data_r7u08sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2023-02-22 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      7u08 
_cell.length_a      142.325 
_cell.length_b      142.325 
_cell.length_c      57.722 
_cell.angle_alpha   90.000 
_cell.angle_beta    90.000 
_cell.angle_gamma   120.000 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97850 
# 
_entry.id   7u08 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               7u08 
_symmetry.space_group_name_H-M   "P 65 2 2" 
_symmetry.Int_Tables_number      179 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.pdbx_r_free_flag 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.pdbx_HL_A_iso 
_refln.pdbx_HL_B_iso 
_refln.pdbx_HL_C_iso 
_refln.pdbx_HL_D_iso 
_refln.pdbx_F_calc_with_solvent 
_refln.pdbx_phase_calc_with_solvent 
_refln.pdbx_FWT 
_refln.pdbx_PHWT 
_refln.pdbx_DELFWT 
_refln.pdbx_DELPHWT 
1 1 1 0  0  6  o 0 43.2551  0.409921  -0.0773081    9.4672e-018  0             0             2227.72  -5.74025e-016 1955.81  0            348.291  180           
1 1 1 0  0  12 o 0 0        3.01662   -0.00246116   3.01395e-019 0             0             320.42   180           0        0            369.763  -2.68031e-015 
1 1 1 1  0  3  o 0 12.49    0.0756019 0.0427171     0            0             0             59.7251  4.75727e-013  207.536  0            136.101  -2.49694e-013 
1 1 1 1  0  4  o 0 41.5006  0.158428  -0.339343     -0.587759    0             0             1929.25  -120          2172.5   -120         137.646  60            
1 1 1 1  0  5  o 0 41.3763  0.160099  -0.13102      0.226933     0             0             1649.45  -60           1777.21  -60          156.624  -60           
1 1 1 1  0  6  o 0 5.45894  0.116555  0.036424      0            0             0             218.368  -180          94.5435  -180         122.786  1.38434e-013  
1 1 1 1  0  7  o 0 20.2312  0.113052  -0.165383     -0.286453    0             0             814.522  60            844.429  60           66.7568  60            
1 1 1 1  0  8  o 0 16.6793  0.1161    -0.0884164    0.153142     0             0             209.977  -60           692.596  -60          450.45   -60           
1 1 1 1  0  9  o 0 5.98331  0.186309  -0.145055     1.77635e-017 0             0             383.584  180           283.551  180          254.747  -3.09976e-014 
1 1 1 1  0  10 o 0 19.0473  0.127767  0.147078      0.254746     0             0             455.469  -120          1086.39  -120         489.417  -120          
1 1 1 1  0  11 o 0 1.09545  0.732977  -0.0218668    0.0378744    0             0             146.459  120           10.256   120          174.082  -60           
1 1 1 1  0  12 o 0 1.54919  0.756218  -0.000976114  1.19536e-019 0             0             40.9033  4.66236e-014  3.87492  0            43.4778  -180          
1 1 1 1  0  13 o 0 4.71169  0.39971   -0.0575516    -0.0996822   0             0             262.253  -120          224.213  -120         46.1332  60            
1 1 1 1  0  14 o 0 1.09545  0.97798   -0.0705505    0.122197     0             0             31.0522  -60           3.36993  120          32.4024  120           
1 1 1 1  0  15 f 1 0        2.48998   -0.107976     1.32229e-017 0             0             3.13829  9.61788e-013  0        0            2.50494  -180          
1 1 1 1  0  16 o 0 1.58114  1.03179   0.182415      0.315952     0             0             14.1707  -120          19.0574  60           31.8908  60            
1 1 1 1  0  17 o 0 3.30151  0.688677  -0.0848861    0.147027     0             0             109.804  -60           126.721  -60          40.0899  -60           
1 1 1 1  1  3  o 0 43.6784  0.166495  -5.74861e-017 -0.31295     0             0             1646.38  -90           2093.31  -90          288.452  -90           
1 1 1 1  1  4  f 1 5.03984  0.0877474 -0.0570093    0.0987431    0             0             648.732  120           215.906  120          500.247  -60           
1 1 1 1  1  5  o 0 41.5187  0.158359  -0.062311     0.0359752    0             0             1698.48  150           1696.29  150          108.978  150           
1 1 1 1  1  6  o 0 7.58288  0.0976417 0.02565       0            0             0             171.546  3.67499e-013  153.046  0            11.3748  -180          
1 1 1 1  1  7  o 0 12.1244  0.106286  0.108518      0.0626528    0             0             436.124  -150          598.686  -150         83.7785  -150          
1 1 1 1  1  8  o 0 20.775   0.124403  -0.255316     -0.44222     0             0             1053.9   -120          1027.28  -120         164.772  60            
1 1 1 1  1  9  o 0 8.67756  0.141716  1.39695e-017  0.0456293    0             0             191.231  90            312.022  90           46.9494  90            
1 1 1 1  1  10 o 0 3.61939  0.339597  0.019529      -0.0338252   0             0             81.5363  -60           31.1641  -60          75.0359  120           
1 1 1 1  1  11 o 0 2.16795  0.539749  0.0174154     -0.0100548   0             0             111.201  -30           24.9186  -30          114.902  150           
1 1 1 1  1  12 o 0 4.43847  0.391909  0.010046      0            0             0             113.927  180           84.2526  180          48.1132  -2.05637e-014 
1 1 1 1  1  13 o 0 0        2.09762   0.00887983    0.00512677   0             0             8.48576  30            0        0            8.8147   -150          
1 1 1 1  1  14 o 0 3.72827  0.574829  -0.0513519    -0.088944    0             0             164.439  60            135.193  60           20.2798  -120          
1 1 1 1  1  15 o 0 0        2.38747   3.13249e-018  0.0102318    0             0             62.7246  90            0        0            51.5731  -90           
1 1 1 1  1  16 o 0 0        2.50998   0.194101      -0.336193    0             0             51.0805  -60           0        0            47.055   120           
1 1 1 1  1  17 o 0 1.92354  0.677458  0.182374      -0.105294    0             0             6.91707  150           8.87382  -30          14.4382  -30           
1 1 1 2  0  3  f 1 8.83742  0.0673775 -0.0284102    3.47913e-018 0             0             251.145  -4.19238e-014 282.522  0            12.6236  8.96349e-013  
1 1 1 2  0  4  o 0 5.36656  0.0825722 -0.00201959   -0.00349804  0             0             327.01   -120          154.698  -120         210.655  60            
1 1 1 2  0  5  o 0 20.693   0.10099   0.112762      -0.19531     0             0             649.313  120           843.065  120          237.887  120           
1 1 1 2  0  6  o 0 30.2589  0.133257  -0.642069     7.86282e-017 0             0             1502.85  180           1264.87  180          172.122  -6.7404e-014  
1 1 1 2  0  7  o 0 4.71169  0.163983  0.00506704    0.00877637   0             0             35.6747  -120          13.1898  -120         28.8341  60            
1 1 1 2  0  8  f 1 9.96494  0.118993  0.00533696    -0.00924389  0             0             299.346  120           396.575  120          63.9006  120           
1 1 1 2  0  9  o 0 8.54985  0.143764  -0.397536     4.86825e-017 0             0             378.613  -180          479.465  -180         44.1355  6.11492e-015  
1 1 1 2  0  10 o 0 2.14476  0.483926  -0.00919574   -0.0159275   0             0             34.55    60            1.22608  60           43.667   -120          
1 1 1 2  0  11 o 0 0        1.67332   -0.00292973   0.00507444   0             0             117.677  120           0        0            147.591  -60           
1 1 1 2  0  12 f 1 8.94427  0.22354   0.0241373     0            0             0             360.871  5.68435e-015  450.945  0            39.1427  -5.98025e-014 
1 1 1 2  0  13 o 0 1.14018  0.883755  -0.00701329   -0.0121474   0             0             129.307  60            15.5826  60           118.368  -120          
1 1 1 2  0  14 o 0 2.16795  0.833936  0.0263012     -0.0455549   0             0             105.57   -60           45.955   -60          53.5725  120           
1 1 1 2  0  15 o 0 3.04959  0.703357  -0.28807      3.52772e-017 0             0             77.4348  -8.70855e-015 63.6989  0            0.220424 2.50792e-012  
1 1 1 2  0  16 o 0 0.83666  0.948962  0.0013973     0.0024202    0             0             63.4882  60            7.31361  60           50.9911  -120          
1 1 1 2  0  17 o 0 0        1.87083   -0.110953     0.192176     0             0             57.2047  120           0        0            45.8719  -60           
1 1 1 2  1  3  o 0 26.752   0.591067  0.71178       2.83279      1.03599       -1.27512      1226.89  139.308       1074.03  135.366      169.645  -14.8877      
1 1 1 2  1  4  o 0 20.1051  1.19928   0.45717       6.54241      2.15779       0.0518238     944.217  50.6338       797.607  49.8291      186.847  -125.929      
1 1 1 2  1  5  o 0 38.2632  0.419071  -0.426313     0.202725     -0.0873916    -0.00924886   1248.75  -136.136      1812.04  -136.824     709.024  -137.894      
1 1 1 2  1  6  o 0 37.0963  0.623816  0.746274      1.84815      0.572549      -0.0888032    1560.8   37.7841       1512.56  37.5131      79.9687  32.6506       
1 1 1 2  1  7  o 0 31.7162  0.101601  0.293573      0.314558     0.0235802     0.21245       1214.69  166.758       1726.17  166.784      337.884  166.892       
1 1 1 2  1  8  o 0 6.04121  0.31544   -0.415128     2.73247      0.852856      0.41076       276.189  88.0835       136.844  88.6138      168.236  -92.3478      
1 1 1 2  1  9  o 0 4.00734  0.17985   0.573694      -0.060256    -0.116106     -0.00437406   158.004  5.65244       24.5574  -94.9422     221.305  -168.086      
1 1 1 2  1  10 o 0 8.44833  0.119104  -0.370057     0.439611     0.71637       -0.0522733    325.139  139.18        380.148  165.243      184.245  -105.846      
1 1 1 2  1  11 o 0 4.03143  0.240816  0.221339      0.635767     0.484345      0.0595174     279.189  -1.47325      83.2261  96.5472      370.36   165.67        
1 1 1 2  1  12 f 1 11.5026  0.131843  0.157562      0.305528     -0.145283     -0.0255908    458.3    133.231       583.906  126.014      91.5519  79.9819       
1 1 1 2  1  13 f 1 1.23871  0.728239  0.0944105     -0.516471    0.042769      0.00119279    117.391  71.574        113.707  -100.628     233.784  -104.642      
1 1 1 2  1  14 o 0 1.39351  0.704756  0.293701      -0.0788783   0.0345082     -0.0044868    113.318  -0.147879     54.532   -175.532     162.427  -178.6        
1 1 1 2  1  15 o 0 2.15281  0.63666   0.242994      -0.0392183   0.0026795     0.00287027    96.6331  -30.5378      33.7523  -20.3671     47.5123  142.256       
1 1 1 2  1  16 < 0 0        1.51764   -0.334848     0.259058     0.0144984     -0.0011283    ?        ?             26.0983  53.9213      ?        ?             
1 1 1 2  1  17 f 1 1.15057  0.675064  0.244515      -0.249685    0.00105617    -0.00212091   33.6993  98.9471       18.0028  -49.9454     43.5619  -68.7245      
1 1 1 2  2  3  o 0 13.2966  0.0747853 -2.38084e-018 -0.0129611   0             0             1223.1   90            561.766  90           620.259  -90           
1 1 1 2  2  4  o 0 3.01662  0.127127  -0.00412761   0.00714923   0             0             395.393  -60           55.8403  -60          341.159  120           
1 1 1 2  2  5  o 0 103.068  0.346659  0.895364      -0.516939    0             0             3781.1   -30           3844.28  -30          618.362  -30           
1 1 1 2  2  6  f 1 4.86826  0.13      -0.0881943    1.08003e-017 0             0             25.8919  0             7.67991  180          30.3942  -180          
1 1 1 2  2  7  o 0 20.3912  0.119448  0.00650144    0.00375361   0             0             432.169  30            991.845  30           509.913  30            
1 1 1 2  2  8  o 0 17.6946  0.12068   0.00883979    0.015311     0             0             1241.76  -120          838.285  -120         507.372  60            
1 1 1 2  2  9  o 0 4.77493  0.219997  7.41531e-019  0.00242211   0             0             397.937  -90           174.452  -90          360.749  90            
1 1 1 2  2  10 o 0 8.04984  0.176227  0.0271194     -0.0469722   0             0             235.403  -60           294.068  -60          6.79657  120           
1 1 1 2  2  11 o 0 9.65401  0.167965  -0.226887     0.130993     0             0             384.113  -30           524.998  -30          46.2943  -30           
1 1 1 2  2  12 o 0 2.66458  0.537058  -0.0189033    2.31491e-018 0             0             60.9986  2.56047e-014  14.8758  0            56.0027  -180          
1 1 1 2  2  13 o 0 0        2.07364   -0.0376322    -0.0217269   0             0             14.7991  -150          0        0            15.4981  30            
1 1 1 2  2  14 o 0 0.83666  0.958969  -0.0164354    -0.0284669   0             0             57.9011  -120          4.95352  -120         50.6333  60            
1 1 1 2  2  15 o 0 2.66458  0.682996  -1.541e-018   -0.0083891   0             0             2.18101  90            1.41928  90           0.413221 -90           
1 1 1 2  2  16 o 0 2.25832  0.736174  -0.00420926   0.00729065   0             0             88.4992  120           65.5896  120          18.192   -60           
1 1 1 2  2  17 o 0 1.67332  0.787244  -0.376902     0.217604     0             0             75.7003  -30           29.6301  -30          33.2663  150           
1 1 1 3  0  3  o 0 3.01662  0.080687  0.0427748     0            0             0             907.121  180           102.245  180          817.148  -4.31748e-014 
1 1 1 3  0  4  o 0 9.33274  0.0744092 -0.108207     -0.18742     0             0             370.313  60            344.571  60           44.2566  -120          
1 1 1 3  0  5  o 0 15.6748  0.085656  -0.0221142    0.038303     0             0             439.546  120           601.86   120          212.236  120           
1 1 1 3  0  6  o 0 34.2972  0.145169  0.112652      0            0             0             1647.45  180           1377.83  180          136.062  -5.41875e-014 
1 1 1 3  0  7  o 0 11.6189  0.1066    -0.10299      -0.178385    0             0             372.303  60            520.27   60           95.0094  60            
1 1 1 3  0  8  o 0 23.4989  0.124872  -0.254821     0.441364     0             0             1007.28  120           1132.85  120          22.0921  120           
1 1 1 3  0  9  o 0 10.247   0.13484   0.0209043     0            0             0             290.465  -9.29946e-016 501.099  0            105.966  3.46766e-015  
1 1 1 3  0  10 f 1 11.5369  0.141279  0.0912665     0.158078     0             0             439.205  60            629.191  60           73.1604  60            
1 1 1 3  0  11 o 0 8.60233  0.193231  0.00508564    -0.00880858  0             0             497.375  120           471.602  120          148.754  -60           
1 1 1 3  0  12 o 0 7.86766  0.246369  0.0165773     0            0             0             456.073  -9.3382e-016  398.591  0            129.351  180           
1 1 1 3  0  13 o 0 0        2.02485   0.00529089    0.00916409   0             0             24.2313  60            0        0            25.1752  -120          
1 1 1 3  0  14 f 1 4.04969  0.540282  -0.0809891    0.140277     0             0             100.564  -60           104.508  -60          10.5393  -60           
1 1 1 3  0  15 o 0 0        2.21359   -0.0746747    9.14471e-018 0             0             110.72   -180          0        0            91.6382  1.40616e-014  
1 1 1 3  0  16 o 0 1        1.00498   0.211582      0.36647      0             0             60.4763  -120          8.87337  60           65.1008  60            
1 1 1 3  0  17 o 0 0.547723 0.827374  -0.0311941    0.0540298    0             0             58.3531  120           6.19025  120          41.2974  -60           
1 1 1 3  1  3  o 0 22.9602  0.285691  0.489037      -0.608571    -0.378982     0.550941      1100.39  -108.266      801.461  -106.795     223.487  66.4508       
1 1 1 3  1  4  o 0 14.0342  0.290614  -0.950682     0.00524437   -0.718123     -0.380863     639.662  -170.534      463.698  -179.333     182.834  32.2912       
1 1 1 3  1  5  o 0 25.0112  0.23087   0.816517      0.462557     -0.612029     -0.121165     1142.28  -122.859      839.751  -114.03      182.381  12.1682       
1 1 1 3  1  6  o 0 16.6925  0.0705695 0.463959      0.231871     0.041739      1.37349       423.783  10.9291       857.77   32.0476      526.951  46.8377       
1 1 1 3  1  7  o 0 30.5924  0.274126  1.74926       1.38082      0.703658      -0.942781     1264.46  33.812        1515.53  27.3668      200.839  -24.0819      
1 1 1 3  1  8  o 0 19.1704  0.366972  2.47234       -1.14959     -0.642299     0.322372      799.497  12.274        871.699  6.13924      93.2899  -74.6495      
1 1 1 3  1  9  o 0 3.17555  0.411185  -2.46422      2.80826      0.0277499     0.750736      116.552  30.8438       325.014  150.599      424.73   169.213       
1 1 1 3  1  10 o 0 12.6212  0.0997813 -0.512012     -0.351946    -0.119027     -0.0418243    535.706  -105.871      599.163  -111.011     101.426  106.083       
1 1 1 3  1  11 o 0 4.10318  0.26298   1.17361       -0.0976058   -0.168331     0.0830527     242.072  -135.513      217.996  -8.8052      465.456  22.4335       
1 1 1 3  1  12 o 0 6.94802  0.196743  -0.405379     0.15259      -0.0362891    0.00578104    156.293  -178.709      324.153  174.555      145.615  166.155       
1 1 1 3  1  13 o 0 5.43661  0.266561  -0.223996     -0.37048     -0.0324239    -0.0406102    178.449  -51.0765      278.402  -60.8146     99.548   -79.3084      
1 1 1 3  1  14 < 0 0        1.5565    -0.200839     -0.000785455 -0.00558105   0.00754894    ?        ?             229.621  -159.096     ?        ?             
1 1 1 3  1  15 o 0 1.52618  0.684941  0.190611      -0.19794     0.00581084    -0.00579004   44.4589  57.4986       19.622   -67.0741     51.0875  -104.065      
1 1 1 3  1  16 f 1 2.55262  0.979199  -0.193062     -0.520395    -0.00529674   -0.00613606   121.996  -51.8288      72.9602  -78.8498     58.8884  162.426       
1 1 1 3  1  17 o 0 2.85546  1.01385   0.361857      -0.46051     0.00488339    0.000161427   95.8206  -116.873      125.298  -104.967     50.1982  -85.8779      
1 1 1 3  2  3  o 0 40.3018  0.433127  0.723045      2.1919       2.29442       0.815135      1765.13  6.80141       1561.37  11.3889      129.102  111.493       
1 1 1 3  2  4  o 0 62.8632  0.538103  0.753346      -3.02549     -0.363286     2.39714       2511.76  -126.722      2796.72  -125.326     431.55   -117.637      
1 1 1 3  2  5  o 0 39.5234  1.41393   2.84843       4.87176      0.225861      -0.81964      1902.04  41.7426       1235.5   44.144       310.397  -147.858      
1 1 1 3  2  6  o 0 20.12    0.0778179 0.743196      0.174669     -0.557528     0.781651      882.999  -116.291      703.168  -112.509     70.0006  22.208        
1 1 1 3  2  7  o 0 4.89023  0.721388  8.08993       -3.90541     -1.48254      1.70552       403.345  -68.8855      191.172  42.7423      535.791  91.7435       
1 1 1 3  2  8  o 0 4.77272  0.139334  0.147256      0.0540265    -0.0323917    -0.0789819    154.827  140.307       62.77    -10.8482     220.614  -31.8036      
1 1 1 3  2  9  o 0 7.83662  0.435232  -4.37478      12.1031      2.52804       1.70695       213.207  90.5226       551.79   120.296      337.755  144.74        
1 1 1 3  2  10 o 0 5.62171  0.163944  0.0237751     -0.0210626   0.00353395    0.000118361   167.217  171.799       8.80974  -44.4899     218.245  -9.57029      
1 1 1 3  2  11 o 0 4.60723  0.228023  0.252215      0.377829     -0.00946239   -0.0580627    321.32   179.012       85.4125  58.5195      447.137  8.48625       
1 1 1 3  2  12 o 0 9.96817  0.14244   0.121931      0.00201465   -0.0057459    -0.0121439    374.388  -9.13903      495.357  -9.12106     61.1867  -8.99357      
1 1 1 3  2  13 o 0 3.54505  0.389306  -0.114999     -0.0695715   -0.00763908   0.00658578    140.014  -128.422      105.153  -131.011     42.2053  58.0395       
1 1 1 3  2  14 < 0 0        1.58895   -0.0234794    0.0928568    -0.00126198   -0.00631257   ?        ?             77.7304  78.8669      ?        ?             
1 1 1 3  2  15 < 0 0        1.58895   -0.413565     -0.0781031   0.0240175     -0.00854405   ?        ?             93.3248  -159.209     ?        ?             
1 1 1 3  2  16 o 0 2.66246  0.556008  0.212393      0.0520941    0.000561981   0.000656229   52.0211  111.029       64.2192  89.2063      25.7789  43.2038       
1 1 1 3  2  17 < 0 0        1.4908    0.0951297     0.103202     -0.000242946  0.000375292   ?        ?             61.4112  19.7608      ?        ?             
1 1 1 3  3  2  o 0 52.073   0.203722  0.268324      0.464752     0             0             1287.34  60            2018.18  60           876.916  60            
1 1 1 3  3  3  o 0 10.9179  0.0682665 -2.5879e-017  -0.140884    0             0             267.78   90            325.181  90           83.1716  90            
1 1 1 3  3  4  f 1 4.04969  0.0964484 -0.0135325    0.0234389    0             0             234.952  120           50.7227  120          129.086  -60           
1 1 1 3  3  5  o 0 44.8252  0.171124  -0.151549     0.0874969    0             0             2323.06  150           1555.62  150          288.49   -30           
1 1 1 3  3  6  o 0 7.23878  0.102157  0.0267137     0            0             0             97.9283  8.85427e-014  76.7993  0            5.05693  -180          
1 1 1 3  3  7  o 0 6.43428  0.129473  0.160136      0.0924544    0             0             166.832  -150          66.4398  -150         109.898  30            
1 1 1 3  3  8  o 0 9.44987  0.125313  -0.169018     -0.292747    0             0             511.204  60            389.432  60           141.178  -120          
1 1 1 3  3  9  o 0 7.75242  0.157987  2.40667e-017  0.0786104    0             0             32.5597  -90           8.07952  -90          34.2967  90            
1 1 1 3  3  10 o 0 7.12039  0.198054  -0.0281472    0.0487523    0             0             494.128  120           386.106  120          226.248  -60           
1 1 1 3  3  11 o 0 3.4785   0.408974  0.0588721     -0.0339898   0             0             28.9     150           2.1527   150          33.3669  -30           
1 1 1 3  3  12 o 0 0        1.89737   0.00269772    0            0             0             50.2645  180           0        0            58.0922  -1.03449e-014 
1 1 1 3  3  13 o 0 5.74456  0.390346  0.0950772     0.0548929    0             0             173.295  -150          269.915  -150         87.9847  -150          
1 1 1 3  3  14 o 0 0        2.21359   0.0288282     0.0499319    0             0             32.188   -120          0        0            31.2021  60            
1 1 1 3  3  15 o 0 1.89737  0.798271  3.91216e-017  0.127785     0             0             9.43116  90            15.0309  90           6.97696  90            
1 1 1 3  3  16 o 0 1.51658  0.956611  0.069121      -0.119721    0             0             59.6288  -60           31.2978  -60          26.4191  120           
1 1 1 3  3  17 o 0 1.92354  0.818005  0.355326      -0.205147    0             0             28.9616  150           1.31449  -30          26.0497  -30           
1 1 1 4  0  3  o 0 17.0763  0.0844939 0.0883605     0            0             0             369.126  1.68774e-014  706.584  0            352.554  -1.69481e-014 
1 1 1 4  0  4  o 0 21.2344  0.0961055 0.0909828     0.157587     0             0             802.279  60            924.754  60           125.548  60            
1 1 1 4  0  5  f 1 27.6062  0.12082   0.23945       -0.41474     0             0             1457.65  120           1022.01  120          193.561  -60           
1 1 1 4  0  6  o 0 4.20714  0.149119  -0.151029     1.84952e-017 0             0             640.426  180           134.924  180          431.629  -6.83857e-014 
1 1 1 4  0  7  o 0 8.74643  0.112866  0.0154365     0.0267369    0             0             640.549  -120          411.559  -120         298.022  60            
1 1 1 4  0  8  o 0 9.01665  0.131165  -0.0451228    0.078155     0             0             462.583  -60           385.032  -60          113.036  120           
1 1 1 4  0  9  o 0 5.81378  0.183333  0.213953      0            0             0             381.878  -180          191.551  -180         318.79   2.6414e-014   
1 1 1 4  0  10 o 0 7.4162   0.190558  0.0461507     0.0799353    0             0             325.06   60            316.648  60           96.1558  -120          
1 1 1 4  0  11 o 0 1.78885  0.615304  -0.00869028   0.015052     0             0             70.0614  -60           7.94732  -60          78.8024  120           
1 1 1 4  0  12 o 0 4.30116  0.421592  0.00663677    0            0             0             152.998  -2.78045e-015 105.579  0            71.0253  180           
1 1 1 4  0  13 o 0 3.30151  0.583862  -0.0201976    -0.0349832   0             0             125.908  -120          114.679  -120         16.2833  60            
1 1 1 4  0  14 o 0 0        2.14476   -0.0167109    0.0289442    0             0             102.949  120           0        0            98.1486  -60           
1 1 1 4  0  15 o 0 0        2.04939   0.0840393     0            0             0             5.80046  180           0        0            4.83891  -1.70653e-013 
1 1 1 4  0  16 o 0 1.84391  0.843934  0.018789      0.0325435    0             0             120.966  -120          55.1092  -120         58.5733  60            
1 1 1 4  0  17 o 0 0        2.04939   -0.188749     0.326923     0             0             30.697   -60           0        0            25.3147  120           
1 1 1 4  1  2  o 0 49.188   0.141803  -0.901717     0.38624      1.06899       0.186447      1801.59  170.349       2058.3   171.448      557.819  174.41        
1 1 1 4  1  3  f 1 22.7575  2.45751   -12.3836      -13.5535     0.731175      -4.09532      1197.7   -107.148      692.228  -119.74      399.036  95.0734       
1 1 1 4  1  4  o 0 34.2718  0.345479  0.747277      1.91743      2.53686       0.764686      1175.37  -159.802      1669.67  -168.462     609.239  175.827       
1 1 1 4  1  5  o 0 44.6411  0.119598  0.00760938    0.496095     -0.0985515    -0.197707     1537.53  161.793       1869.19  160.185      636.663  157.066       
1 1 1 4  1  6  o 0 23.3029  0.485956  4.60396       0.514478     -1.51286      -0.948907     1103.89  -6.45961      752.649  -14.9564     221.629  -156.342      
1 1 1 4  1  7  o 0 18.5718  0.655023  -6.85762      -4.95483     -0.305732     -2.49655      634.669  -92.5048      1002.3   -107.988     391.09   -135.675      
1 1 1 4  1  8  o 0 13.7111  0.0831636 0.983869      -0.418406    3.62734       0.324623      743.714  24.7563       522.236  -14.6501     503.2    -114.033      
1 1 1 4  1  9  o 0 6.82734  0.121656  0.321302      -0.239164    -0.148069     0.125732      150.805  174.115       100.328  -73.1782     254.494  -27.2108      
1 1 1 4  1  10 o 0 8.37252  0.126451  -0.349716     0.254705     0.0134763     0.0536331     274.487  -119.325      291.892  -151.014     181.435  118.357       
1 1 1 4  1  11 o 0 3.49201  0.285645  -0.481995     -0.29757     -0.0517886    -0.0455773    69.3817  25.776        119.262  -148.635     204.653  -150.97       
1 1 1 4  1  12 o 0 9.47588  0.22153   -0.200763     0.262035     -0.00130477   0.0135713     371.148  -175.819      448.627  179.193      42.8169  118.519       
1 1 1 4  1  13 f 1 1.83172  0.88274   0.304824      -0.0623351   -0.00946607   0.0100692     88.8586  -18.0019      14.3322  150.241      105.704  160.415       
1 1 1 4  1  14 o 0 2.89449  0.640652  0.161079      0.00364118   -0.00115124   -0.0017084    86.1763  96.147        39.0881  68.0319      51.9571  -63.0888      
1 1 1 4  1  15 o 0 1.2637   0.768338  0.209664      0.00289383   0.00266366    -0.00329293   81.6202  -32.2109      25.6909  135.768      94.3704  144.539       
1 1 1 4  1  16 o 0 1.72252  0.826439  -0.467083     -0.257433    0.00962768    -0.000651216  35.9031  38.3941       40.4931  -151.646     74.5574  -147.039      
1 1 1 4  1  17 f 1 1.33903  0.682148  -0.059346     -0.448597    -0.00330748   -0.00327319   37.738   -153.315      24.5567  -104.159     24.0214  -23.9714      
1 1 1 4  2  2  f 1 39.9736  1.00285   1.59863       -1.68641     -0.163776     0.46008       1616.15  -69.1227      1531.87  -69.0911     227.174  -68.9099      
1 1 1 4  2  3  o 0 4.88815  0.250695  -0.2172       -0.0368266   -0.0518848    -0.0084258    477.162  22.6226       187.405  -160.572     596.438  -158.381      
1 1 1 4  2  4  o 0 16.0396  0.506198  0.713853      1.13127      0.0700779     -0.403948     798.902  73.5679       399.769  75.7095      200.192  -110.712      
1 1 1 4  2  5  f 1 20.8891  1.87667   12.6204       11.4624      0.0332958     -4.64425      778.712  76.2131       782.028  64.2065      235.958  32.6268       
1 1 1 4  2  6  o 0 7.27851  0.806914  -0.658788     -12.9522     4.25117       -0.176268     642.557  -128.289      62.9145  10.7304      577.085  47.611        
1 1 1 4  2  7  o 0 21.3471  0.0840662 0.0108528     -0.0945221   0.0109797     -0.0053373    1027.07  -150.149      818.427  -149.638     254.878  28.2088       
1 1 1 4  2  8  o 0 10.7243  0.141319  -0.890252     1.30574      0.00307571    0.627302      653.086  -155.001      241.598  175.948      476.196  39.2607       
1 1 1 4  2  9  f 1 3.35198  0.218509  -0.0125507    2.51683      0.964032      -0.162019     175.027  -161.922      297.898  69.0024      471.621  47.4421       
1 1 1 4  2  10 o 0 10.5009  0.242505  1.57939       -1.93093     -0.0673185    0.587891      368.482  -22.4021      602.809  -31.2352     168.044  -55.8267      
1 1 1 4  2  11 o 0 6.23322  0.286174  0.24182       0.47572      0.00982328    -0.0206827    226.493  102.986       252.568  88.5113      71.4654  -14.965       
1 1 1 4  2  12 o 0 5.69294  0.228173  -0.0479948    -0.00273739  -0.0007217    -0.000518259  292.601  138.652       115.294  141.436      223.078  -42.7857      
1 1 1 4  2  13 o 0 7.8141   0.212278  0.00570828    -0.206455    0.00761328    0.00729386    346.622  97.0917       365.337  97.2043      1.3436   129.398       
1 1 1 4  2  14 o 0 3.2888   0.462773  0.369913      -0.075321    -0.00476136   -0.0182647    163.322  -55.8777      72.9796  -36.7269     92.7526  109.164       
1 1 1 4  2  15 o 0 2.1689   0.739966  -0.421403     0.174656     0.00933041    0.00530401    106.905  162.795       38.7814  159.85       52.7746  -15.0416      
1 1 1 4  2  16 o 0 1.78967  0.847935  -0.0395367    0.0896115    0.000121935   -0.000413426  33.3283  114.594       11.4152  114.085      20.9159  -65.1287      
1 1 1 4  2  17 o 0 1.79421  0.576604  -0.800718     0.841906     -0.00121125   -0.0118233    124.279  70.9737       40.2324  133.05       94.4955  -131.124      
1 1 1 4  3  1  o 0 8.04027  1.34068   -4.7225       -4.60119     -0.150326     -1.84171      792.244  -100.948      140.198  105.607      819.904  83.4362       
1 1 1 4  3  2  o 0 29.7886  1.63531   1.72546       3.11691      0.132295      -0.322903     1555.81  -22.9465      865.484  -10.2128     502.219  134.729       
1 1 1 4  3  3  o 0 16.9928  0.399994  -1.54426      -2.12761     2.34589       -2.55871      816.161  174.898       550.44   165.34       181.653  25.1057       
1 1 1 4  3  4  o 0 48.9004  0.143447  0.8751        -0.389992    0.448326      0.35928       1988.82  28.2892       1670.17  26.7534      204.419  15.6403       
1 1 1 4  3  5  o 0 70.4015  0.646077  -2.00162      0.432677     -0.462684     -0.437348     2682.05  -100.919      2736.72  -101.549     611.276  -103.739      
1 1 1 4  3  6  o 0 13.1501  0.648312  4.1862        4.61498      0.359153      -1.52324      699.191  41.8859       306.156  37.3473      258.275  -132.732      
1 1 1 4  3  7  o 0 9.49474  0.0810809 0.0310671     0.135248     -0.130806     -0.101744     486.042  49.1075       222.195  62.1339      285.529  -140.995      
1 1 1 4  3  8  o 0 3.59474  0.37426   -2.50289      4.17054      0.454954      1.03301       169.621  86.7718       126.651  149.722      160.395  -137.916      
1 1 1 4  3  9  o 0 12.6747  0.248118  -1.99204      -5.17024     0.767411      -1.15496      361.65   -78.0699      842.418  -88.9184     398.601  -101.509      
1 1 1 4  3  10 o 0 2.44653  0.329155  -0.159424     0.762739     0.205457      0.0270454     234.312  23.9207       179.338  -179.259     456.78   -164.969      
1 1 1 4  3  11 o 0 5.86585  0.188534  0.19392       -0.95975     0.306783      0.000425146   296.722  -39.9982      171.485  -51.5956     196.701  150.096       
1 1 1 4  3  12 o 0 6.32086  0.343252  -2.79192      0.215658     -0.495279     -0.0624007    184.196  -122.121      366.461  -172.405     282.75   152.348       
1 1 1 4  3  13 o 0 1.86058  0.610778  0.00308231    0.158302     0.00696101    0.00668823    188.288  76.6507       84.8507  -104.634     282.685  -103.735      
1 1 1 4  3  14 f 1 4.3963   0.366941  0.343405      -0.245559    0.0224843     -0.0214793    205.556  -9.60959      150.068  -16.0752     50.9649  -170.245      
1 1 1 4  3  15 o 0 2.70957  0.539141  0.571422      -0.144975    0.017009      -0.00358495   117.601  -137.473      66.2587  -103.623     59.1845  3.94724       
1 1 1 4  3  16 o 0 0.711666 0.761137  -0.15055      -0.0217686   0.000674665   6.19017e-005  84.0531  -15.8919      58.1468  166.051      138.746  164.922       
1 1 1 4  3  17 o 0 2.07752  0.982279  0.667349      -0.148457    -0.00215534   -0.00494056   56.4651  48.3997       80.7525  21.6571      43.095   -9.07882      
1 1 1 4  4  0  o 0 39.8635  0.238141  0.110323      0            0             0             2044.16  -180          1916.54  -180         331.494  3.4084e-014   
1 1 1 4  4  1  o 0 34.3176  0.145083  0.513785      0.296634     0             0             1554.51  30            1414.74  30           51.1431  -150          
1 1 1 4  4  2  o 0 13.1529  0.0793499 -0.069064     -0.119622    0             0             369.849  -120          489.448  -120         163.034  -120          
1 1 1 4  4  3  o 0 5.26308  0.0749268 -5.36243e-018 -0.0291927   0             0             187.91   -90           78.0349  -90          86.3891  90            
1 1 1 4  4  4  o 0 4.40454  0.110702  -0.0109973    0.0190479    0             0             527.243  -60           99.9903  -60          290.435  120           
1 1 1 4  4  5  o 0 30.5418  0.133656  0.235705      -0.136085    0             0             1016.98  -30           1049.18  -30          250.058  -30           
1 1 1 4  4  6  o 0 13.1643  0.10176   -0.0747346    9.15204e-018 0             0             659.961  180           455.478  180          67.9769  -1.58656e-014 
1 1 1 4  4  7  o 0 6.79706  0.136978  -0.0458752    -0.0264861   0             0             99.9264  -150          91.0001  -150         9.70292  30            
1 1 1 4  4  8  o 0 1.94936  0.380029  0.00559435    0.0096897    0             0             364.969  -120          28.1057  -120         441.747  60            
1 1 1 4  4  9  o 0 2.14476  0.405367  2.9505e-018   0.00963739   0             0             58.7656  90            6.84198  90           67.1282  -90           
1 1 1 4  4  10 o 0 12.494   0.146347  0.138365      -0.239655    0             0             517.143  -60           664.984  -60          40.2317  -60           
1 1 1 4  4  11 o 0 6.34035  0.235551  -0.116798     0.0674332    0             0             144.406  150           234.56   150          60.1629  150           
1 1 1 4  4  12 o 0 0        1.94936   -0.00273127   3.34473e-019 0             0             159.764  3.01856e-015  0        0            182.846  -180          
1 1 1 4  4  13 o 0 8.52643  0.261599  -0.250589     -0.144678    0             0             173.217  30            412.918  30           231.497  30            
1 1 1 4  4  14 o 0 1.81659  0.906706  -0.0409069    -0.0708528   0             0             17.0201  60            1.47077  -120         18.0469  -120          
1 1 1 4  4  15 o 0 1.41421  0.972029  -2.71456e-018 -0.0147778   0             0             8.24029  -90           3.41833  -90          3.69833  90            
1 1 1 4  4  16 o 0 0        2.09762   -0.000991752  0.00171776   0             0             76.0745  120           0        0            73.3657  -60           
1 1 1 4  4  17 o 0 0        2.28035   -0.374929     0.216465     0             0             46.1865  150           0        0            40.3633  -30           
1 1 1 5  0  2  o 0 35.6847  0.152077  0.124944      -0.216409    0             0             661.108  120           1390.43  120          801.2    120           
1 1 1 5  0  3  o 0 11.6146  0.0727266 0.186337      0            0             0             152.881  -1.39e-013    327.978  0            186.998  1.04793e-013  
1 1 1 5  0  4  o 0 34.6324  0.136615  -0.234236     -0.405709    0             0             1753.72  60            1444.85  60           228.734  -120          
1 1 1 5  0  5  o 0 28.6444  0.123401  -0.0463467    0.0802748    0             0             1186.56  -60           1018.52  -60          53.4362  -60           
1 1 1 5  0  6  o 0 12.4218  0.0918971 0.195403      0            0             0             316.359  180           401.196  180          131.057  -180          
1 1 1 5  0  7  o 0 7.81025  0.119784  -0.00538645   -0.00932961  0             0             332.271  -120          280.755  -120         76.55    60            
1 1 1 5  0  8  o 0 3.72827  0.227133  -0.0405773    0.0702819    0             0             333.523  120           86.8597  120          263.727  -60           
1 1 1 5  0  9  o 0 13.1529  0.131724  -0.315539     3.86411e-017 0             0             426.999  4.44933e-015  717.277  0            157.133  -1.58609e-014 
1 1 1 5  0  10 o 0 17.3983  0.131204  0.235159      0.407307     0             0             837.353  60            952.988  60           96.1692  -120          
1 1 1 5  0  11 f 1 2.09762  0.550452  0.0334062     -0.0578613   0             0             122.293  -60           29.519   -60          118.296  120           
1 1 1 5  0  12 o 0 8.23408  0.230289  -0.0296368    3.62934e-018 0             0             334.061  -1.08148e-015 405.592  0            21.6923  1.91395e-014  
1 1 1 5  0  13 o 0 4.02492  0.51392   0.0436493     0.0756028    0             0             180.71   -120          173.393  -120         14.4805  60            
1 1 1 5  0  14 o 0 2.68328  0.725716  -0.0948665    0.164314     0             0             1.34456  120           23.2824  120          21.9966  120           
1 1 1 5  0  15 f 1 0        2.32379   -0.14814      1.81414e-017 0             0             36.1689  9.5507e-015   0        0            29.9019  -180          
1 1 1 5  0  16 f 1 2.62678  0.874548  0.130369      0.225806     0             0             98.381   60            100.652  60           8.75858  60            
1 1 1 5  0  17 o 0 0        2.44949   0.0639419     -0.110751    0             0             40.5281  120           0        0            33.8201  -60           
1 1 1 5  1  2  o 0 32.8332  1.14037   6.25625       -1.47383     -1.73248      1.52883       858.916  58.8056       1626.57  47.0253      946.23   38.2601       
1 1 1 5  1  3  o 0 5.64171  1.64428   4.83994       -5.90992     0.264211      1.53866       75.724   -139.242      357.25   -46.7498     365.873  -36.5355      
1 1 1 5  1  4  o 0 22.5089  0.601524  0.280051      0.00979682   -0.0155042    -0.00566966   1286.76  -7.27934      476.767  -7.06625     486.328  172.512       
1 1 1 5  1  5  o 0 13.9797  0.386044  0.412201      1.03676      0.189848      -0.362602     276.1    -132.337      410.549  -162.311     249.691  172.431       
1 1 1 5  1  6  o 0 18.157   0.154915  0.320146      0.879813     0.756566      0.174841      653.413  131.266       689.406  135.865      161.662  151.261       
1 1 1 5  1  7  f 1 23.8439  0.236838  1.66436       -1.36138     0.303167      0.723696      840.522  42.3345       1263.39  28.9457      469.472  3.78839       
1 1 1 5  1  8  o 0 13.5016  0.119843  1.08573       -3.44309     1.65726       4.52689       636.205  -133.316      534.448  -135.62      120.919  56.9173       
1 1 1 5  1  9  o 0 1.89776  0.338706  0.262585      0.0451298    -0.182335     0.0446831     177.366  31.6108       178.473  -146.532     407.327  -147.575      
1 1 1 5  1  10 f 1 3.2145   0.575045  -0.833849     -1.06737     0.0102017     -0.0788624    260.514  -166.947      108.219  -38.8334     392.056  0.509367      
1 1 1 5  1  11 o 0 10.6382  0.154051  -1.23772      0.936318     0.0732278     0.423235      332.313  18.4033       668.053  44.9593      354.592  75.7857       
1 1 1 5  1  12 o 0 3.87363  0.321102  -0.343824     -0.215283    -0.203182     0.0118619     77.5982  -142.698      65.6793  -135.36      25.6121  18.1829       
1 1 1 5  1  13 o 0 4.16989  0.9629    0.778815      0.706847     -0.0108858    -0.0282856    150.131  84.8453       189.032  64.0851      69.8194  11.172        
1 1 1 5  1  14 o 0 2.04323  0.958428  -0.193914     -0.0370863   -0.00304944   0.00152488    17.7114  -93.9891      17.4294  179.881      23.596   133.485       
1 1 1 5  1  15 o 0 1.89456  0.657538  0.189179      0.0967264    0.00258887    -0.000123579  71.1849  -23.7893      19.5099  11.2885      46.0757  142.127       
1 1 1 5  1  16 o 0 1.71589  0.868673  0.205678      0.0694773    0.00107016    -0.000908421  29.7432  169.562       15.4798  137.645      17.0829  18.1862       
1 1 1 5  1  17 o 0 1.70034  0.813466  0.0285088     -0.621759    -0.000287332  -0.00101808   71.1241  -153.022      46.0498  -115.554     36.9407  -22.3379      
1 1 1 5  2  0  o 0 12.6016  0.0866921 -0.0340793    4.17337e-018 0             0             1192.27  -1.02847e-014 509.86   0            593.6    180           
1 1 1 5  2  1  o 0 46.6798  0.131341  0.4126        0.774221     -1.06942      0.163731      1519.8   86.4082       2072.6   85.7617      826.414  84.7866       
1 1 1 5  2  2  o 0 12.6573  0.786381  1.25199       0.458804     -0.17498      -0.111497     762.098  -68.0588      247.001  -36.6177     422.746  94.1967       
1 1 1 5  2  3  o 0 20.0969  1.50171   3.62497       -11.2662     3.65035       1.9933        222.987  -125.724      1130.41  -104.561     960.011  -100.567      
1 1 1 5  2  4  f 1 24.8574  2.01982   -10.242       7.80157      -0.380024     2.38494       1671.45  111.114       374.403  129.794      842.814  -77.0655      
1 1 1 5  2  5  o 0 26.9522  0.272229  -0.366444     0.312049     0.0713957     0.0963831     1427.22  15.533        693.546  17.9727      420.524  -168.493      
1 1 1 5  2  6  o 0 14.091   0.580913  -4.8474       1.48544      -1.19417      0.552134      579.911  136.33        458.535  140.659      34.7858  -127.956      
1 1 1 5  2  7  o 0 2.35834  0.580589  4.49802       -1.75819     -1.15973      0.981972      83.6759  22.2758       105.256  -53.1224     117.394  -97.5374      
1 1 1 5  2  8  o 0 10.1077  0.0897807 -0.861435     0.0447017    -0.638758     -0.851304     95.6808  -110.069      218.444  -157.528     168.985  177.675       
1 1 1 5  2  9  f 1 7.50209  0.117855  -0.106062     -0.217254    0.00878755    -0.0713798    251.595  136.56        177.638  162.133      172.588  -69.8172      
1 1 1 5  2  10 o 0 5.87528  0.283369  2.05644       -1.51759     -0.0541955    0.485218      240.923  39.4864       327.322  -19.9668     309.289  -74.8103      
1 1 1 5  2  11 o 0 3.76989  0.26747   0.242955      -0.120615    -0.0056264    0.0236368     251.94   -124.288      80.8001  24.1218      377.67   49.2772       
1 1 1 5  2  12 f 1 6.10423  0.324985  0.134847      0.00784111   -0.00153084   -0.000418389  185.753  -34.8431      207.99   -29.7809     18.6372  65.1893       
1 1 1 5  2  13 o 0 1.72339  0.607617  0.0680757     -0.00477401  0.000654077   -0.00519519   178.759  -82.374       96.8731  94.7049      284.529  96.6318       
1 1 1 5  2  14 o 0 2.59063  0.572048  -0.211599     -0.0411437   0.00183428    -0.00624552   33.4021  -178.147      32.2458  -171.611     3.70437  -80.3779      
1 1 1 5  2  15 < 0 0        1.62759   -0.0960829    -0.0490668   0.00132557    0.00163584    ?        ?             67.5231  67.2958      ?        ?             
1 1 1 5  2  16 o 0 1.99222  0.961642  0.12296       0.37386      0.00322815    0.00315222    34.0019  -138.812      29.3843  -176.715     20.371   103.579       
1 1 1 5  2  17 o 0 1.95577  0.619978  0.0579213     0.411571     -0.000792728  0.000961838   54.8316  -45.236       46.9868  -15.7644     24.0548  60.8138       
1 1 1 5  3  0  o 0 24.5438  0.111536  -0.146982     1.79996e-017 0             0             943.361  -6.56953e-014 1026.85  0            124.055  4.78086e-013  
1 1 1 5  3  1  o 0 42.6154  0.493721  -3.4712       2.74711      2.06437       4.0539        1663.67  -146.984      1731.14  -153.556     367.995  -179.556      
1 1 1 5  3  2  o 0 24.8371  1.11185   -1.13637      3.66941      0.658681      0.699562      1005.2   149.286       910.244  144.689      113.309  109.208       
1 1 1 5  3  3  f 1 4.45559  0.0547311 -0.0149267    -0.0307455   0.0701072     0.0591116     660.783  135.192       306.565  -46.7975     844.838  -45.5299      
1 1 1 5  3  4  o 0 34.4066  1.3067    -3.18899      -3.99401     -0.00285174   -0.86751      1513.28  -156.367      1038.99  -152.898     74.282   -34.1868      
1 1 1 5  3  5  o 0 47.6844  0.829826  -2.63902      0.304615     -0.572513     -0.219243     2097.28  -166.978      1561.93  -168.162     51.5909  51.7514       
1 1 1 5  3  6  o 0 27.7425  0.392683  -2.49134      1.69419      -0.913769     0.717393      1198.3   121.602       920.902  117.744      63.2878  19.8391       
1 1 1 5  3  7  o 0 2.56204  0.530934  1.18177       -3.39352     0.671505      0.48794       395.741  -59.1901      220.239  126.444      613.006  122.831       
1 1 1 5  3  8  o 0 4.02102  0.547973  -11.1723      1.40409      -2.32546      0.716834      38.6241  -69.5153      415.639  170.484      442.349  164.946       
1 1 1 5  3  9  o 0 19.9549  0.182112  -1.96426      2.73758      -0.484548     1.46958       617.186  100.066       1332.37  90.9512      582.206  78.811        
1 1 1 5  3  10 o 0 14.829   0.098138  -0.176612     0.226745     0.0605824     0.0111824     671.216  142.908       716.028  143.19       93.1225  -39.2609      
1 1 1 5  3  11 o 0 3.02992  0.314401  -0.297934     -0.071175    -0.0341324    -0.0384318    192.721  47.9338       135.013  -144.372     365.78   -136.578      
1 1 1 5  3  12 o 0 2.90783  0.562599  0.587948      0.0947067    -0.0290052    -0.00148525   177.53   -63.1971      103.822  74.2757      288.685  102.734       
1 1 1 5  3  13 o 0 8.78165  0.449765  0.79015       0.00654439   -0.0198022    -0.0140014    288.321  -98.3393      516.177  -91.2504     218.841  -81.4166      
1 1 1 5  3  14 o 0 1.18519  0.771263  -0.0694862    0.101435     -0.00134138   0.00238132    89.1005  72.4711       60.5062  -112.303     147.5    -109.486      
1 1 1 5  3  15 < 0 0        1.68071   0.171843      0.0999905    0.00184946    0.00172342    ?        ?             68.6113  -102.959     ?        ?             
1 1 1 5  3  16 o 0 1.62976  0.842761  -0.228655     0.210975     0.00197681    -0.000442725  39.5089  69.0793       37.8918  100.697      20.7606  175.973       
1 1 1 5  3  17 o 0 1.26182  0.779304  -0.0562516    -0.307202    -0.0004097    -0.000254945  42.9258  -92.172       14.2704  -100.797     23.71    93.0066       
1 1 1 5  4  0  o 0 13.8744  0.0788333 0.013998      0            0             0             516.623  4.30701e-014  606.933  0            85.8823  -2.61308e-013 
1 1 1 5  4  1  o 0 16.3735  0.257521  -0.907252     0.175859     -1.08007      -0.292119     236.763  -14.5114      600.477  -50.2287     446.36   -66.2648      
1 1 1 5  4  2  o 0 7.28851  0.125695  0.163274      -0.0206516   -0.0740584    0.0668106     421.455  157.224       27.9115  137.586      329.803  -21.1465      
1 1 1 5  4  3  o 0 32.3414  1.12089   1.44979       5.3662       1.74896       -0.428233     1719.19  23.1092       757.623  27.1331      451.802  -163.649      
1 1 1 5  4  4  f 1 95.8913  0.269707  -1.59791      -0.865292    0.760223      0.453498      3925.2   -139.153      3203.11  -139.801     455.675  -143.712      
1 1 1 5  4  5  f 1 31.8704  0.310645  -2.49179      2.79069      1.24586       1.4563        1168.85  20.6302       1216.7   32.1301      402.69   57.6702       
1 1 1 5  4  6  o 0 16.7896  1.00073   13.3175       3.65027      -2.44767      -1.12708      630.859  1.65651       764.907  14.2463      212.433  53.3624       
1 1 1 5  4  7  o 0 15.5964  0.290679  1.47333       -1.79111     -0.16338      0.895348      942.308  -74.0398      360.836  -83.452      569.333  111.909       
1 1 1 5  4  8  o 0 5.15204  0.129767  1.85212       1.23669      -0.221311     -2.32405      223.121  -50.2207      196.468  1.29573      220.571  85.5727       
1 1 1 5  4  9  o 0 17.7819  0.0967284 -2.30269      1.34507      1.89739       2.33924       689.13   -164.486      1024.32  -164.498     173.266  -164.556      
1 1 1 5  4  10 o 0 9.98203  0.111658  -0.113485     -0.156149    -0.0755182    0.0700234     606.859  -125.525      283.565  -123.826     471.634  53.4528       
1 1 1 5  4  11 o 0 6.89917  0.166778  -0.151934     -0.0364114   -0.00185272   -0.00888962   249.571  98.5092       274.964  105.724      43.1524  -134.642      
1 1 1 5  4  12 o 0 6.44135  0.20606   -0.221558     -0.143643    -0.035077     -0.00649666   120.853  94.1397       187.726  114.049      74.7867  152.877       
1 1 1 5  4  13 o 0 2.5791   0.49982   -0.00648494   -0.10449     -0.010474     0.0011826     102.646  -54.7362      21.3262  -75.9063     87.9459  130.288       
1 1 1 5  4  14 o 0 3.93759  0.39945   -0.127395     -0.280086    -0.00780405   -0.00289598   229.383  -168.56       85.9587  -155.286     142.001  3.45081       
1 1 1 5  4  15 o 0 2.46526  0.605827  -0.504887     -0.132267    0.0103294     -0.00486439   106.815  129.977       64.5978  160.582      49.7778  -91.3763      
1 1 1 5  4  16 o 0 0.706274 0.830777  -0.0578771    -0.373584    -0.00423225   -0.00157085   24.8684  141.361       24.8218  -64.9788     47.7837  -51.9646      
1 1 1 5  4  17 o 0 1.02133  0.803064  0.1982        -0.0382568   -1.51252e-005 1.82142e-005  46.8063  56.8894       12.7528  -85.4083     52.1709  -114.513      
1 1 1 5  5  0  o 0 8.01249  0.0925291 -0.0378012    4.62916e-018 0             0             1270.62  -2.46458e-014 358.041  0            998.129  180           
1 1 1 5  5  1  f 1 54.0916  0.200764  -0.466316     -0.269227    0             0             1652.34  -150          2233.57  -150         696.667  -150          
1 1 1 5  5  2  o 0 4.02492  0.0851381 -0.00121615   -0.00210643  0             0             522.511  60            103.459  60           357.204  -120          
1 1 1 5  5  3  o 0 18.477   0.0888717 -1.02154e-017 -0.0556119   0             0             401.398  90            575.62   90           287.425  90            
1 1 1 5  5  4  o 0 19.6418  0.0987801 0.102257      -0.177115    0             0             314.638  -60           609.071  -60          383.307  -60           
1 1 1 5  5  5  o 0 18.7083  0.103656  -0.107501     0.0620656    0             0             1173.6   -30           617.632  -30          268.629  150           
1 1 1 5  5  6  o 0 7.48331  0.1119    -0.00406575   4.97895e-019 0             0             380.513  -3.64786e-015 251.845  0            115.847  180           
1 1 1 5  5  7  o 0 4.43847  0.183742  0.139128      0.0803258    0             0             361.987  30            122.185  30           227.774  -150          
1 1 1 5  5  8  o 0 2        0.355816  -0.00859599   -0.0148887   0             0             234.973  60            17.5376  60           273.691  -120          
1 1 1 5  5  9  o 0 1        0.622708  -6.71409e-019 -0.0036551   0             0             0.924789 90            0.175728 -90          1.3022   -90           
1 1 1 5  5  10 o 0 8.09321  0.181236  -0.120645     0.208963     0             0             465.295  120           436.599  120          134.955  -60           
1 1 1 5  5  11 o 0 0        1.81659   0.0188952     -0.0109092   0             0             187.362  150           0        0            221.764  -30           
1 1 1 5  5  12 o 0 9.47628  0.236723  0.000810861   0            0             0             314.565  1.68479e-015  463.104  0            107.854  -5.54939e-015 
1 1 1 5  5  13 o 0 7.54983  0.317497  0.138571      0.0800039    0             0             284.205  -150          366.006  -150         70.2632  -150          
1 1 1 5  5  14 o 0 0        2.23607   0.0515116     0.0892206    0             0             9.04654  60            0        0            8.81253  -120          
1 1 1 5  5  15 o 0 2.04939  0.899595  1.05521e-016  0.34467      0             0             36.1816  -90           6.08491  90           37.5424  90            
1 1 1 5  5  16 o 0 0        2.40832   -0.131835     0.228345     0             0             43.8036  -60           0        0            42.7893  120           
1 1 1 6  0  1  o 0 15.3525  0.0874341 0.129659      0.224576     0             0             316.126  -120          563.543  -120         275.758  -120          
1 1 1 6  0  2  f 1 4.73286  0.0625543 0.0127332     -0.0220545   0             0             291.506  120           83.742   120          169.288  -60           
1 1 1 6  0  3  o 0 15.4532  0.0772667 0.112085      0            0             0             816.582  -2.08548e-014 606.08   0            126.579  180           
1 1 1 6  0  4  o 0 3.68782  0.118175  0.010921      0.0189157    0             0             305.588  -120          48.309   -120         186.933  60            
1 1 1 6  0  5  o 0 57.5456  0.210366  0.317655      -0.550195    0             0             2084.18  -60           2063.8   -60          354.034  -60           
1 1 1 6  0  6  f 1 10.5024  0.0943648 -0.105993     1.29799e-017 0             0             669.866  -180          376.608  -180         168.776  2.99651e-014  
1 1 1 6  0  7  o 0 10.2225  0.10649   -0.0222015    -0.0384542   0             0             407.499  60            427.302  60           1.31438  60            
1 1 1 6  0  8  f 1 1.22474  0.472836  -0.0030737    0.00532381   0             0             86.8734  -60           1.87288  -60          85.949   120           
1 1 1 6  0  9  o 0 1.76068  0.459666  0.00437981    0            0             0             119.984  -1.49562e-014 8.45063  0            145.988  180           
1 1 1 6  0  10 f 1 4.09878  0.3057    -0.0386662    -0.0669718   0             0             87.9446  -120          75.9564  -120         30.1782  60            
1 1 1 6  0  11 o 0 4.25441  0.34666   -0.0487172    0.0843807    0             0             27.4527  120           42.6988  120          9.33713  120           
1 1 1 6  0  12 o 0 9.27901  0.231258  -0.0394799    4.83473e-018 0             0             358.519  -6.66666e-016 461.842  0            52.2253  5.22883e-015  
1 1 1 6  0  13 o 0 1.89737  0.735115  -0.0461192    -0.0798807   0             0             160.763  60            45.156   60           121.651  -120          
1 1 1 6  0  14 o 0 2.42899  0.731843  0.0455277     -0.0788562   0             0             119.965  -60           65.1165  -60          49.7901  120           
1 1 1 6  0  15 o 0 3.70135  0.63701   -0.18662      2.28535e-017 0             0             249.13   180           151.009  180          59.1543  -2.90711e-014 
1 1 1 6  0  16 o 0 1.41421  1.08503   -0.0403513    -0.0698905   0             0             32.1564  -120          25.0147  -120         5.0845   60            
1 1 1 6  0  17 o 0 0        2.32379   -0.188059     0.325727     0             0             4.50364  120           0        0            3.7977   -60           
1 1 1 6  1  0  o 0 1.34164  0.134824  -0.0019332    2.36741e-019 0             0             374.882  -180          10.602   -180         341.167  5.61035e-014  
1 1 1 6  1  1  o 0 15.5989  1.49993   8.5112        -1.43613     -2.60838      0.625245      319.687  -65.8842      818.268  -44.2193     577.83   -34.3643      
1 1 1 6  1  2  o 0 26.1506  0.297448  0.0528268     -0.915932    0.430632      0.718691      630.42   13.8548       1292.96  13.2353      776.673  12.8234       
1 1 1 6  1  3  f 1 27.5284  1.54451   0.710533      8.20758      1.77754       -0.621255     541.389  62.9321       1496.33  69.6105      1052.98  72.4445       
1 1 1 6  1  4  o 0 57.4992  0.793038  2.14216       -0.297094    -0.225543     0.271148      2845.59  -78.2385      1570.76  -76.8073     498.352  97.2461       
1 1 1 6  1  5  o 0 33.0117  0.383205  0.835273      1.9533       0.0943282     -1.14472      1682.56  114.649       916.313  114.68       397.985  -65.4224      
1 1 1 6  1  6  o 0 43.591   0.738364  8.9862        -1.61611     -3.09587      -0.284629     1742.5   -55.5879      1621.95  -53.994      241.424  -44.8175      
1 1 1 6  1  7  o 0 2.45146  0.198554  0.551761      1.13196      0.361252      -0.584675     369.752  83.8361       254.469  -93.9515     628.914  -95.2689      
1 1 1 6  1  8  o 0 18.4191  0.0887251 0.176321      -0.553338    0.108668      -0.0322188    687.38   36.0463       842.951  27.9754      187.458  -3.10265      
1 1 1 6  1  9  o 0 10.193   0.165617  -2.70744      -4.84879     0.780819      -3.06726      445.637  -99.6098      547.974  -55.5975     417.072  14.4831       
1 1 1 6  1  10 o 0 8.73253  0.123203  0.117081      0.0404463    0.0244577     -0.0411799    330.504  -114.09       417.305  -111.427     24.9458  -63.0952      
1 1 1 6  1  11 o 0 9.6217   0.128335  -0.23316      -0.0424543   -0.00499211   -0.0597005    343.88   -126.979      506.557  -129.56      92.506   -141.258      
1 1 1 6  1  12 o 0 6.7271   0.210004  0.0570018     0.0113085    -0.00363896   0.0100945     161.529  -163.693      244.956  -162.908     60.1307  -160.492      
1 1 1 6  1  13 o 0 3.1734   0.407587  -0.0915719    0.0277116    0.0072896     -0.00446578   12.7841  -0.0654404    4.49434  110.05       15.4872  164.122       
1 1 1 6  1  14 o 0 2.73811  0.523315  -0.0594095    -0.0165407   0.000536015   0.000689152   185.914  154.245       3.87073  -88.3646     181.905  -26.8376      
1 1 1 6  1  15 o 0 2.8782   0.78808   0.563651      0.584784     0.0233838     0.00229388    22.4712  44.9896       109.768  45.0387      90.5205  45.0491       
1 1 1 6  1  16 o 0 1.68322  0.877518  0.228146      -0.153159    -0.000416873  -0.00101121   59.9031  -134.325      36.357   -105.548     30.7386  10.9668       
1 1 1 6  1  17 o 0 1.7126   0.799308  0.544549      -0.277967    0.000139551   -7.35502e-005 61.1122  -86.4651      50.2517  -52.9023     29.8087  24.7865       
1 1 1 6  2  0  o 0 18.6414  0.0960632 -0.0690714    8.45853e-018 0             0             1659.05  180           744.598  180          771.229  -2.19383e-014 
1 1 1 6  2  1  o 0 32.3784  1.62143   7.23199       -4.80602     -0.447736     2.07058       939.894  6.94359       1515.36  2.2504       748.571  -2.59031      
1 1 1 6  2  2  o 0 18.2659  1.47132   -5.70743      0.666361     -1.00574      0.359036      611.054  164.043       726.949  168.873      244.119  178.563       
1 1 1 6  2  3  o 0 39.4473  0.64819   -0.192714     -2.93315     0.910495      -0.688875     1533.31  -141.048      1528.57  -140.698     281.033  -139.141      
1 1 1 6  2  4  o 0 56.5644  0.145495  0.523996      1.44288      -1.63846      1.33774       2269.91  75.0317       1862.91  74.2398      270.075  69.5611       
1 1 1 6  2  5  f 1 50.3472  1.60213   8.60366       7.03512      0.319792      -2.81424      1907.78  91.5026       1888.03  87.3595      482.771  75.0902       
1 1 1 6  2  6  o 0 5.86469  0.122451  -0.0760047    -0.984007    1.18431       0.247688      689.511  -155.35       172.377  28.9722      703.697  25.7076       
1 1 1 6  2  7  o 0 14.6476  0.0791357 -0.0904194    -0.0047702   0.0107672     -0.0201944    648.429  143.656       536.131  144.744      104.909  -41.9085      
1 1 1 6  2  8  o 0 11.8607  0.469445  14.8526       4.47295      -3.32081      -1.72118      410.576  71.882        816.062  29.0022      560.579  -10.2479      
1 1 1 6  2  9  o 0 12.5126  0.0951962 0.668643      -0.721485    0.203114      0.241229      575.465  -9.43381      539.033  -12.2961     181.355  179.102       
1 1 1 6  2  10 f 1 6.28033  0.211634  -0.596292     1.12217      0.0661095     0.233897      185.409  15.9783       347.91   74.1444      299.07   114.743       
1 1 1 6  2  11 o 0 6.59061  0.17133   0.0310219     0.00136212   -0.00101715   0.00203766    270.88   141.044       228.777  139.989      97.5955  -36.4841      
1 1 1 6  2  12 o 0 5.30359  0.243093  0.0893127     0.0521004    0.0010416     -0.00348698   288.01   66.4923       79.5431  59.4472      250.68   -111.277      
1 1 1 6  2  13 o 0 3.30718  1.44993   -0.152961     -0.125085    -0.000799818  -0.00171977   147.37   -133.437      81.3068  -135.259     73.297   48.5853       
1 1 1 6  2  14 o 0 3.20404  0.466606  -0.234428     0.201896     -0.00165232   -0.0138207    76.4799  137.954       86.2826  138.366      11.6389  141.01        
1 1 1 6  2  15 < 0 0        1.71731   -0.107708     -0.0791232   0.00140947    0.000975807   ?        ?             69.7497  -8.77034     ?        ?             
1 1 1 6  2  16 < 0 0        1.59326   -0.0649346    0.0182101    0.000151935   -0.000509841  ?        ?             36.7127  -123.296     ?        ?             
1 1 1 6  2  17 o 0 1.15463  0.759158  -0.621348     0.465308     -0.00354319   -0.00273575   54.202   -120.706      35.9366  128.807      68.9277  88.5287       
1 1 1 6  3  0  o 0 4.25441  0.0693746 0.0323823     0            0             0             49.3255  -180          8.28829  -180         37.3488  2.25061e-013  
1 1 1 6  3  1  o 0 5.46295  0.645054  -1.77498      1.63045      -0.00549669   0.989852      319.933  30.9311       241.475  142.845      421.398  178.816       
1 1 1 6  3  2  o 0 7.568    0.618962  -0.00913819   -1.37574     0.329057      -0.0401295    627.486  168.254       165.745  -78.8244     588.399  -26.7832      
1 1 1 6  3  3  o 0 7.98564  1.1694    4.2639        8.14956      2.02398       -3.34939      287.784  -92.9676      427.503  52.9247      598.194  63.4077       
1 1 1 6  3  4  o 0 19.8686  0.661368  1.56531       -0.96401     -0.0836168    0.401654      1021.63  -25.3508      456.816  -24.0477     249.721  152.265       
1 1 1 6  3  5  o 0 25.9712  0.687359  -5.31549      1.21064      -1.28225      0.223693      1199.19  177.653       760.096  173.732      140.176  19.4199       
1 1 1 6  3  6  o 0 25.3895  0.82341   14.678        -1.55073     -5.43314      -0.00608461   883.039  -72.2094      1279.86  -53.8308     545.395  -24.4875      
1 1 1 6  3  7  o 0 8.92665  0.480378  3.5104        4.19669      0.0865279     -1.46941      440.716  83.3569       264.548  60.893       208.396  -67.627       
1 1 1 6  3  8  o 0 13.2717  0.0884983 0.324219      -0.318861    0.272985      0.0676995     463.161  153.553       709.336  164.714      181.141  -157.156      
1 1 1 6  3  9  o 0 6.20409  0.175113  0.490738      -0.544447    -0.00619222   0.0856987     256.457  -54.0008      134.747  -48.7062     181.528  122.072       
1 1 1 6  3  10 o 0 3.96367  0.228896  0.171415      -0.245697    -0.0205379    0.0835814     124.825  -19.0104      46.5321  -59.3731     123.209  175.147       
1 1 1 6  3  11 f 1 9.92377  0.129776  0.554502      -0.246812    -0.223622     -0.0256497    303.387  -34.605       580.936  -38.3107     225.584  -44.186       
1 1 1 6  3  12 o 0 6.95439  0.203621  -0.0162837    -0.0997465   -0.00354141   -0.00103336   374.366  145.868       178.67   150.011      248.938  -37.1047      
1 1 1 6  3  13 o 0 6.15359  0.302803  -0.736912     0.292402     -0.0671133    -0.0034258    170.175  77.9099       358.714  92.9802      192.034  106.967       
1 1 1 6  3  14 o 0 2.73141  0.548611  0.0171694     -0.156133    -0.00343112   0.00227236    89.3087  -57.2889      37.2442  -69.346      51.7056  131.365       
1 1 1 6  3  15 o 0 3.19591  0.695108  -0.0494817    -0.580106    -0.00158037   -0.00718199   46.0616  -84.4733      131.39   -88.9651     91.3562  -90.9406      
1 1 1 6  3  16 o 0 2.02178  0.670337  0.0279712     -0.29846     -0.00106501   -0.000604009  29.137   -60.2631      66.7464  -69.38       38.8555  -76.0575      
1 1 1 6  3  17 o 0 1.42599  0.741299  0.384469      -0.3587      -0.00158981   -0.000569426  21.7006  -43.4601      35.1042  -43.1523     15.7938  -42.7759      
1 1 1 6  4  0  o 0 41.9321  0.168642  -0.400816     4.90842e-017 0             0             1217.62  -180          1750.25  -180         587.697  180           
1 1 1 6  4  1  o 0 29.6604  1.15377   -0.0942827    4.09582      0.952927      0.295494      920.885  35.446        1400.12  42.0928      618.585  50.634        
1 1 1 6  4  2  o 0 32.3379  1.98268   6.72145       -7.95305     0.0278258     2.00835       1283.78  -64.2508      1234.87  -63.5289     181.366  -59.3301      
1 1 1 6  4  3  o 0 41.5851  0.62512   1.70062       0.597039     -0.136865     -0.598313     1703.1   -88.8215      1295.38  -83.1267     182.994  -44.1995      
1 1 1 6  4  4  f 1 19.1947  0.903317  -2.00172      -2.06729     0.136679      -0.592665     514.234  -177.109      747.759  -168.966     405.179  -161.956      
1 1 1 6  4  5  o 0 9.59475  1.00186   15.0485       10.8321      -1.52296      -5.7082       321.82   11.8877       314.773  15.2012      80.2808  24.9862       
1 1 1 6  4  6  o 0 20.7847  0.0812652 0.121558      0.0398973    -0.0148653    0.0197248     889.423  -101.833      816.652  -101.103     27.3571  55.8266       
1 1 1 6  4  7  o 0 11.8986  0.257783  0.908661      -1.1784      -0.0531316    0.450836      108.207  -86.9463      598.447  -73.2218     498.836  -70.4096      
1 1 1 6  4  8  o 0 13.8975  0.279519  7.01256       -4.43785     -0.62465      2.58457       544.773  -0.726486     744.772  -0.215462    75.715   4.30662       
1 1 1 6  4  9  o 0 3.5375   0.213621  -0.679068     -0.598387    0.0113277     -0.180393     120.994  -175.711      76.7275  -97.5686     150.947  -25.5431      
1 1 1 6  4  10 o 0 8.54816  0.129965  0.231356      -0.732313    0.00720415    0.537143      243.24   -98.1637      512.642  -105.678     220.265  -115.885      
1 1 1 6  4  11 o 0 3.58077  0.578317  -0.458145     -0.357997    -0.00579964   -0.0139544    85.4188  -14.1472      114.08   -147.016     197.44   -169.093      
1 1 1 6  4  12 o 0 4.25598  0.498191  -0.254738     0.292645     -0.00256635   0.0107627     154.205  157.333       70.8151  132.868      114.153  -7.78071      
1 1 1 6  4  13 o 0 4.86324  0.319017  0.167845      0.184799     -0.00964202   0.0288879     179.158  38.2494       220.458  39.9312      33.5693  49.3622       
1 1 1 6  4  14 o 0 2.8415   0.507996  0.294509      0.0648039    0.0122718     -0.0041624    127.491  69.7646       45.9014  35.9464      90.5638  -93.8506      
1 1 1 6  4  15 o 0 2.46686  0.612563  -0.355158     -0.0284706   0.00386773    0.00294052    106.874  -114.56       59.8169  -136.327     44.0736  95.6589       
1 1 1 6  4  16 o 0 1.63964  0.843629  -0.134268     0.146931     0.00130545    -0.000820169  48.4086  -127.108      31.2703  -153.093     23.8973  87.8734       
1 1 1 6  5  0  o 0 14.089   0.077646  0.220593      0            0             0             26.2857  -180          47.7863  0            73.8576  7.46813e-014  
1 1 1 6  5  1  o 0 4.88942  0.398721  0.154307      0.393458     0.0626569     -0.0458776    498.447  -158.055      217.753  36.0525      660.563  26.5533       
1 1 1 6  5  2  o 0 35.4418  0.186436  1.32956       -0.466761    0.490484      1.51437       1517.48  6.08957       1096.58  11.1779      99.1097  84.9956       
1 1 1 6  5  3  o 0 42.3076  0.473552  -1.51917      -1.21251     0.748469      -0.881854     2348.61  154.904       920.953  158.323      709.882  -29.5344      
1 1 1 6  5  4  o 0 39.0118  0.847511  1.767         0.62175      -0.222588     -0.0633153    1676.14  36.4733       1232.51  36.0909      20.1661  12.4017       
1 1 1 6  5  5  o 0 19.7072  0.657813  -8.46447      1.26297      -3.12119      0.273548      973.754  -131.612      520.478  -141.09      216.342  71.7277       
1 1 1 6  5  6  o 0 10.2524  0.326619  -2.13261      -0.377937    -0.539866     -0.0934523    648.306  162.558       163.123  -177.953     457.634  -24.2715      
1 1 1 6  5  7  o 0 6.12053  0.101923  0.0275603     0.335926     0.151871      0.0710118     212.976  -20.3672      86.7753  59.2434      203.662  134.856       
1 1 1 6  5  8  o 0 5.52575  0.130656  0.891805      0.350597     -0.272408     -0.140258     89.3118  -93.7305      228.357  21.4726      291.406  41.1126       
1 1 1 6  5  9  o 0 2.43973  0.279302  0.0560249     -1.08089     0.428776      -0.0551661    14.9215  -174.715      101.47   -75.7696     105.726  -66.1691      
1 1 1 6  5  10 o 0 3.70552  0.246812  -0.263549     0.35213      0.117248      0.104901      136.463  164.458       43.7335  119.563      137.867  -2.60441      
1 1 1 6  5  11 o 0 6.47895  0.171723  0.0560801     -0.10598     -0.0358901    0.0175641     289.36   72.6404       200.524  68.5622      140.044  -101.515      
1 1 1 6  5  12 o 0 3.90692  0.462527  1.24857       0.464052     -0.160945     -0.0507794    179.087  77.3251       134.173  6.49068      201.933  -63.8006      
1 1 1 6  5  13 o 0 3.10891  0.504573  -0.033498     0.377409     0.00929032    -0.0136038    38.7002  32.9123       71.5862  73.7218      48.8173  106.321       
1 1 1 6  5  14 < 0 0        1.62672   0.0428544     -0.0960575   -0.00369294   0.000892269   ?        ?             134.716  -35.5762     ?        ?             
1 1 1 6  5  15 f 1 3.89833  0.456254  0.586616      -0.572347    -2.25379e-005 -0.0156691    167.486  -179.441      146.074  -164.299     38.3099  -84.3076      
1 1 1 6  5  16 o 0 2.88967  1.31911   0.237641      -0.243016    -0.00206489   0.000384438   31.7136  -158.554      115.284  -139.388     86.3208  -132.548      
1 1 1 6  6  0  o 0 7.85493  0.100551  -0.0575501    7.04762e-018 0             0             73.5048  180           49.2286  180          13.933   -9.32457e-013 
1 1 1 6  6  1  o 0 17.1231  0.0842653 0.171223      0.0988559    0             0             1487.26  30            583.749  30           576.033  -150          
1 1 1 6  6  2  o 0 22.1901  0.0987033 -0.164117     -0.28426     0             0             569.446  -120          709.515  -120         293.002  -120          
1 1 1 6  6  3  o 0 17.8017  0.0894287 -3.29834e-017 -0.179559    0             0             1373.65  -90           551.264  -90          421.753  90            
1 1 1 6  6  4  o 0 44.5847  0.177603  0.111209      -0.19262     0             0             2109.55  -60           1426.82  -60          117.434  120           
1 1 1 6  6  5  o 0 2.42899  0.225156  -0.0166991    0.00964124   0             0             5.56356  -30           1.09536  150          5.16779  150           
1 1 1 6  6  6  o 0 24.6191  0.1293    0.310929      0            0             0             1141.11  1.53193e-015  1003.81  0            60.4668  -180          
1 1 1 6  6  7  o 0 4.63681  0.17647   -0.148443     -0.0857039   0             0             91.2254  -150          60.8345  -150         24.1973  30            
1 1 1 6  6  8  o 0 0.447214 0.599757  0.00312801    0.00541787   0             0             176.227  -120          0.561573 -120         210.321  60            
1 1 1 6  6  9  o 0 4.60435  0.237223  1.04723e-017  0.0342062    0             0             321.324  -90           115.985  -90          263.128  90            
1 1 1 6  6  10 f 1 14.4845  0.146937  0.233655      -0.404702    0             0             683.13   -60           762.705  -60          41.2972  120           
1 1 1 6  6  11 o 0 5.25357  0.313796  -0.0318297    0.0183769    0             0             89.1736  150           103.377  150          0.134964 150           
1 1 1 6  6  12 o 0 10.3005  0.223253  0.110292      0            0             0             94.4598  180           497.49   180          395.147  -180          
1 1 1 6  6  13 o 0 0        2.12132   0.0105474     0.00608953   0             0             42.3986  30            0        0            43.6784  -150          
1 1 1 6  6  14 o 0 5.90762  0.432636  -0.0176006    -0.0304852   0             0             225.376  -120          267.165  -120         56.7137  -120          
1 1 1 6  6  15 o 0 3.08221  0.740389  2.83798e-017  0.0926984    0             0             116.983  90            115.894  90           13.9349  90            
1 1 1 6  6  16 o 0 0        2.34521   0.0152024     -0.0263313   0             0             46.1718  120           0        0            45.4899  -60           
1 1 1 7  0  0  o 0 14.8189  0.127119  -0.0371326    4.54729e-018 0             0             969.018  -1.41895e-014 659.776  0            335.692  180           
1 1 1 7  0  1  o 0 13.4573  0.0775758 0.106713      0.184832     0             0             392.557  -120          509.914  -120         151.145  -120          
1 1 1 7  0  2  f 1 16.456   0.0876457 0.00266283    -0.00461215  0             0             203.367  -60           538.4    -60          362.905  -60           
1 1 1 7  0  3  o 0 12.4419  0.0758908 0.1504        0            0             0             717.646  -3.71553e-014 477.97   0            153.638  180           
1 1 1 7  0  4  o 0 16.4438  0.0847008 -0.088622     -0.153498    0             0             384.83   -120          532.724  -120         244.429  -120          
1 1 1 7  0  5  o 0 45.8017  0.178337  -0.0193292    0.0334791    0             0             2080.93  -60           1594.34  -60          62.5829  120           
1 1 1 7  0  6  f 1 29.7574  0.137148  -0.043817     5.36586e-018 0             0             1141.24  6.2744e-016   1044.68  0            142.186  -3.98254e-015 
1 1 1 7  0  7  o 0 29.5939  0.142919  -0.299334     -0.518462    0             0             1398.42  -120          1317.03  -120         106.536  60            
1 1 1 7  0  8  o 0 5.82237  0.166898  0.111207      -0.192616    0             0             144.686  120           33.239   120          154.32   -60           
1 1 1 7  0  9  o 0 9.80816  0.140705  -0.425481     5.21047e-017 0             0             502.545  180           531.094  180          103.54   0             
1 1 1 7  0  10 o 0 6.52687  0.207777  -0.0286256    -0.0495811   0             0             150.339  60            213.708  60           32.207   60            
1 1 1 7  0  11 o 0 4.59347  0.30554   -0.0111665    0.019341     0             0             142.352  120           119.715  120          51.3942  -60           
1 1 1 7  0  12 o 0 2.30217  0.602321  -0.000713525  8.73787e-020 0             0             196.31   180           39.4927  180          183.225  -2.63002e-015 
1 1 1 7  0  13 o 0 3.61939  0.546488  -0.0269878    -0.0467442   0             0             223.698  -120          163.799  -120         67.542   60            
1 1 1 7  0  14 o 0 0        2.30217   0.00933003    -0.0161601   0             0             135.985  -60           0        0            130.275  120           
1 1 1 7  0  15 o 0 0        2.42899   -0.139843     1.71253e-017 0             0             92.1286  -180          0        0            77.9847  2.91268e-015  
1 1 1 7  0  16 o 0 0        2.50998   -0.0683092    -0.118315    0             0             58.741   60            0        0            55.3358  -120          
1 1 1 7  0  17 f 1 0        2.32379   -0.0392686    0.0680152    0             0             8.22314  120           0        0            6.89103  -60           
1 1 1 7  1  0  o 0 21.4639  0.106626  -0.0413507    5.06383e-018 0             0             270.554  5.19963e-018  857.413  0            603.905  -2.18271e-018 
1 1 1 7  1  1  o 0 8.18588  2.08514   12.4943       -4.36268     -2.44451      1.8075        911.754  131.439       1017.68  -15.7907     1718.17  -29.8618      
1 1 1 7  1  2  o 0 32.1132  0.4353    0.351136      0.477765     0.136358      -0.0773478    1474.37  25.6715       1061.04  25.6098      146.773  -153.882      
1 1 1 7  1  3  o 0 39.3201  1.10786   -5.67114      4.5417       0.241478      2.59213       1247.76  118.807       1773.79  120.113      740.916  121.936       
1 1 1 7  1  4  o 0 28.1369  0.233545  -0.128146     -0.269815    -0.0075477    -0.0589623    998.396  -55.4652      997.641  -56.5033     289.171  -59.0488      
1 1 1 7  1  5  o 0 24.5775  0.269061  -0.589753     -0.0233235   -0.135357     -0.228925     996.04   -163.224      832.224  -165.361     80.4275  174.072       
1 1 1 7  1  6  o 0 25.1597  0.198938  -1.88933      1.05578      -2.35602      0.12051       1360.4   96.1702       625.622  98.6028      427.432  -87.3915      
1 1 1 7  1  7  o 0 12.5201  0.0784736 0.623423      0.469623     3.08677       2.35958       428.969  -13.3179      694.748  28.1482      470.149  64.7823       
1 1 1 7  1  8  o 0 9.70112  0.0918323 -1.29905      0.461311     -0.346191     0.879546      365.669  -112.296      550.225  -148.451     325.174  154.345       
1 1 1 7  1  9  o 0 3.53409  0.315294  -0.691879     -0.388591    -0.0208149    -0.0417623    290.347  119.053       261.218  -90.799      601.661  -73.4275      
1 1 1 7  1  10 o 0 3.58993  0.237229  0.45583       0.603083     -0.00129944   -0.175848     38.8664  15.7352       115.379  56.5625      84.8086  78.5389       
1 1 1 7  1  11 o 0 8.26003  0.14833   0.62065       0.113998     -0.0811465    -0.206761     344.535  59.5998       356.352  53.0525      71.3834  -85.7048      
1 1 1 7  1  12 o 0 3.02622  0.38338   0.0680141     0.00293798   -0.0011608    0.00150061    48.4009  -88.449       22.7726  64.9089      76.0683  83.8362       
1 1 1 7  1  13 f 1 4.24889  0.927598  1.00916       -0.390404    -0.0171493    0.0305747     38.221   111.313       160.943  3.30625      177.031  -8.85062      
1 1 1 7  1  14 o 0 2.70581  0.545656  -0.0243016    0.355751     -0.00358905   0.0158513     70.2694  70.7649       52.8527  86.3717      22.3179  -148.813      
1 1 1 7  1  15 o 0 1.38052  0.815604  0.00242958    0.404333     -0.00441622   0.006847      45.426   -57.4071      34.4044  101.209      72.1963  112.587       
1 1 1 7  1  16 f 1 2.05908  0.98087   -0.105441     0.322416     9.38116e-005  -0.00149226   61.1942  44.7409       77.5893  60.5134      26.9542  96.2257       
1 1 1 7  1  17 f 1 0.754583 0.836597  0.024304      -0.647593    -0.00139635   -0.00180981   109.4    73.2844       77.3053  -101.876     170.941  -104.529      
1 1 1 7  2  0  o 0 4.97996  0.0693103 0.0235565     0            0             0             163.69   -180          55.5334  -180         92.714   2.71429e-013  
1 1 1 7  2  1  o 0 21.9908  3.34782   -26.6496      14.1994      -3.61901      4.73481       740.917  -177.084      967.789  159.515      474.128  128.753       
1 1 1 7  2  2  o 0 11.0286  1.40055   -7.05374      -0.874924    -1.70899      -0.563589     697.1    -171.781      159.038  179.728      398.856  11.5944       
1 1 1 7  2  3  o 0 33.8241  1.52774   1.84933       -6.02549     0.961919      0.396741      1330.94  -98.8382      1064.76  -94.6787     186.415  -74.3635      
1 1 1 7  2  4  o 0 70.737   0.687674  -1.98545      1.0375       0.080594      0.409254      2942.39  95.8541       2215.82  96.6108      195.129  104.479       
1 1 1 7  2  5  o 0 42.2401  0.73767   1.50807       -4.0246      0.300368      0.670759      1960     -35.7892      1257.2   -38.4625     197.681  161.466       
1 1 1 7  2  6  o 0 18.1283  0.243757  -0.601261     1.24293      0.0742853     0.589882      905.843  73.8657       595.745  73.4378      269.628  -105.189      
1 1 1 7  2  7  o 0 5.04481  0.115884  -0.0113349    -0.0128825   -0.00800111   0.00582194    12.4461  66.21         5.30576  -125.77      17.2217  -117.457      
1 1 1 7  2  8  o 0 10.2023  0.0908051 0.160443      -0.0788579   0.052331      0.071076      508.255  -134.511      329.536  -130.494     303.538  41.1266       
1 1 1 7  2  9  o 0 9.04713  0.105914  -0.775732     1.6121       1.6433        0.329158      299.651  -150.305      596.128  161.217      447.207  123.314       
1 1 1 7  2  10 o 0 6.25716  0.290224  2.21298       -1.51947     -0.0868226    0.482398      182.394  -26.5229      346.399  -29.1593     121.525  -34.0568      
1 1 1 7  2  11 o 0 6.68569  0.171725  -0.128915     -0.303041    0.011679      -0.0900542    210.668  -121.582      280.757  -117.976     34.0616  -90.3595      
1 1 1 7  2  12 o 0 5.5449   0.239525  0.431591      -0.378705    -0.0654231    0.0536676     259.655  -29.4498      142.951  -39.1884     156.052  159.464       
1 1 1 7  2  13 o 0 4.4673   0.354991  0.210274      -0.090044    -0.00815486   -0.00234162   215.742  110.775       148.337  104.422      79.8704  -57.3662      
1 1 1 7  2  14 f 1 3.0567   0.482358  -0.10294      0.0158547    0.00126312    0.00125449    157.145  -47.7215      37.5364  -57.6655     114.422  135.526       
1 1 1 7  2  15 < 1 0        1.7102    -0.199988     0.0409112    0.00185271    0.00344868    ?        ?             76.5551  97.2249      ?        ?             
1 1 1 7  2  16 o 0 1.75001  0.685458  0.183433      -0.0488614   0.000524445   -0.000246991  47.1647  22.4107       47.1501  12.5287      8.10377  -64.4955      
1 1 1 7  2  17 o 0 2.57844  0.74524   0.344543      -0.044895    -0.000313668  -0.000602341  91.5967  139.402       103.262  133.018      24.2578  111.152       
1 1 1 7  3  0  o 0 5.77927  0.0683985 -0.0117895    1.44375e-018 0             0             167.484  3.67419e-014  78.884   0            72.6304  -180          
1 1 1 7  3  1  o 0 9.09636  2.36881   16.1887       -5.46598     -3.0162       2.14115       480.462  36.5132       373.64   -37.1274     462.287  -92.6347      
1 1 1 7  3  2  o 0 14.3738  0.442109  -0.33233      0.199514     -0.00906841   0.0468523     568.858  -171.324      468.007  -174.283     28.4627  130.613       
1 1 1 7  3  3  o 0 24.4532  0.60104   0.228645      1.6318       0.332673      -0.246064     1162.2   79.0436       615.253  80.6881      157.444  -107.395      
1 1 1 7  3  4  o 0 24.8601  0.655822  -4.15362      -2.19373     -2.02893      -1.53186      1017.6   -78.9372      798.645  -90.7535     175.195  -147.922      
1 1 1 7  3  5  f 1 17.1007  0.235211  -1.33136      -0.459027    -0.245012     -0.694674     192.252  -92.5691      726.491  -103.095     592.476  -105.513      
1 1 1 7  3  6  o 0 14.0492  0.0737374 0.0714929     -0.206174    0.0897094     -0.129492     587.454  -73.57        509.252  -68.9095     59.193   62.082        
1 1 1 7  3  7  o 0 14.0696  0.505837  -0.790487     4.66775      0.957826      0.560597      363.5    95.3347       709.72   91.9733      367.189  88.8273       
1 1 1 7  3  8  o 0 3.11841  0.364019  -3.10239      5.15728      1.08478       1.70288       84.436   125.188       141.775  128.269      39.1951  136.398       
1 1 1 7  3  9  o 0 9.04596  0.172477  0.58191       -0.245489    -0.0289306    0.051526      320.849  44.9497       369.831  19.921       164.992  -63.551       
1 1 1 7  3  10 f 1 5.73098  0.16908   0.269612      -0.409101    0.0598078     0.0492907     498.551  44.208        90.4162  -87.5963     664.498  -129.971      
1 1 1 7  3  11 o 0 11.1564  0.310124  -0.453089     -1.2448      0.0867655     -0.0433365    483.101  -111.085      528.967  -111.326     42.9745  71.8822       
1 1 1 7  3  12 f 1 4.72681  0.285784  -0.68716      -0.201624    -0.122631     0.0184126     457.694  -71.9796      149.792  144.754      637.05   116.105       
1 1 1 7  3  13 o 0 2.57111  0.521057  0.014561      0.156904     0.00059826    -0.00547153   179.733  171.292       21.9672  32.2021      205.209  -4.68825      
1 1 1 7  3  14 o 0 2.49976  0.880615  -0.19773      0.0362354    -0.00266298   -0.00171436   45.7398  70.0283       22.4595  149.694      46.4602  -138.368      
1 1 1 7  3  15 o 0 4.0923   0.439553  0.238717      0.706033     -0.00893813   0.00823627    164.081  13.7001       171.618  26.3544      44.327   71.7109       
1 1 1 7  3  16 < 0 0        1.47507   -0.0952256    0.358447     -0.00792974   0.00279138    ?        ?             69.2816  84.2921      ?        ?             
1 1 1 7  4  0  o 0 39.1344  0.153988  0.215184      0            0             0             1745.86  -5.15177e-015 1573.28  0            32.1913  180           
1 1 1 7  4  1  o 0 4.00149  0.458482  -1.03492      0.170873     -0.338734     0.0852429     202.944  -118.894      107.057  123.236      240.459  84.2835       
1 1 1 7  4  2  f 1 10.5069  1.24386   7.41646       0.887158     -2.19927      -0.360536     378.879  36.0373       305.188  24.7625      76.7559  -14.9845      
1 1 1 7  4  3  o 0 29.54    0.32217   0.78766       -1.18328     0.725859      0.345472      1264.3   -2.49834      851.846  -3.81298     21.5289  -67.7004      
1 1 1 7  4  4  o 0 47.7785  0.198402  0.0262973     0.962617     0.0590104     -0.395851     2322.06  111.467       1287.89  111.874      345.207  -70.0482      
1 1 1 7  4  5  o 0 14.0775  0.575422  -7.5553       0.93005      -2.45671      1.04479       788.903  -177.748      272.156  -159.794     316.647  -13.1109      
1 1 1 7  4  6  o 0 25.9644  0.697697  -10.1156      0.275786     -3.28761      -0.684321     910.052  117.006       1235.72  130.971      466.789  156.714       
1 1 1 7  4  7  o 0 11.0902  0.123277  2.30632       -2.40431     -1.5256       3.52763       562.294  -107.917      355.466  -113.013     172.487  82.6327       
1 1 1 7  4  8  o 0 1.62221  0.331552  0.157936      -0.0298506   -0.0107047    0.00216654    45.1333  -147.386      60.1613  23.6476      114.123  27.901        
1 1 1 7  4  9  o 0 5.62804  0.146173  0.00452943    -0.151979    0.0159454     -0.00390948   302.44   64.9203       69.1187  -99.3284     427.313  -112.563      
1 1 1 7  4  10 o 0 3.94253  0.237628  0.380218      -0.187435    0.0883969     0.33885       289.753  72.323        117.69   -53.0464     429.625  -94.7695      
1 1 1 7  4  11 f 1 3.07126  0.335055  0.553041      0.0118733    -0.09325      0.0377715     286.358  11.9049       118.776  -165.602     449.693  -167.437      
1 1 1 7  4  12 o 0 2.19996  0.545388  -0.132558     -0.0433152   -0.00118216   -0.00458672   116.279  -150.286      74.2137  32.0344      205.203  30.5532       
1 1 1 7  4  13 o 0 1.63299  0.658916  -0.232546     -0.254277    -0.0305443    -0.0091167    50.3462  -19.2542      44.2699  -164.626     92.4856  176.529       
1 1 1 7  4  14 o 0 2.86455  0.5075    -0.0613476    -0.212226    0.000236483   0.00377886    103.2    7.23465       35.537   -32.5583     77.5077  -155.701      
1 1 1 7  4  15 o 0 2.60773  0.556889  0.258697      -0.382075    -0.00399926   -0.00529181   52.411   11.9673       76.2684  -20.0068     44.43    -53.4002      
1 1 1 7  4  16 < 0 0        1.53017   0.291456      -0.192634    0.00229947    -0.00342871   ?        ?             32.7426  -107.767     ?        ?             
1 1 1 7  5  0  o 0 36.1137  0.143419  -0.341141     4.17763e-017 0             0             1634.6   180           1241.37  180          43.8743  -1.87851e-013 
1 1 1 7  5  1  o 0 16.0881  0.574007  0.86149       -1.92922     0.430292      0.875494      692.302  -116.591      470.088  -115.309     32.0899  44.2658       
1 1 1 7  5  2  o 0 8.65814  1.44888   -6.91919      -0.899054    -1.32824      -0.276646     557.74   -150.537      115.384  171.618      300.791  43.0747       
1 1 1 7  5  3  o 0 17.8797  0.664619  3.35699       0.75303      -1.39046      -0.289442     755.923  46.0896       525.378  51.3999      49.559   147.237       
1 1 1 7  5  4  f 1 14.0349  1.71261   -32.1222      -17.5505     -4.53818      -6.33386      618.791  -123.94       432.762  -150.514     198.266  133.6         
1 1 1 7  5  5  o 0 6.65244  0.243615  2.13112       -0.395739    -0.99786      0.603909      36.9614  -113.879      200.325  -7.77682     209.159  -0.832583     
1 1 1 7  5  6  o 0 4.5645   0.431861  2.06485       -0.361166    -0.287779     0.12697       138.099  -22.5414      139.994  -3.24109     46.6364  60.2796       
1 1 1 7  5  7  o 0 3.15125  0.541581  -6.64467      3.57165      -0.842849     1.1601        229.095  -136.459      231.265  102.666      384.616  74.6104       
1 1 1 7  5  8  o 0 8.84481  0.31419   -8.15516      -0.888405    -2.23642      -0.198404     462.423  142.513       361.375  -164.845     437.366  -78.5403      
1 1 1 7  5  9  o 0 8.56422  0.25901   -0.522835     -1.4416      0.100385      -0.133689     288.06   -101.077      382.899  -105.835     53.3216  -137.635      
1 1 1 7  5  10 f 1 8.70436  0.127544  -0.0992777    0.558779     0.0968197     -0.0171662    253.59   152.11        492.659  143.845      201.805  131.565       
1 1 1 7  5  11 o 0 4.38233  0.256     -0.0260373    0.161908     0.0150545     -0.00133562   172.267  -128.161      27.962   167.54       189.681  59.4726       
1 1 1 7  5  12 o 0 4.86838  0.284287  -0.0243256    0.143992     -0.02659      -0.00213874   97.7823  89.2391       249.7    90.329       143.161  91.1404       
1 1 1 7  5  13 o 0 4.96186  0.311235  -0.0159819    -0.00412038  0.000191379   -0.000261045  207.581  -136.085      203.894  -136.316     11.6984  47.949        
1 1 1 7  5  14 f 1 4.08597  0.409804  0.0298418     0.19922      -0.00427556   0.00257945    70.5471  57.1535       210.699  59.9629      145.312  61.2288       
1 1 1 7  5  15 o 0 1.96484  0.667833  0.0319677     0.448977     -0.00524625   0.00505004    54.1678  28.9748       39.5539  73.8038      34.1308  154.188       
1 1 1 7  5  16 o 0 2.34196  0.640044  -0.483899     0.664128     0.00334785    -0.00561066   30.2393  95.6794       122.133  112.888      93.755   118.348       
1 1 1 7  6  0  o 0 63.5445  0.230496  0.44696       0            0             0             2271.26  -4.39402e-015 2239.44  0            408.496  1.96946e-014  
1 1 1 7  6  1  o 0 19.466   0.446549  -0.0906512    -0.0173775   -0.00176564   -0.00237031   531.47   -127.897      788.472  -128.511     393.356  -129.127      
1 1 1 7  6  2  o 0 13.0461  1.5527    -7.72012      3.55413      -1.24276      1.24485       265.908  137.427       548.261  147.603      365.353  152.8         
1 1 1 7  6  3  o 0 45.4557  1.03354   3.9965        0.590638     -0.712368     -0.643464     1499.22  27.5525       1745.92  25.958       673.159  23.4139       
1 1 1 7  6  4  o 0 32.4765  0.575894  -4.99379      -3.67832     0.306032      -2.4814       1270.57  162.278       1091.26  165.969      199.1    -177.061      
1 1 1 7  6  5  o 0 5.99247  1.16664   -21.445       5.4969       -4.55639      2.68553       521.903  -118.501      412.671  121.357      767.435  89.2105       
1 1 1 7  6  6  o 0 10.9328  0.672358  -6.60057      -6.04381     0.0435422     -2.3027       534.949  -122.112      320.286  -141.726     213.437  88.1335       
1 1 1 7  6  7  o 0 4.67508  0.434869  -5.93519      -4.25146     -0.373193     -1.35289      146.555  -74.3288      371.348  -163.061     405.951  171.811       
1 1 1 7  6  8  o 0 4.05839  0.374107  -5.95284      -6.04887     -0.199915     -2.75193      107.262  -62.3251      277.076  -140.492     279.815  -166.591      
1 1 1 7  6  9  o 0 7.79852  0.218706  -0.937314     1.42898      0.176693      0.225601      315.598  122.578       340.78   125.404      28.444   -93.6281      
1 1 1 7  6  10 o 0 4.76407  0.47978   0.851737      -1.09368     0.00829319    0.0831598     179.376  -132.685      229.879  -58.4895     266.7    -8.71813      
1 1 1 7  6  11 o 0 4.4422   0.312964  0.438716      0.199507     -0.0204613    -0.0126238    217.167  -56.6063      82.9769  15.3048      236.929  103.948       
1 1 1 7  6  12 o 0 3.98309  0.392036  0.157841      -0.134973    -0.003306     0.00553582    90.9672  71.0363       136.111  57.7172      46.5283  28.6658       
1 1 1 7  6  13 < 0 0        1.54102   -0.114315     -0.0411268   -0.00504181   0.0070291     ?        ?             127.963  -23.8462     ?        ?             
1 1 1 7  6  14 o 0 4.09201  0.396017  0.678445      -0.51226     -0.0227937    -0.0204121    96.0311  159.043       175.068  167.712      87.2081  176.657       
1 1 1 7  6  15 < 0 0        1.7102    0.031113      -0.0680848   -0.000283028  -0.000146705  ?        ?             60.5899  102.693      ?        ?             
1 1 1 7  6  16 < 0 0        1.69501   0.251297      -0.289226    -0.00171592   -0.00258795   ?        ?             37.9666  -139.491     ?        ?             
1 1 1 7  7  0  o 0 44.0863  0.240259  -0.368739     4.5156e-017  0             0             2155     -180          1587.37  -180         187.504  1.1245e-013   
1 1 1 7  7  1  o 0 44.6945  0.17162   0.0323249     0.0186628    0             0             1617.15  -150          1556.92  -150         268.352  -150          
1 1 1 7  7  2  o 0 28.9119  0.120554  -0.0912742    -0.158092    0             0             965.445  -120          952.136  -120         224.866  -120          
1 1 1 7  7  3  o 0 38.896   0.154925  2.85484e-016  0.932492     0             0             1391.94  90            1238.44  90           224.677  90            
1 1 1 7  7  4  o 0 25.9307  0.124733  0.378325      -0.655278    0             0             1249.61  -60           812.292  -60          83.113   120           
1 1 1 7  7  5  o 0 3.42053  0.180274  -0.00915349   0.00528477   0             0             242.974  -30           40.5084  -30          179.521  150           
1 1 1 7  7  6  o 0 1.89737  0.331919  0.00704777    0            0             0             467.577  180           24.1255  180          398.513  -1.69513e-015 
1 1 1 7  7  7  o 0 7.7201   0.139926  0.276498      0.159636     0             0             162.699  30            261.462  30           71.9057  30            
1 1 1 7  7  8  o 0 6.08276  0.183443  0.121128      0.2098       0             0             235.95   60            203.287  60           69.8727  -120          
1 1 1 7  7  9  o 0 2.09762  0.459693  -1.03133e-017 -0.056145    0             0             44.245   -90           14.0993  -90          38.333   90            
1 1 1 7  7  10 o 0 8.60233  0.1821    -0.107353     0.185941     0             0             501.412  120           439.84   120          142.885  -60           
1 1 1 7  7  11 o 0 7.56968  0.24307   0.128286      -0.0740658   0             0             213.011  150           305.229  150          64.3993  150           
1 1 1 7  7  12 o 0 2.58844  0.671185  0.00957714    0            0             0             40.6165  2.16302e-015  28.6418  0            14.547   -180          
1 1 1 7  7  13 o 0 0        2.19089   0.0222833     0.0128652    0             0             75.5804  -150          0        0            76.8361  30            
1 1 1 7  7  14 o 0 0.83666  1.0252    0.0556317     0.096357     0             0             56.3886  -120          2.36681  -120         49.8964  60            
1 1 1 7  7  15 o 0 1.64317  0.980043  8.56894e-017  0.279892     0             0             157.672  -90           51.0013  -90          120.258  90            
1 1 1 7  7  16 o 0 0        2.36643   -0.163608     0.283378     0             0             18.5078  120           0        0            18.3165  -60           
1 1 1 8  0  0  o 0 9.50789  0.0937297 -0.027934     3.42082e-018 0             0             152.361  180           125.146  180          29.3786  -3.2418e-012  
1 1 1 8  0  1  o 0 6.45755  0.0613572 0.0167218     0.0289629    0             0             634.026  -120          235.44   -120         344.405  60            
1 1 1 8  0  2  o 0 31.8951  0.140467  0.00727033    -0.0125926   0             0             1155.6   -60           1217.1   -60          208.419  -60           
1 1 1 8  0  3  o 0 2.72029  0.122976  0.0325208     0            0             0             778.936  -7.25614e-015 59.3649  0            504.911  180           
1 1 1 8  0  4  o 0 4.64758  0.115438  0.0104527     0.0181046    0             0             335.196  60            81.9894  60           163.709  -120          
1 1 1 8  0  5  o 0 30.138   0.133787  0.620801      -1.07526     0             0             1389.99  -60           1022.66  -60          56.2244  120           
1 1 1 8  0  6  o 0 13.6345  0.0983021 -0.057033     6.9843e-018  0             0             562.237  -180          589.89   -180         30.7166  180           
1 1 1 8  0  7  o 0 6.63325  0.125736  -0.0337601    -0.0584743   0             0             84.8637  60            42.495   60           41.7825  -120          
1 1 1 8  0  8  o 0 7.20417  0.142887  -0.0560645    0.0971066    0             0             164.099  -60           131.422  -60          76.6348  120           
1 1 1 8  0  9  o 0 6.20484  0.195216  -0.166953     2.04452e-017 0             0             403.757  7.98512e-015  222.269  0            278.034  -180          
1 1 1 8  0  10 o 0 8.44985  0.168218  -0.10463      -0.181225    0             0             76.3997  60            134.934  60           40.0812  60            
1 1 1 8  0  11 o 0 0.316228 0.716337  0.00261025    -0.00452109  0             0             148.91   120           0.529082 120          176.376  -60           
1 1 1 8  0  12 o 0 3.44964  0.479377  0.00829214    0            0             0             161.405  1.56229e-015  71.8974  0            109.748  -180          
1 1 1 8  0  13 o 0 3.43511  0.578238  0.0272438     0.0471877    0             0             44.3822  -120          42.0617  -120         3.63023  60            
1 1 1 8  0  14 o 0 1.3784   0.909788  0.0384447     -0.0665882   0             0             90.8375  -60           19.9098  -60          67.0159  120           
1 1 1 8  0  15 o 0 1.97484  0.934534  -0.36665      4.49002e-017 0             0             59.8115  -1.46781e-014 5.66182  0            45.073   180           
1 1 1 8  0  16 o 0 0        2.46982   -0.0496879    -0.0860619   0             0             13.155   -120          0        0            12.4555  60            
1 1 1 8  0  17 o 0 1.84391  0.819869  -0.277649     0.480902     0             0             63.1675  -60           20.5293  -60          33.647   120           
1 1 1 8  1  0  o 0 8.26438  0.0660211 0.0980088     0            0             0             781.769  1.48028e-014  333.274  0            396.204  -180          
1 1 1 8  1  1  o 0 17.9007  2.43039   -7.99919      11.0891      0.826641      2.0225        291.549  97.7807       1032.68  120.669      809.622  127.523       
1 1 1 8  1  2  o 0 32.9043  0.535113  0.106326      0.513406     0.0764869     0.0165535     1449.95  37.8421       1138.7   38.4905      52.4118  -156.393      
1 1 1 8  1  3  o 0 18.7363  0.708831  1.38769       3.93469      1.25202       -1.62865      667.811  2.83446       625.853  7.75431      174.447  20.7541       
1 1 1 8  1  4  o 0 30.5608  0.8136    -0.57609      -2.09423     0.448579      -0.0795377    1239.57  -107.708      967.731  -108.74      104.332  -117.325      
1 1 1 8  1  5  o 0 11.5691  0.666737  -7.32343      -3.14636     -1.55229      -2.07737      730.526  145.746       215.854  -174.171     402.824  -54.4378      
1 1 1 8  1  6  f 1 4.19069  0.278294  -1.1356       -0.897095    -0.125355     -0.369692     312.996  -102.267      95.7795  125.56       366.989  88.8857       
1 1 1 8  1  7  o 0 5.74884  0.31836   1.79737       0.319351     -0.370407     -0.0849574    320.12   2.24028       71.5602  26.4402      245.381  175.374       
1 1 1 8  1  8  o 0 3.48693  0.185275  0.366503      -0.0868719   0.0464391     1.18252       101.535  79.765        89.1622  -37.1352     184.324  -74.6796      
1 1 1 8  1  9  f 1 2.58974  0.265025  0.275143      0.346895     0.268269      -0.214384     173.019  115.389       151.68   -48.9599     356.349  -58.0172      
1 1 1 8  1  10 f 1 11.9712  0.108094  -0.204507     0.58074      0.198614      -0.0899672    461.06   171.021       671.798  164.667      131.931  136.722       
1 1 1 8  1  11 o 0 9.47938  0.18548   -0.137138     0.412662     0.0178242     0.0306655     433.494  0.272358      398.424  9.67256      136.812  151.871       
1 1 1 8  1  12 o 0 3.60612  0.332172  -0.168746     0.27049      -0.215655     -0.0192281    99.2345  151.708       45.9256  90.8047      98.1909  -4.16897      
1 1 1 8  1  13 o 0 9.30106  0.223566  0.158405      -0.1269      0.00290117    0.0044936     458.921  -5.38787      397.668  -6.11017     78.5313  178.272       
1 1 1 8  1  14 o 0 1.26684  0.78984   0.0275336     -0.0540399   0.000521448   -0.000366967  31.4373  132.093       24.3981  -50.0291     54.8388  -48.851       
1 1 1 8  1  15 o 0 2.6747   0.620489  0.430623      -0.47396     0.00806388    -0.00835358   106.166  139.379       40.653   149.974      52.1168  -48.866       
1 1 1 8  1  16 f 1 0.267689 0.685955  0.205984      0.13898      0.00077769    0.00111732    66.8227  -59.9517      60.7296  117.095      124.263  118.606       
1 1 1 8  2  0  o 0 26.0288  0.122364  -0.291411     3.56863e-017 0             0             1371.74  180           1022.5   180          210.112  -1.28407e-013 
1 1 1 8  2  1  o 0 25.6727  1.63227   5.88736       -5.61954     0.164134      1.66808       1032.94  -76.9189      965.654  -68.7246     171.489  -23.5411      
1 1 1 8  2  2  o 0 24.2225  0.870553  -2.47603      1.68179      -0.0974591    0.724945      767.974  132.285       848.996  134.808      339.512  138.604       
1 1 1 8  2  3  f 1 7.43431  0.130288  0.462969      0.673183     2.37885       -1.63373      912.042  79.6913       352.339  -111.026     945.456  -104.283      
1 1 1 8  2  4  o 0 27.2554  0.211978  -0.175961     0.443042     -0.139931     0.272003      1592.87  -108.972      533.836  -111.881     592.822  73.6468       
1 1 1 8  2  5  o 0 23.5288  0.273562  0.985751      0.0519919    -0.196259     -0.190028     1067.14  31.3864       675.791  29.4232      97.8053  -134.922      
1 1 1 8  2  6  o 0 5.74309  0.0934258 0.0225544     -0.160064    0.128827      -0.0757214    200.28   -75.9287      24.4361  -52.7932     164.881  100.733       
1 1 1 8  2  7  o 0 14.9996  0.157498  0.319916      -1.00285     0.102413      0.614146      481.217  -152.391      713.504  -134.617     313.699  -108.42       
1 1 1 8  2  8  o 0 17.8228  0.114646  0.519146      -0.224649    -0.0162985    0.0406676     765.767  -16.8429      875.698  -17.0771     56.5616  166.787       
1 1 1 8  2  9  o 0 11.7326  0.0984425 0.0342297     0.119077     0.00417559    0.065606      366.096  -88.8381      573.731  -90.1173     133.726  -94.3346      
1 1 1 8  2  10 o 0 1.46364  0.464988  -0.670238     -0.004531    -0.233331     0.0708678     244.183  -168.479      222.432  12.4109      520.058  11.9015       
1 1 1 8  2  11 o 0 11.8491  0.12084   -0.204087     0.242        -0.0594909    -0.224823     552.21   149.366       524.669  144.993      133.945  -13.258       
1 1 1 8  2  12 < 0 0        1.40253   0.016227      -0.0148362   0.00133954    0.000855283   ?        ?             241.175  40.0481      ?        ?             
1 1 1 8  2  13 o 0 2.10983  0.963304  -0.287479     0.0338223    -0.00758789   0.0110699     245.883  -111.965      108.213  78.0154      363.234  70.9949       
1 1 1 8  2  14 o 0 3.51613  0.45758   0.254335      -0.120146    -0.00648824   -0.00287472   167.807  145.209       67.7909  140.417      96.5666  -31.4299      
1 1 1 8  2  15 o 0 1.29078  0.811214  -0.352227     0.129644     0.00798056    0.00105216    98.772   160.785       26.3242  -18.9268     112.571  -19.1477      
1 1 1 8  2  16 < 0 0        1.59344   -0.217363     -0.297222    0.000317719   0.00465673    ?        ?             77.9941  -178.719     ?        ?             
1 1 1 8  3  0  o 0 6.55744  0.0753778 0.0788193     0            0             0             241.884  -180          123.816  -180         91.3288  1.28144e-013  
1 1 1 8  3  1  o 0 24.3757  1.38649   -2.62759      5.98041      1.12901       0.892023      1244.82  20.6826       631.914  50.743       440.882  154.797       
1 1 1 8  3  2  o 0 4.04689  0.914915  -0.783044     -2.79906     0.505194      -0.334234     102.574  141.148       190.192  -94.5255     235.116  -80.7682      
1 1 1 8  3  3  f 1 24.5258  0.340857  -1.25334      1.53814      1.10609       1.07015       1021.36  -164.754      720.735  -169.669     84.5014  148.302       
1 1 1 8  3  4  o 0 46.3414  0.467318  1.51194       0.753191     -0.469736     -0.0741949    1809.96  -24.6878      1536.02  -23.8396     279.052  -20.014       
1 1 1 8  3  5  o 0 39.2081  0.18701   -1.66729      0.939799     -1.486        -1.1843       2033.34  109.986       971.128  112.327      471.677  -74.838       
1 1 1 8  3  6  o 0 8.24006  0.337126  3.91918       -2.81695     -1.44916      2.71982       213.144  45.4799       298.211  3.13741      202.435  -37.375       
1 1 1 8  3  7  o 0 6.00571  0.112166  -0.311202     -0.448617    0.00601404    -0.14765      367.641  -21.0323      111.984  -130.547     392.14   174.582       
1 1 1 8  3  8  o 0 6.36584  0.113784  -0.626142     -0.784113    0.548651      -0.60346      213.61   176.635       207.506  -166.193     84.0606  -50.1513      
1 1 1 8  3  9  o 0 12.4631  0.367407  3.13305       3.65805      0.357443      -0.880195     416.956  13.0071       714.11   30.8353      286.282  62.7988       
1 1 1 8  3  10 o 0 3.44678  0.387567  -0.052556     0.646833     0.0338653     0.0127947     64.0127  -74.788       130.497  95.6058      207.068  99.1752       
1 1 1 8  3  11 o 0 11.7073  0.216065  -0.0408622    0.707542     0.0394795     -0.0135694    436.067  57.1717       625.454  61.6479      122.82   80.59         
1 1 1 8  3  12 o 0 1.43505  0.610246  0.00680272    -0.00239398  -0.000451564  0.000446966   144.489  96.1024       139.809  -83.7078     302.408  -83.8099      
1 1 1 8  3  13 o 0 3.33113  0.411386  -0.146271     0.0366279    0.0059976     -0.00393645   92.3257  -20.7867      62.3298  -22.994      34.1257  163.247       
1 1 1 8  3  14 o 0 4.39471  0.367952  -0.407384     -0.112647    0.0114507     -0.000605387  229.9    -152.667      158.706  -154.433     58.8297  32.1023       
1 1 1 8  3  15 o 0 3.47896  0.467852  0.443902      0.0803989    0.0063351     0.0010006     106.518  132.371       135.804  117.898      50.6959  90.3414       
1 1 1 8  3  16 o 0 1.13392  0.805799  0.258257      -0.289927    0.00273728    -0.00238441   23.03    -121.59       20.0351  -39.3733     28.3092  13.8859       
1 1 1 8  4  0  o 0 28.1105  0.118671  -0.463218     5.67259e-017 0             0             475.603  -180          917.472  -180         562.391  180           
1 1 1 8  4  1  f 1 10.1776  0.474414  1.10579       -0.740005    -0.092501     0.468589      161.869  173.836       207.747  -80.8446     259.699  -56.6552      
1 1 1 8  4  2  o 0 20.2872  0.589203  -2.65144      2.06876      0.0981214     1.81605       615.171  58.947        732.904  68.566       337.076  80.251        
1 1 1 8  4  3  o 0 48.2558  0.856925  -1.0016       -4.71376     0.942616      -1.20068      1769.02  -90.0951      1658.79  -88.0896     448.523  -82.6585      
1 1 1 8  4  4  o 0 10.6953  0.889454  -9.26076      6.11496      -1.31678      2.52848       268.495  128.974       395.943  137.312      214.204  144.522       
1 1 1 8  4  5  o 0 11.7766  0.378415  0.447061      1.76555      0.382816      -0.108923     614.128  13.3797       322.794  38.6448      289.877  165.003       
1 1 1 8  4  6  o 0 7.3217   0.21205   0.954785      1.25938      0.405999      -0.704344     375.426  40.5361       110.511  19.3526      239.499  -129.866      
1 1 1 8  4  7  o 0 7.95336  0.0999316 -0.796444     1.99976      1.35031       0.579552      553.097  147.332       108.917  -156.004     453.788  -44.2356      
1 1 1 8  4  8  o 0 3.4352   0.192405  -0.0983837    0.284073     -1.79244      0.324555      65.4575  5.00745       104.321  129.545      161.232  152.8         
1 1 1 8  4  9  f 1 7.21845  0.122316  0.326261      0.724341     0.0481521     -0.48638      430.073  155.698       217.514  117.989      346.971  -1.7555       
1 1 1 8  4  10 f 1 6.93231  0.167535  0.935185      -0.559704    -0.0133326    0.209298      211.927  -60.6529      341.063  -46.5093     116.588  -15.0239      
1 1 1 8  4  11 o 0 6.84797  0.177656  0.302477      0.40601      0.119294      -0.0661512    203.63   156.327       288.55   136.229      104.926  85.421        
1 1 1 8  4  12 o 0 5.2566   0.262329  0.12779       -0.0217238   0.0157847     -0.0175125    138.176  -175.928      278.435  -175.656     127.567  -175.334      
1 1 1 8  4  13 < 0 0        1.54033   0.102322      0.296845     0.0263743     0.0105421     ?        ?             100.7    91.535       ?        ?             
1 1 1 8  4  14 o 0 0.400743 0.724804  -0.102261     0.342235     -0.0167183    -0.00200993   17.7405  -55.7068      22.1428  119.117      38.8955  121.349       
1 1 1 8  4  15 o 0 2.6237   0.618588  -0.548888     -0.207467    0.0102744     -0.00229539   100.667  -56.2737      72.988   -94.7517     55.545   178.573       
1 1 1 8  4  16 o 0 1.98712  0.946965  -0.302581     -0.229168    0.0028376     -0.00119974   61.7168  12.7824       51.4172  -1.49208     17.479   -120.723      
1 1 1 8  5  0  o 0 26.4821  0.112803  0.568372      0            0             0             541.35   -180          875.665  -180         466.164  180           
1 1 1 8  5  1  o 0 36.3794  0.952899  -0.607989     4.94842      1.5272        -0.137292     1472.77  51.5224       1175.92  53.3971      144.068  67.0091       
1 1 1 8  5  2  o 0 10.0396  0.706403  -0.571057     2.31555      0.563797      0.40023       554.622  143.502       163.242  123.81       226.541  -22.446       
1 1 1 8  5  3  o 0 19.039   1.04876   -1.9255       -3.98689     0.757365      -0.674342     1210.73  171.609       323.342  -156.413     587.589  -25.3345      
1 1 1 8  5  4  o 0 11.8747  0.531293  4.75105       3.63338      -0.801533     -1.86281      729.168  88.7119       192.243  65.6397      335.377  -78.3065      
1 1 1 8  5  5  o 0 18.404   0.701931  -4.15847      5.59927      0.184334      1.60011       825.166  122.872       640.299  118.972      101.852  -31.8134      
1 1 1 8  5  6  o 0 16.2783  0.782989  -13.6118      3.69333      -2.9915       2.3163        698.135  -151.183      624.739  -169.132     194.907  109.853       
1 1 1 8  5  7  f 1 8.09812  0.243757  -0.907431     -3.2011      0.514504      -0.436776     358.807  104.072       696.315  -124.12      1017.88  -106.585      
1 1 1 8  5  8  f 1 9.27206  0.0996965 -0.0823239    -0.606705    0.374556      0.437785      273.593  -108.766      423.286  -126.894     158.559  -164.925      
1 1 1 8  5  9  o 0 9.28578  0.110674  0.137058      0.26997      -0.0158734    -0.0688921    235.365  69.4498       528.45   70.5241      258.292  71.648        
1 1 1 8  5  10 o 0 4.13663  0.235979  -0.510918     0.415682     0.00820016    0.115617      166.428  82.5912       93.7404  143.464      171.598  -125.911      
1 1 1 8  5  11 f 1 8.73362  0.178465  -1.41593      0.612046     -0.100106     0.300244      402.323  -134.063      380.354  -157.523     185.432  100.681       
1 1 1 8  5  12 o 0 9.09354  0.165463  -0.82309      -0.458537    -0.203504     0.103157      262.131  -43.2072      587.835  -54.4293     314.106  -64.5661      
1 1 1 8  5  13 o 0 4.5167   0.431217  -0.573769     -0.110113    -0.00364671   -0.0228535    228.532  91.0005       149.97   112.304      111.369  -118.29       
1 1 1 8  5  14 o 0 3.86179  1.68276   -0.470325     -0.184533    -0.00644472   -0.000347667  166.223  74.8657       155.154  85.4532      28.8593  173.818       
1 1 1 8  5  15 o 0 1.63502  0.807963  -0.208522     -0.312706    -0.00490003   0.000923553   30.46    10.6965       33.9067  -125.858     62.7917  -147.506      
1 1 1 8  5  16 o 0 2.5009   0.582538  0.211679      -0.577875    -0.00401995   -0.000213785  32.7285  154.2         69.4128  -160.812     51.6646  -134.028      
1 1 1 8  6  0  o 0 16.9115  0.0853089 -0.175879     2.15382e-017 0             0             1134.03  180           567.785  180          303.126  -3.49922e-014 
1 1 1 8  6  1  o 0 16.0249  0.767463  1.39989       1.80298      0.2391        -0.498177     946.362  95.8016       301.228  86.3632      414.642  -77.3563      
1 1 1 8  6  2  o 0 32.3047  1.06875   3.30745       -6.07176     0.721123      2.50565       1139.5   -0.207216     1175.83  -3.79965     366.068  -11.8181      
1 1 1 8  6  3  f 1 19.7441  0.569345  -3.14204      -5.29198     0.546038      -1.87093      869.027  -91.8884      569.96   -89.2488     38.6431  45.3262       
1 1 1 8  6  4  o 0 5.55892  0.0847455 -0.25977      -0.0115808   -0.122443     0.045784      163.633  30.5873       44.0206  175.836      151.751  -158.93       
1 1 1 8  6  5  o 0 13.7669  0.473109  1.63494       -3.99041     0.723034      1.06201       676.629  -94.1516      404.589  -94.5566     193.443  86.6953       
1 1 1 8  6  6  o 0 4.69574  0.384979  2.15561       -14.567      6.86099       1.61172       419.665  -12.4621      109.548  -132.208     437.674  -179.911      
1 1 1 8  6  7  o 0 10.0579  0.323183  4.96325       -8.67792     1.42349       3.5952        318.444  -90.4146      548.717  -98.4299     192.304  -113.859      
1 1 1 8  6  8  o 0 1.17025  0.55676   1.16383       -0.805588    -0.0968948    0.395188      184.996  91.5236       242.584  -76.6484     453.099  -82.176       
1 1 1 8  6  9  o 0 1.30715  0.431164  0.33892       -0.021067    -0.0732501    0.0279302     99.3545  -63.5169      94.9368  105.325      211.527  111.5         
1 1 1 8  6  10 o 0 1.70898  0.446609  -0.0392043    0.077263     0.0227901     0.00103242    201.702  -166.478      187.036  15.7449      421.965  14.5072       
1 1 1 8  6  11 o 0 8.74191  0.181213  0.897081      0.428236     -0.0168371    -0.188344     248.534  9.90437       479.567  10.7003      196.998  11.8423       
1 1 1 8  6  12 o 0 6.98789  0.226243  0.300744      0.139079     -0.0266971    0.06165       279.021  137.383       353.108  132.721      59.9867  108.8         
1 1 1 8  6  13 o 0 1.18471  0.746228  0.825728      -0.500194    -0.00849794   0.0755269     53.1804  -89.3722      43.0491  25.0326      82.3752  62.2097       
1 1 1 8  6  14 o 0 1.4152   0.729006  0.347464      0.37584      0.000264102   0.0218875     13.4678  -95.2114      35.6033  50.996       46.6458  59.6683       
1 1 1 8  6  15 o 0 2.4401   0.683995  -0.162907     0.116434     -0.000156235  -0.000658219  85.4089  145.263       75.3027  145.03       18.8355  -33.8048      
1 1 1 8  6  16 f 1 2.99558  0.554834  -0.374379     -0.112654    0.00121003    -0.00129489   47.8594  -62.1727      159.738  -76.7316     114.489  -82.7045      
1 1 1 8  7  0  o 0 15.1625  0.0852574 0.263631      0            0             0             801.113  9.71072e-015  538.664  0            112.416  -180          
1 1 1 8  7  1  o 0 19.4654  0.582203  -1.30653      -0.455737    -0.191308     -0.288914     871.405  120.058       593.409  131.066      139.671  -114.164      
1 1 1 8  7  2  o 0 7.54887  0.868523  -12.083       6.75433      -2.68958      3.86321       105.193  86.1516       340.392  137.681      298.876  149.236       
1 1 1 8  7  3  o 0 17.3297  0.243524  0.10326       0.189556     0.000980144   -0.0116341    959.097  -141.276      349.322  -142.478     328.498  40.0033       
1 1 1 8  7  4  o 0 14.0768  0.0674235 -0.424713     0.268938     -0.718457     -1.141        571.857  -21.4312      548.907  -51.5001     276.862  -118.037      
1 1 1 8  7  5  o 0 8.98072  0.896118  9.76853       -5.95513     -0.822807     1.87082       562.691  9.12719       264.486  -55.9434     453.898  -138.975      
1 1 1 8  7  6  o 0 12.5935  0.465939  -4.39423      -11.8343     2.65431       -1.75164      521.904  -106.283      449.324  -119.513     105.475  150.866       
1 1 1 8  7  7  o 0 8.49748  0.102333  1.17449       2.32647      2.67499       -1.38869      280.586  -30.9408      525.666  11.28        359.959  47.9731       
1 1 1 8  7  8  o 0 3.82361  0.729975  -1.32851      4.55721      0.346847      0.1973        278.117  167.542       278.791  54.9344      495.36   18.8445       
1 1 1 8  7  9  o 0 6.36828  0.166694  1.3358        -1.63782     0.423282      0.705654      148.861  -33.8969      329.685  -30.548      156.607  -26.833       
1 1 1 8  7  10 o 0 6.50114  0.282604  0.763806      -0.105374    -0.0525682    0.00163653    330.609  -50.4013      195.309  -31.1755     205.521  111.363       
1 1 1 8  7  11 o 0 3.90367  0.32724   -0.158971     -0.201687    0.0802668     0.131521      127.012  148.961       56.0762  -120.386     153.63   -52.4461      
1 1 1 8  7  12 o 0 5.42185  0.337501  0.464765      0.471921     -0.0211873    -0.038408     218.798  7.2545        251.325  14.7204      37.1075  68.9017       
1 1 1 8  7  13 o 0 1.49534  0.730073  -0.183289     -0.596631    0.0367876     -0.00162633   95.6899  -115.078      25.3219  54.972       122.222  62.8702       
1 1 1 8  7  14 f 1 2.13225  1.00714   0.0493821     -0.386461    -0.00118083   0.00959633    12.5559  -168.704      37.6776  -93.3245     36.5116  -75.5875      
1 1 1 8  7  15 o 0 3.09192  0.798336  -0.150899     -0.718261    -0.00479305   -0.0083597    55.1763  -9.39263      141.775  -53.0226     106.567  -76.0229      
1 1 1 8  7  16 < 0 0        1.70193   -0.191306     -0.391295    -0.00168188   0.000895863   ?        ?             32.1137  114.986      ?        ?             
1 1 1 8  8  0  o 0 27.4536  0.166542  -0.281694     3.44964e-017 0             0             540.915  -2.42818e-014 972.181  0            528.863  2.03542e-014  
1 1 1 8  8  1  o 0 1.61245  0.216873  0.0164676     0.00950759   0             0             67.9473  30            3.32133  30           49.151   -150          
1 1 1 8  8  2  o 0 9.32738  0.0797241 -0.125008     -0.216521    0             0             58.6166  -120          129.173  -120         85.9959  -120          
1 1 1 8  8  3  o 0 17.2916  0.0977593 -5.66685e-017 -0.308499    0             0             705.177  90            685.371  90           45.8238  90            
1 1 1 8  8  4  f 1 8.43208  0.105409  0.149052      -0.258166    0             0             309.05   120           195.66   120          75.2529  -60           
1 1 1 8  8  5  o 0 6.74537  0.123722  -0.18536      0.107018     0             0             392.992  150           219.218  150          127.274  -30           
1 1 1 8  8  6  o 0 2.56905  0.279332  0.0966988     0            0             0             63.9635  2.89788e-015  20.1731  0            52.3331  -180          
1 1 1 8  8  7  o 0 0        1.34164   -0.0388122    -0.0224082   0             0             140.589  30            0        0            158.664  -150          
1 1 1 8  8  8  o 0 11.9248  0.136789  -0.00937711   -0.0162416   0             0             805.611  60            584.393  60           311.693  -120          
1 1 1 8  8  9  o 0 2.38747  0.450922  2.54549e-018  0.00831447   0             0             277.881  -90           57.322   -90          261.879  90            
1 1 1 8  8  10 o 0 0        1.76068   0.00842832    -0.0145983   0             0             78.9737  120           0        0            89.1749  -60           
1 1 1 8  8  11 o 0 13.6345  0.184511  0.104587      -0.0603835   0             0             356.638  -30           661.657  -30          268.556  -30           
1 1 1 8  8  12 o 0 6.65582  0.322082  0.0814479     0            0             0             260.449  3.09712e-015  322.514  0            51.3697  -1.63475e-014 
1 1 1 8  8  13 o 0 4.85798  0.467426  0.256481      0.148079     0             0             182.109  30            220.105  30           37.9588  30            
1 1 1 8  8  14 o 0 1.3784   0.998533  0.058159      0.100734     0             0             123.381  -120          28.8704  -120         84.2422  60            
1 1 1 8  8  15 o 0 2.52982  0.827644  1.00268e-016  0.327512     0             0             61.119   90            117.817  90           53.154   90            
1 1 1 8  8  16 o 0 0        2.48998   0.0224657     -0.0389117   0             0             35.9322  -60           0        0            35.5816  120           
1 1 1 9  0  0  o 0 13.4201  0.110853  -0.015955     1.95386e-018 0             0             330.913  7.96821e-014  401.169  0            70.3921  -3.7443e-013  
1 1 1 9  0  1  o 0 6.05805  0.0653197 0.0415497     0.0719662    0             0             469.621  -120          184.949  -120         243.463  60            
1 1 1 9  0  2  o 0 14.0357  0.0849804 -0.0988721    0.171251     0             0             325.943  120           512.538  120          229.133  120           
1 1 1 9  0  3  o 0 20.4279  0.0974393 0.146021      0            0             0             731.781  180           639.754  180          115.517  -180          
1 1 1 9  0  4  o 0 25.6593  0.116388  -0.01195      -0.020698    0             0             1187.9   60            843.509  60           49.7365  -120          
1 1 1 9  0  5  o 0 15.0732  0.0955894 0.111983      -0.19396     0             0             681.77   120           499.749  120          17.9046  -60           
1 1 1 9  0  6  f 1 7.02851  0.112022  -0.000771559  9.44857e-020 0             0             150.009  -2.18052e-014 112.885  0            30.6214  180           
1 1 1 9  0  7  o 0 7.00714  0.139891  -0.101165     -0.175223    0             0             273.489  -120          218.331  -120         47.0831  60            
1 1 1 9  0  8  o 0 14.6833  0.124926  -0.0158476    0.0274489    0             0             758.593  120           796.443  120          145.105  -60           
1 1 1 9  0  9  o 0 8.61974  0.159441  0.014748      0            0             0             279.976  -2.35203e-014 337.252  0            3.24129  180           
1 1 1 9  0  10 f 1 7.07813  0.192486  0.0941931     0.163147     0             0             176.831  60            313.193  60           100.358  60            
1 1 1 9  0  11 o 0 12.9112  0.168189  -0.109254     0.189234     0             0             578.767  -60           667.469  -60          11.6501  120           
1 1 1 9  0  12 o 0 0.894427 0.883155  -0.0100079    1.22557e-018 0             0             77.1775  -180          2.83253  -180         83.2464  1.09318e-014  
1 1 1 9  0  13 o 0 0        2.16795   -0.0331497    -0.057417    0             0             44.3614  60            0        0            45.4152  -120          
1 1 1 9  0  14 o 0 1.22474  0.99658   0.0106819     -0.0185015   0             0             101.896  -60           14.851   -60          82.4313  120           
1 1 1 9  0  15 f 1 2.93258  0.709796  0.175562      0            0             0             115.86   -4.49974e-016 107.075  0            10.2143  4.26704e-015  
1 1 1 9  0  16 o 0 3.06594  0.823471  0.0490393     0.0849385    0             0             81.6855  -120          134.346  -120         56.7088  -120          
1 1 1 9  1  0  o 0 18.1052  0.0961451 0.0391987     0            0             0             524.359  -5.10627e-014 732.632  0            246.669  1.00599e-013  
1 1 1 9  1  1  o 0 21.2237  0.974773  -5.99663      -0.0948593   -2.43542      0.406647      962.986  112.805       732.05   122.355      157.993  -117.435      
1 1 1 9  1  2  o 0 6.25523  1.2228    5.38871       2.2842       -0.964299     -1.09437      118.423  147.595       332.619  20.19        387.328  10.6075       
1 1 1 9  1  3  o 0 26.1263  0.773328  1.48195       3.13032      0.413797      -1.02158      1160.73  68.8729       731.328  72.1836      73.258   -146.333      
1 1 1 9  1  4  f 1 33.1559  0.5428    -1.50716      -1.60795     -0.304321     -0.649028     634.548  177.161       1569.2   179.181      1120.68  179.99        
1 1 1 9  1  5  o 0 44.3065  0.899359  -10.601       3.60518      -3.07503      0.868451      1761.42  -165.824      1518.84  -168.903     245.315  174.751       
1 1 1 9  1  6  o 0 13.0763  0.980129  -10.4767      -2.8255      -1.4137       -0.991309     498.778  -152.721      557.138  -166.509     151.29   145.914       
1 1 1 9  1  7  o 0 16.6683  0.339757  -3.93074      3.9638       -0.293497     1.23201       526.05   167.883       803.58   152.896      348.167  131.238       
1 1 1 9  1  8  o 0 2.04065  0.260971  0.484627      -0.159673    -0.174524     0.0745566     102.623  74.952        120.348  -81.2835     239.871  -93.3835      
1 1 1 9  1  9  f 1 8.60451  0.249585  -0.938442     2.32679      0.331469      0.542201      341.943  141.448       361.848  115.305      177.871  25.1288       
1 1 1 9  1  10 o 0 5.47089  0.179816  0.0535969     0.168647     -0.0106494    -0.0740136    166.017  33.2426       150.073  42.1628      57.8692  -170.468      
1 1 1 9  1  11 o 0 4.01214  0.276694  -0.199363     -0.139478    -0.000859069  -0.014327     143.751  83.6325       43.1961  -153.454     195.126  -107.078      
1 1 1 9  1  12 o 0 5.86974  0.513157  0.428026      0.0208765    -0.00736479   0.00329293    296.994  142.211       115.515  115.827      234.428  -25.1411      
1 1 1 9  1  13 o 0 3.79229  0.402071  0.039572      -0.0111853   -4.75292e-005 6.23759e-005  123.866  -134.479      122.093  -132.278     7.47845  6.69816       
1 1 1 9  1  14 o 0 1.31015  0.789007  0.158463      0.159552     -0.00670159   -0.00109041   127.973  53.2717       74.6256  -125.552     198.358  -126.286      
1 1 1 9  1  15 < 0 0        1.72476   0.229242      0.00504817   0.00385015    0.00243311    ?        ?             24.4407  85.2463      ?        ?             
1 1 1 9  1  16 o 0 0.534563 0.803863  -0.277177     0.368048     -0.00162373   -0.00263028   24.8079  59.8286       18.3286  -155.157     40.4827  -135.218      
1 1 1 9  2  0  o 0 2.36643  0.120481  -0.0121357    1.48615e-018 0             0             96.6561  180           7.66786  180          64.2327  -1.28394e-013 
1 1 1 9  2  1  o 0 26.482   1.26333   -6.68767      4.33787      -1.67308      2.33379       591.475  128.474       1133.44  120.782      730.786  116.492       
1 1 1 9  2  2  o 0 10.527   0.246396  -1.02654      0.256509     -1.32951      0.0874672     404.022  -84.6405      303.985  -107.813     120.102  -169.503      
1 1 1 9  2  3  o 0 7.91675  0.761506  1.28021       -0.214902    -0.164179     0.0400812     482.369  -91.5519      137.875  -20.6602     302.99   62.9821       
1 1 1 9  2  4  o 0 16.4938  0.633748  -2.54893      -1.79381     -0.0789091    -0.485884     599.697  -179.007      537.387  -169.321     143.438  -139.929      
1 1 1 9  2  5  o 0 23.5703  0.175368  2.15687       -1.09056     -3.76913      -0.496528     1310.33  -84.2297      515.897  -78.0572     420.583  88.1915       
1 1 1 9  2  6  o 0 10.2369  0.238761  -1.37949      -0.715868    -0.204934     -0.620736     592.528  127.54        253.095  166.06       379.016  -77.0339      
1 1 1 9  2  7  o 0 17.5373  0.331657  2.50569       -4.99453     0.500607      1.23121       549.714  -11.3493      849.545  -30.479      405.37   -54.7256      
1 1 1 9  2  8  o 0 12.0055  0.691153  -27.8907      -21.1053     -2.81621      -7.61116      463.742  -129.67       647.702  -134.072     104.51   -158.079      
1 1 1 9  2  9  o 0 3.62194  0.20953   -0.0421795    -0.44701     0.290351      0.127123      364.514  -92.2925      233.935  92.589       664.571  89.424        
1 1 1 9  2  10 f 1 6.83986  0.258703  1.27457       -1.07543     -0.117178     0.220303      243.522  -68.9083      336.424  -55.4601     87.4396  -5.42555      
1 1 1 9  2  11 o 0 5.24285  0.221018  0.0320594     0.071808     0.000528458   -0.000908899  128.678  -78.4308      91.3773  -71.4364     60.3395  90.9425       
1 1 1 9  2  12 o 0 5.03791  0.534224  -0.383768     0.133536     -0.00456494   0.00717065    217.514  69.818        210.069  80.4215      45.3244  -168.705      
1 1 1 9  2  13 o 0 4.28862  0.361289  -0.2154       -0.174473    -0.0113382    0.00793761    178.056  120.441       156.164  130.787      41.8464  -101.64       
1 1 1 9  2  14 o 0 3.53393  1.56428   -0.753441     -1.16404     -0.0141302    -0.0517302    108.563  -20.6557      176.6    -64.7209     125.328  -99.1773      
1 1 1 9  2  15 o 0 2.7656   0.574231  0.194344      -0.0361263   0.000313462   -0.00102724   75.3402  -127.672      72.3886  -114.446     17.1707  -52.97        
1 1 1 9  2  16 o 0 2.58198  1.23677   -0.49931      -0.449934    -0.0115516    -0.00469669   57.4039  -143.644      142.631  -141.409     86.0197  -139.937      
1 1 1 9  3  0  o 0 2.84605  0.117984  -0.0103514    1.26764e-018 0             0             139.364  -180          14.683   -180         87.3145  1.39569e-013  
1 1 1 9  3  1  o 0 27.4247  2.34784   -12.8392      -8.05248     -1.34965      -2.16947      1134.16  -127.919      837.87   -133.857     105.035  176.477       
1 1 1 9  3  2  o 0 26.0791  0.0817023 0.210991      -0.409821    -0.709492     -0.455689     1253.05  -84.5811      649.474  -81.0867     179.933  82.7094       
1 1 1 9  3  3  o 0 5.40583  0.744893  0.550448      2.05945      0.356306      -0.237237     39.4054  -77.9588      219.54   76.1893      243.946  78.9359       
1 1 1 9  3  4  o 0 24.3524  2.04039   34.2323       -0.415463    -5.14935      -0.284595     924.226  5.00405       806.234  -2.16575     194.066  -26.2286      
1 1 1 9  3  5  o 0 23.2993  0.413601  3.4576        -0.205615    -0.827486     0.428637      929.038  -43.8648      930.085  -39.1423     129.318  -7.55568      
1 1 1 9  3  6  o 0 18.8093  0.511236  3.71713       1.22253      -0.625886     -0.275447     692.498  -46.705       815.382  -26.8873     311.961  15.6859       
1 1 1 9  3  7  o 0 14.5984  0.086568  3.8552        -1.84914     0.198274      7.73623       534.139  31.6328       853.285  39.2092      246.338  58.8077       
1 1 1 9  3  8  o 0 8.38984  0.211923  2.44          -0.804865    -0.296786     0.351575      327.907  46.7713       433.079  -4.88621     359.24   -62.2275      
1 1 1 9  3  9  o 0 7.10641  0.15991   -1.16864      0.103002     -0.230724     0.127379      319.198  -123.53       283.281  -146.224     154.072  101.651       
1 1 1 9  3  10 o 0 9.04794  0.234897  -2.86734      -1.09384     -0.43587      -0.797816     342.433  -161.173      454.799  -169.969     81.14    139.825       
1 1 1 9  3  11 o 0 6.2918   0.195077  0.731288      0.168466     -0.0743615    -0.121413     229.176  -70.9519      260.418  -37.0533     153.443  37.8657       
1 1 1 9  3  12 o 0 7.59579  0.200597  -0.000197649  0.307242     -0.0654407    0.000932552   183.057  56.9105       505.761  60.3003      306.926  62.502        
1 1 1 9  3  13 o 0 4.51388  0.32975   -0.0570062    0.425204     -0.0540312    -0.00241498   103.652  -5.65854      188.617  14.8562      95.4982  38.1432       
1 1 1 9  3  14 o 0 1.40431  0.71439   0.0720098     0.286429     -0.013045     0.00120333    54.7963  -43.7674      30.0481  104.383      78.8995  124.639       
1 1 1 9  3  15 o 0 2.44352  0.622906  0.270623      0.588639     -0.0121953    -0.00303061   63.1169  168.316       82.7078  108.488      76.8062  56.8995       
1 1 1 9  3  16 o 0 2.24573  1.075     0.348253      1.06133      -0.0117112    -0.0284157    62.9807  -3.91871      115.668  34.6014      77.0993  65.2026       
1 1 1 9  4  0  o 0 66.3363  0.238826  0.163613      0            0             0             2531.54  3.25865e-015  2117.21  0            269.031  -2.23861e-014 
1 1 1 9  4  1  o 0 16.0445  0.0807949 0.864204      -0.0171985   -0.79823      2.73313       914.675  22.1129       355.483  58.8372      401.15   170.115       
1 1 1 9  4  2  f 1 34.9366  0.102798  1.14189       1.17962      -3.94854      1.57978       1523.77  68.6582       1050.91  73.2369      85.5618  147.326       
1 1 1 9  4  3  o 0 6.58102  0.182945  -0.446137     0.902275     0.396462      0.335256      653.934  81.4638       116.709  -99.9032     560.023  -98.8211      
1 1 1 9  4  4  o 0 26.7946  0.648847  -4.07896      -0.427296    -0.695746     -0.40095      854.052  88.0487       1000.62  110.032      510.35   135.267       
1 1 1 9  4  5  o 0 11.8413  0.155183  1.55732       -1.22616     -2.08945      2.03094       311.43   -107.226      596.45   -101.084     326.669  -95.9611      
1 1 1 9  4  6  o 0 9.47336  0.104952  0.400638      0.273109     -0.15317      -0.131698     714.347  126.582       80.5771  57.9045      608.866  -46.3367      
1 1 1 9  4  7  o 0 13.1228  0.0855405 -0.186452     0.212899     -0.230476     0.0246904     483.079  78.7377       646.919  84.7534      108.394  117.455       
1 1 1 9  4  8  o 0 13.0565  0.156121  1.69135       0.268152     -0.367288     -0.372258     520.243  -35.7825      624.164  -28.3737     81.9576  43.3378       
1 1 1 9  4  9  o 0 8.59211  0.115344  -0.434105     -0.313662    0.365113      -0.293191     258.702  -169.79       470.948  -176.212     179.692  173.164       
1 1 1 9  4  10 o 0 12.0789  0.109899  0.136118      -0.160433    0.0830615     -0.034305     427.88   -10.1275      675.114  -11.7484     171.609  -16.5165      
1 1 1 9  4  11 o 0 4.89989  0.227859  0.077805      0.119933     -0.069628     0.0553256     118.904  55.0348       103.123  58.4606      34.4354  -135.274      
1 1 1 9  4  12 o 0 5.28207  0.27058   -0.082552     -0.21546     -0.0591347    0.0478447     335.728  -70.8785      134.16   -78.4304     231.825  113.483       
1 1 1 9  4  13 o 0 4.0089   0.381167  -0.0110962    -0.51869     -0.056222     0.0332597     61.1108  -98.6696      175.469  -95.9506     112.131  -94.4124      
1 1 1 9  4  14 < 0 0        1.61215   0.163676      -0.248993    -0.0175569    -0.00347297   ?        ?             118.631  -38.0504     ?        ?             
1 1 1 9  4  15 o 0 2.1641   0.888301  0.365028      -0.308618    -0.00637516   -0.00379201   71.6875  -111.386      62.2737  -67.1469     55.7317  17.3953       
1 1 1 9  4  16 < 0 0        1.66252   0.35785       -0.146873    0.00374416    -0.00116143   ?        ?             19.0606  167.319      ?        ?             
1 1 1 9  5  0  o 0 46.2936  0.177528  -0.438207     5.36631e-017 0             0             1525.25  -180          1550.5   -180         381.977  180           
1 1 1 9  5  1  f 1 33.3009  0.0973146 -0.150331     -1.04336     -1.52508      -1.41394      1749.55  -73.9089      835.919  -73.0668     404.581  104.351       
1 1 1 9  5  2  o 0 46.4308  0.263087  -1.86471      -0.561815    -1.12307      0.765782      2337.98  -142.414      1176.02  -139.557     447.088  30.0539       
1 1 1 9  5  3  o 0 5.71049  0.425344  5.97539       1.42428      -3.35286      -1.3462       406.949  47.6554       60.8255  144.229      290.082  -144.368      
1 1 1 9  5  4  f 1 21.2028  0.527677  10.7886       -0.508977    -7.70358      -1.48556      876.339  -78.5452      672.743  -61.333      206.932  -4.38731      
1 1 1 9  5  5  o 0 5.39026  0.487814  -3.41495      1.76625      -0.572873     0.692936      523.107  135.435       110.389  -62.8257     560.864  -48.1005      
1 1 1 9  5  6  f 1 15.1903  0.288613  2.67813       2.35512      0.0957505     -0.749843     701.775  10.7218       502.934  17.484       122.656  161.853       
1 1 1 9  5  7  o 0 11.0316  0.137364  -0.924981     -2.07492     0.319928      -0.698441     424.414  -130.201      467.015  -118.872     95.695   -23.6741      
1 1 1 9  5  8  o 0 14.4522  0.178797  -0.639119     3.63352      0.992748      0.00987419    376.775  124.867       893.04   123.398      461.71   122.025       
1 1 1 9  5  9  f 1 9.25288  0.279711  3.30765       -0.42685     -0.76965      0.00539171    556.839  -27.6829      263.673  -25.8976     384.243  151.092       
1 1 1 9  5  10 f 1 7.24869  0.149881  0.0281829     0.708865     0.165886      0.0801707     275.179  77.0128       312.425  75.3926      9.52999  -35.0282      
1 1 1 9  5  11 < 0 0        1.3508    0.0635433     -0.0022784   -0.00813534   0.00954172    ?        ?             190.672  65.3841      ?        ?             
1 1 1 9  5  12 o 0 4.15756  0.333731  0.132359      -0.0328475   -0.0040454    -0.000774107  96.8178  -101.698      162.447  -93.972      60.7419  -80.6262      
1 1 1 9  5  13 o 0 1.96717  0.61228   -0.013423     0.0657945    0.000219905   -0.00156567   102.736  74.7808       28.9481  -110.488     135.068  -106.347      
1 1 1 9  5  14 o 0 2.01976  0.701968  -0.392522     -0.139337    0.00771271    -0.00635836   79.2962  -109.392      39.5877  -146.829     49.7587  99.5313       
1 1 1 9  5  15 o 0 2.62595  0.812518  0.239705      0.49723      -0.00739693   -0.00324087   77.4352  120.363       109.835  95.0325      48.8189  46.0874       
1 1 1 9  5  16 o 0 0.672628 0.798849  -0.217355     0.542995     -0.00693399   0.00268365    8.16489  -16.9539      23.1218  122.862      29.932   133.149       
1 1 1 9  6  0  f 1 14.6048  0.0817064 0.0935525     0            0             0             964.629  -7.00694e-015 492.684  0            240.356  180           
1 1 1 9  6  1  o 0 15.74    0.646633  1.37551       0.721848     -0.0721976    -0.0746312    360.476  48.7901       646.167  42.5142      386.433  38.2577       
1 1 1 9  6  2  o 0 32.6947  0.318068  5.99323       -2.04755     -1.67282      5.05845       1230.88  52.7192       1127.17  42.3683      320.404  13.5142       
1 1 1 9  6  3  o 0 34.9155  0.103865  -0.41875      -0.671237    -0.408951     0.699227      1158.32  -99.9563      1266.92  -103.458     478.048  -109.273      
1 1 1 9  6  4  o 0 17.1523  1.1059    -20.3185      -1.64071     -5.22193      -1.42673      662.741  166.592       673.721  165.051      102.148  156.379       
1 1 1 9  6  5  o 0 8.45106  0.308211  4.87762       0.183129     -3.55316      -0.969371     290.153  -27.9032      333.71   -69.9498     223.526  -118.827      
1 1 1 9  6  6  o 0 8.69385  0.210016  7.4891        3.5495       -4.21732      -3.68614      368.421  -47.0646      263.45   -35.0869     83.6455  92.1184       
1 1 1 9  6  7  f 1 5.53249  0.118342  -0.50781      -0.43144     0.368068      -0.753212     337.757  143.109       102.417  -141.627     363.889  -52.6855      
1 1 1 9  6  8  o 0 4.80143  0.162595  -0.35831      0.0393498    -0.157298     0.371162      289.623  -87.172       143.421  140.091      437.941  106.746       
1 1 1 9  6  9  f 1 1.56459  0.725992  0.506764      -0.103457    -0.0397644    0.0243673     188.206  116.791       207.095  -54.3016     421.964  -58.8507      
1 1 1 9  6  10 o 0 4.21766  0.248319  0.440723      -0.645584    0.0516478     0.0765823     278.038  -126.415      94.1841  -24.1188     352.39   38.4472       
1 1 1 9  6  11 o 0 3.64848  0.51387   1.3756        0.300672     -0.144699     -0.0200198    117.466  41.3325       126.576  5.57011      79.7154  -70.5453      
1 1 1 9  6  12 o 0 7.35462  0.217963  0.393552      0.632611     -0.10682      -0.0759616    284.45   164.564       386.03   153.361      106.221  119.649       
1 1 1 9  6  13 < 0 0        1.54033   -0.0363185    -0.139028    -0.0256343    0.0141959     ?        ?             152.434  93.6258      ?        ?             
1 1 1 9  6  14 o 0 3.76183  0.446008  -0.160582     -0.253844    -0.00289117   0.00285737    117.771  92.1033       168.063  97.3101      58.595   107.191       
1 1 1 9  6  15 f 1 2.37171  1.10345   0.633007      -0.108157    -0.00870577   -0.0107981    54.3295  48.9064       92.1342  10.8505      58.3189  -27.9639      
1 1 1 9  6  16 o 0 1.35946  0.715282  0.814864      -0.115047    0.00643356    -0.00209254   61.1627  -1.06909      33.4718  -9.34248     29.3499  -171.624      
1 1 1 9  7  0  o 0 22.0499  0.101572  -0.780363     9.55637e-017 0             0             670.28   180           748.504  180          228.039  -180          
1 1 1 9  7  1  o 0 14.8297  0.080704  -0.207551     -0.110294    0.132689      -0.134274     363.622  -63.3569      562.95   -63.041      295.546  -62.7551      
1 1 1 9  7  2  o 0 30.7222  1.15315   -21.0281      1.01006      -5.31686      1.47336       1050.49  -165.459      1124.82  -161.967     386.85   -155.258      
1 1 1 9  7  3  o 0 35.7712  1.07794   21.5567       1.27731      -6.11639      0.577082      1134.02  41.1238       1717.56  38.5382      726.279  34.9996       
1 1 1 9  7  4  o 0 2.6077   0.50568   -5.28868      -0.2097      -1.93581      -0.0755413    307.993  11.6892       389.186  -171.756     655.761  -170.355      
1 1 1 9  7  5  o 0 12.0218  0.591322  -3.7378       3.86284      -0.112225     1.08129       517.999  170.364       414.348  143.995      199.265  57.8187       
1 1 1 9  7  6  f 1 2.78576  0.187372  0.00192176    -0.675406    0.713525      -0.282431     188.414  -17.6329      122.066  -174.889     323.483  170.756       
1 1 1 9  7  7  f 1 3.24165  0.183836  -1.42762      -1.06654     -0.0640748    -1.10838      299.157  -173.001      137.971  4.27799      467.644  6.19635       
1 1 1 9  7  8  f 1 5.64644  0.148574  0.280967      0.45902      0.225393      -0.13131      169.024  -107.151      44.8708  -54.7783     161.139  60.1082       
1 1 1 9  7  9  o 0 6.90817  0.298239  -4.73498      -1.73021     -1.24647      -0.695193     141.585  173.158       424.104  -159.587     289.114  -144.639      
1 1 1 9  7  10 f 1 8.15083  0.146399  0.03599       -0.142306    -0.0370333    0.0381356     393.158  -20.4453      287.794  -23.8076     153.113  165.884       
1 1 1 9  7  11 o 0 6.39704  0.212307  -0.220833     -0.330749    -0.0542828    -0.0439419    209.791  -142.035      242.291  -134.203     33.704   -63.6208      
1 1 1 9  7  12 o 0 4.21882  0.33858   0.0811218     0.047946     0.00398599    0.00134505    198.003  -107.002      137.272  -104.462     71.6879  68.1294       
1 1 1 9  7  13 f 1 1.21069  0.762466  0.148541      0.0884348    -0.00430702   -0.000177687  70.9654  60.9836       43.4357  -112.71      114.182  -116.622      
1 1 1 9  7  14 o 0 0.858093 0.828947  -0.0808579    -0.161288    0.000806667   0.00167534    67.3717  94.9016       52.4462  -89.047      115.18   -86.8952      
1 1 1 9  7  15 < 0 0        1.68018   0.0803131     0.12284      -0.00175442   0.00136698    ?        ?             100.223  85.5057      ?        ?             
1 1 1 9  7  16 o 0 2.92396  0.63676   -0.503077     0.350477     -0.00206517   -0.00123582   52.7767  137.944       178.647  139.924      125.364  140.767       
1 1 1 9  8  0  o 0 15.6397  0.0890078 0.167202      0            0             0             967.796  180           532.294  180          221.173  -4.01851e-014 
1 1 1 9  8  1  o 0 15.1203  0.0955813 -0.657603     0.0166018    -0.310743     0.326337      344.631  129.328       581.004  129.718      325.759  130.023       
1 1 1 9  8  2  o 0 4.43657  0.843051  -7.74968      14.4425      3.30225       5.37863       54.755   37.2935       237.164  112.447      229.521  124.492       
1 1 1 9  8  3  o 0 22.1598  1.08458   17.3944       -2.11361     -4.19697      0.441099      823.551  10.7374       935.143  -0.0475662   260.588  -31.4461      
1 1 1 9  8  4  o 0 4.17057  0.102644  0.499841      0.675679     -0.497146     -2.55387      108.644  107.846       47.9911  132.149      54.2413  -93.5077      
1 1 1 9  8  5  o 0 10.84    0.0776059 -3.77424      -1.82532     -15.9649      -3.3603       578.238  -99.5172      336      -71.6513     255.08   42.4815       
1 1 1 9  8  6  o 0 5.89183  0.436972  -3.54772      13.8005      3.84642       1.77977       385.066  117.816       72.8035  112.7        354.814  -61.1353      
1 1 1 9  8  7  o 0 3.45666  0.226038  5.01641       1.00479      -2.86186      -0.769813     340.872  17.0164       190.317  177.666      560.482  -169.444      
1 1 1 9  8  8  o 0 9.78986  0.174756  -1.53476      -1.32448     -0.260379     -0.485702     135.21   -159.516      642.803  -147.374     492.894  -143.595      
1 1 1 9  8  9  o 0 7.70378  0.154446  0.719436      -0.311456    -0.0512037    0.126055      436.378  5.53678       206.76   -0.267017    289.279  -170.318      
1 1 1 9  8  10 o 0 13.3607  0.116502  -0.447467     -0.125766    0.26607       0.19428       557.388  105.716       629.869  110.195      49.4966  -170.67       
1 1 1 9  8  11 o 0 7.13334  0.338188  0.419637      0.70208      -0.00200073   -0.0554464    178.572  -133.719      430.55   -137.078     240.699  -139.735      
1 1 1 9  8  12 o 0 5.1953   0.274983  0.0209502     0.250256     -9.48823e-006 -0.0076877    192.986  153.393       238.775  147.482      44.7898  120.094       
1 1 1 9  8  13 o 0 3.85594  0.398799  -0.412585     0.286749     0.0149581     -0.00238399   165.452  -120.084      122.14   -146.622     78.2885  104.107       
1 1 1 9  8  14 o 0 3.48477  0.594763  0.39259       -0.189675    -0.00341934   -0.00350686   138.365  167.475       127.361  170.93       7.6787   -101.46       
1 1 1 9  8  15 o 0 0.836759 0.832058  0.0828665     -0.145846    0.000796875   -0.000911055  72.0179  -157.828      43.5587  13.2857      119.967  18.9566       
1 1 1 9  8  16 < 1 0        1.76499   0.42752       0.121217     0.00106603    -0.000254711  ?        ?             29.9603  -20.3635     ?        ?             
1 1 1 9  9  0  o 0 17.0353  0.131067  -0.422116     5.16926e-017 0             0             85.4566  180           444.999  180          360.654  -180          
1 1 1 9  9  1  o 0 13.715   0.0905417 0.048805      0.0281776    0             0             389.663  -150          545.201  -150         177.546  -150          
1 1 1 9  9  2  o 0 10.5071  0.0849662 -0.0140861    -0.0243979   0             0             446.514  60            393.76   60           11.7147  -120          
1 1 1 9  9  3  o 0 15.4564  0.0964436 1.68421e-016  0.550123     0             0             445.249  90            594.472  90           201.432  90            
1 1 1 9  9  4  o 0 4.30116  0.135181  0.0430012     -0.0744803   0             0             213.59   -60           67.2282  -60          117.838  120           
1 1 1 9  9  5  o 0 0        1.22474   -0.00687474   0.00396913   0             0             195.89   -30           0        0            216.861  150           
1 1 1 9  9  6  o 0 1.84391  0.376061  0.0590004     0            0             0             36.8501  -180          2.91499  0            43.4227  4.42532e-014  
1 1 1 9  9  7  o 0 4.20714  0.225299  -0.0287672    -0.0166088   0             0             121.671  -150          45.3913  -150         87.5773  30            
1 1 1 9  9  8  o 0 6.16441  0.188794  0.177349      0.307177     0             0             206.571  -120          174.815  -120         57.4509  60            
1 1 1 9  9  9  o 0 8.14248  0.197778  -4.01279e-017 -0.218453    0             0             336.506  -90           392.417  -90          18.0041  -90           
1 1 1 9  9  10 f 1 10.7331  0.187687  -0.0758737    0.131417     0             0             235.598  -60           491.39   -60          237.178  -60           
1 1 1 9  9  11 o 0 5.15752  0.378376  0.130517      -0.0753542   0             0             293.557  150           250.093  150          56.9157  -30           
1 1 1 9  9  12 o 0 0        2.04939   0.022283      0            0             0             20.969   7.72024e-015  0        0            21.3204  -180          
1 1 1 9  9  13 o 0 2.12132  0.783557  0.0683        0.039433     0             0             63.7241  -150          38.5618  -150         21.597   30            
1 1 1 9  9  14 f 1 1.34164  0.960379  -0.032679     -0.0566017   0             0             14.2113  60            0.23693  60           12.4108  -120          
1 1 1 9  9  15 o 0 1.87083  0.897282  -1.43085e-017 -0.0778944   0             0             32.2416  -90           45.1952  -90          11.3868  -90           
1 1 1 10 0  0  f 1 20.6664  0.148925  -0.192651     2.35922e-017 0             0             659.959  -2.46978e-013 729.353  0            195.753  6.73232e-013  
1 1 1 10 0  1  o 0 6.08276  0.0730959 0.0153213     0.0265372    0             0             342.229  -120          130.143  -120         129.047  60            
1 1 1 10 0  2  o 0 9.27901  0.0695277 -0.00778874   0.0134905    0             0             208.831  -60           182.306  -60          31.4593  -60           
1 1 1 10 0  3  o 0 39.2594  0.162346  0.760009      0            0             0             1836.69  180           1217.62  180          85.4005  -1.19078e-013 
1 1 1 10 0  4  o 0 66.1793  0.244639  0.477142      0.826435     0             0             2597.1   60            2142.39  60           219.246  60            
1 1 1 10 0  5  f 1 8.17924  0.0966595 0.0639235     -0.110719    0             0             383.877  120           209.166  120          72.3599  -60           
1 1 1 10 0  6  o 0 16.6763  0.110205  0.0714895     0            0             0             544.647  -1.20602e-015 692.182  0            174.236  3.58511e-015  
1 1 1 10 0  7  f 1 7.66159  0.13466   -0.0350839    -0.060767    0             0             343.298  60            231.607  60           89.5006  -120          
1 1 1 10 0  8  o 0 6.13188  0.182058  -0.120095     0.208011     0             0             463.765  -60           225.603  -60          338.391  120           
1 1 1 10 0  9  f 1 4.62601  0.226428  -0.0822408    1.00713e-017 0             0             230.671  -8.6188e-015  75.0153  0            196.203  180           
1 1 1 10 0  10 o 0 8.19756  0.184864  0.0680704     0.117901     0             0             228.291  60            401.402  60           126.757  60            
1 1 1 10 0  11 o 0 8.46759  0.224271  0.0404053     -0.069984    0             0             428.02   120           428.847  120          66.9508  -60           
1 1 1 10 0  12 o 0 1.92354  0.743474  0.0207605     0            0             0             146.868  -8.58285e-015 22.3888  0            139.823  180           
1 1 1 10 0  13 o 0 6.9857   0.321282  0.0918941     0.159165     0             0             147.604  -120          317.967  -120         167.85   -120          
1 1 1 10 0  14 o 0 0.632456 0.96109   -0.0879162    0.152275     0             0             37.5032  120           7.22324  120          27.1107  -60           
1 1 1 10 0  15 o 0 3.27109  0.743254  -0.574632     7.03698e-017 0             0             79.611   -2.04208e-014 49.6795  0            17.8832  180           
1 1 1 10 0  16 o 0 0        2.30217   -0.0753566    -0.130522    0             0             99.8223  60            0        0            95.1228  -120          
1 1 1 10 1  0  o 0 10.0548  0.0740436 0.158473      0            0             0             725.342  180           333.517  180          222.433  -4.55313e-013 
1 1 1 10 1  1  o 0 21.4285  2.45225   0.206511      21.6931      4.84312       -0.476591     825.304  119.683       723.471  107.736      191.442  68.2119       
1 1 1 10 1  2  o 0 8.39155  0.999259  -2.53024      -3.15064     0.138734      -0.950288     662.835  -105.516      34.4993  167.849      453.37   78.8403       
1 1 1 10 1  3  o 0 34.44    0.152825  -0.24644      1.43065      0.986247      -1.55746      1130.61  -23.7653      1299.53  -22.254      501.211  -19.8444      
1 1 1 10 1  4  o 0 44.6518  0.293446  -1.48818      2.24075      0.882288      0.306728      1833.51  149.907       1449.11  150.9        149.275  159.583       
1 1 1 10 1  5  o 0 13.6001  0.351861  1.52136       1.56222      -0.11788      -0.520455     598.637  8.23575       363.357  18.5676      97.3116  146.193       
1 1 1 10 1  6  o 0 10.5766  1.175     -18.0173      3.79761      -2.67895      1.36027       386.497  -179.926      462.084  167.479      138.256  133.288       
1 1 1 10 1  7  o 0 9.03819  0.382611  -8.50553      5.55747      -1.50333      2.58131       256.422  132.092       400.64   132.493      163.156  133.078       
1 1 1 10 1  8  o 0 2.50295  0.240256  -0.0502155    0.455116     0.0844817     -0.00330077   114.883  85.0136       58.5483  -105.914     194.857  -98.2516      
1 1 1 10 1  9  o 0 17.709   0.0990938 0.183837      0.4893       -0.012364     -0.0850313    907.198  105.9         683.876  103.698      386.453  -70.1999      
1 1 1 10 1  10 o 0 4.895    0.192757  -0.228589     -0.487213    0.0259737     -0.0792544    449.384  -45.6997      111.629  162.745      637.017  139.088       
1 1 1 10 1  11 o 0 6.51117  0.191242  -0.0487487    -0.210454    -0.102734     -0.0718603    220.06   16.4902       213.209  4.09244      65.0503  -118.786      
1 1 1 10 1  12 o 0 7.29887  0.206026  -0.782546     -0.392723    -0.146912     0.0222237     486.362  -75.2034      189.719  -89.673      345.242  112.689       
1 1 1 10 1  13 o 0 3.89564  0.608034  0.642671      -0.306913    0.00172218    0.0269367     158.65   81.4298       136.143  44.8522      97.1418  -41.9378      
1 1 1 10 1  14 o 0 0.961477 0.819375  -0.101546     -0.02754     0.00194687    -0.000133943  30.3405  -99.6527      17.5263  93.8559      45.3791  85.5235       
1 1 1 10 1  15 o 0 2.86356  0.564945  0.0283801     -0.498806    -0.00558892   -0.00104916   43.6761  -69.4188      100.119  -77.8245     63.032   -82.8449      
1 1 1 10 1  16 o 0 0.831323 0.795144  0.489692      -0.0723261   0.00422749    0.00047926    47.7195  15.2794       12.571   -130.476     57.3104  -157.63       
1 1 1 10 2  0  o 0 4.28952  0.091287  -0.0542355    6.64171e-018 0             0             380.206  -180          81.7735  -180         198.354  1.64288e-013  
1 1 1 10 2  1  o 0 39.317   0.885876  -2.893        -0.553493    -0.617831     -0.000362864  1911.35  -114.874      1033.89  -118.02      291.318  76.356        
1 1 1 10 2  2  o 0 12.0676  2.16766   -2.84457      -10.9339     1.41079       -0.697649     477.874  -114.514      351.21   -105.144     64.0814  -51.3459      
1 1 1 10 2  3  o 0 21.3783  1.21681   2.26648       10.2315      4.15597       -1.14252      917.93   28.1012       628.602  29.1359      11.4811  126.75        
1 1 1 10 2  4  o 0 34.3091  0.319214  -0.668437     0.800587     -0.157775     0.203259      1718.12  -104.62       862.83   -107.732     328.06   83.5896       
1 1 1 10 2  5  o 0 33.0098  0.310446  2.96994       -0.623775    -1.72176      -0.770903     1366.39  -56.3355      1320.46  -57.2893     107.931  -68.0863      
1 1 1 10 2  6  o 0 19.8931  0.26096   0.767963      -3.9682      2.36967       -0.185763     958.306  -23.0943      669.366  -25.2732     195.427  164.388       
1 1 1 10 2  7  o 0 13.134   0.0854672 -0.517877     -0.73158     0.0637723     3.11805       767.657  -124.549      429.24   -144.254     516.656  71.7192       
1 1 1 10 2  8  o 0 7.26325  0.187151  -2.22752      0.992079     -0.600028     0.432171      296.477  176.537       247.633  150.512      165.865  37.463        
1 1 1 10 2  9  o 0 8.45751  0.11921   0.170082      0.891216     0.192111      -0.275027     133.884  -61.5248      374.927  -20.3131     277.96   1.18335       
1 1 1 10 2  10 o 0 11.2584  0.114773  -0.182867     -0.147856    -0.0308081    0.219581      421.901  121.204       586.741  121.635      86.9865  124.114       
1 1 1 10 2  11 f 1 6.82072  0.273964  0.683416      0.403332     -0.00882573   -0.0626209    486.071  -118.451      83.3148  -67.6043     503.208  54.1719       
1 1 1 10 2  12 o 0 3.59401  0.391613  -0.172873     0.214087     -0.00374104   0.010271      115.294  29.6877       111.544  49.5791      42.8443  147.337       
1 1 1 10 2  13 o 0 1.78112  0.847282  0.44061       -0.0921515   -0.00745197   0.023577      70.3104  64.657        41.1779  -57.6271     100.749  -95.1285      
1 1 1 10 2  14 o 0 2.85862  0.699218  0.0537839     0.360494     0.00275324    0.00431463    55.5777  -6.06421      88.3606  21.0163      48.213   50.4818       
1 1 1 10 2  15 o 0 3.6998   0.497078  -1.10028      0.51653      0.0292097     0.00420706    114.591  1.03982       163.956  26.4506      73.9419  73.1182       
1 1 1 10 2  16 < 0 0        1.45934   -0.296948     -0.256622    0.00121823    0.00638691    ?        ?             55.9298  61.8474      ?        ?             
1 1 1 10 3  0  o 0 19.4088  0.102503  0.485117      0            0             0             648.324  180           612.395  180          144.317  -180          
1 1 1 10 3  1  o 0 22.2826  0.700145  1.07184       5.50664      2.78748       -2.18925      1515.92  128.48        281.797  142.577      758.884  -56.7095      
1 1 1 10 3  2  o 0 19.6982  0.935603  0.556311      2.74252      0.536596      -0.108121     1042.71  37.1393       433.604  44.3025      288.228  -153.673      
1 1 1 10 3  3  o 0 28.8096  0.224654  0.941788      2.51563      0.25657       -1.74357      1106.32  86.3309       928.052  96.0486      228.897  129.517       
1 1 1 10 3  4  o 0 5.32947  0.51611   -1.13479      -3.93214     0.93572       -0.504447     191.508  -128.102      126.409  -101.48      59.1352  -21.4181      
1 1 1 10 3  5  o 0 20.2343  0.25173   1.81924       2.21835      -0.399639     -1.40523      911.323  102.528       708.568  101.15       88.9282  -66.4238      
1 1 1 10 3  6  o 0 9.28126  0.181366  -0.789624     -0.932344    0.350285      -0.548834     444.821  -170.612      234.321  -172.958     159.494  12.8356       
1 1 1 10 3  7  o 0 8.62894  0.265505  0.147795      -5.41295     1.42792       -0.140112     240.271  -49.4581      490.619  -75.7942     271.706  -102.691      
1 1 1 10 3  8  o 0 3.9877   0.16852   0.0782218     0.247917     -0.0485323    -0.323595     233.354  39.8248       127.277  -153.46      394.779  -144.424      
1 1 1 10 3  9  o 0 9.93289  0.209118  -0.193604     3.13337      1.09505       0.590688      421.551  42.7648       490.919  49.6466      60.7095  147.086       
1 1 1 10 3  10 o 0 8.43174  0.133648  -0.125317     0.111576     0.0880469     -0.000877311  409.791  160.885       312.303  161.304      169.103  -19.8893      
1 1 1 10 3  11 o 0 1.69467  0.530632  -0.158555     0.318863     0.0455755     0.0258917     168.347  32.1379       155.303  -158.195     346.97   -152.467      
1 1 1 10 3  12 o 0 3.00959  0.434266  -0.012454     0.112288     -0.0244963    -0.0170005    234.061  123.551       8.29126  -13.7583     259.181  -55.2062      
1 1 1 10 3  13 o 0 0.690522 0.748771  -0.0695612    -0.0919599   0.00421779    0.00340758    138.21   -143.983      126.675  35.5401      269.687  35.7929       
1 1 1 10 3  14 f 1 1.90111  0.651591  0.0819785     -0.00122445  0.000218931   -0.00049123   98.6591  103.937       7.39488  53.9653      87.1107  -72.3365      
1 1 1 10 3  15 < 0 0        1.64233   0.0736543     -0.238118    0.000432238   -0.00561355   ?        ?             21.9455  27.1919      ?        ?             
1 1 1 10 3  16 o 0 1.69016  0.781222  0.217081      0.0443447    0.000846911   -0.000260302  43.61    156.433       24.5601  132.918      23.5003  1.07752       
1 1 1 10 4  0  o 0 7.12039  0.0764184 -0.123429     1.51152e-017 0             0             498.004  -180          210.063  -180         162.342  1.47316e-013  
1 1 1 10 4  1  o 0 16.6815  0.062216  0.0888982     -0.130737    0.120222      -0.117535     826.226  159.423       398.558  160.381      184.856  -22.6414      
1 1 1 10 4  2  o 0 27.66    1.60575   3.71124       -24.9715     4.69936       2.0561        1037.96  -59.2313      920.727  -71.7337     276.569  -105.342      
1 1 1 10 4  3  o 0 19.3707  0.981956  10.0095       20.7348      7.54925       -7.25949      964.961  -18.7957      570.846  26.259       472.468  102.427       
1 1 1 10 4  4  o 0 9.51496  0.294515  -1.41071      -3.12918     0.966861      -1.69651      405.825  -85.414       287.924  -61.0549     145.834  40.066        
1 1 1 10 4  5  o 0 5.98159  0.654478  3.47289       7.05906      1.08875       -1.59424      73.8256  42.6467       317.872  68.4783      262.013  74.5591       
1 1 1 10 4  6  o 0 11.4046  0.474668  6.70402       13.3745      2.9137        -3.13082      704.937  71.857        211.094  42.98        442.165  -94.8132      
1 1 1 10 4  7  o 0 1.98659  0.783017  1.14356       -4.26723     0.779811      0.49877       175.854  -95.3222      68.1632  42.0897      254.428  74.2323       
1 1 1 10 4  8  o 0 9.81728  0.0996249 0.649581      0.342557     0.0776947     -0.384427     478.729  146.387       327.446  119.844      292.658  -3.61411      
1 1 1 10 4  9  f 1 4.12694  0.198467  0.46922       -0.261277    -0.0235882    0.0652683     107.662  -80.7741      97.3524  -32.5319     94.2489  48.8243       
1 1 1 10 4  10 o 0 9.66186  0.124261  -0.143563     -0.38728     -0.575377     -0.180106     443.079  -69.8621      421.407  -79.215      121.084  144.582       
1 1 1 10 4  11 o 0 10.2641  0.140576  0.101358      0.00800551   0.00975515    0.0156947     263.765  47.4093       603.239  45.762       302.988  44.1282       
1 1 1 10 4  12 o 0 3.10728  0.406576  -0.0067906    0.202412     0.00838267    0.0121098     130.409  120.238       69.171   111.23       72.9656  -51.2262      
1 1 1 10 4  13 f 1 3.3277   0.433175  0.182665      0.183134     0.0106229     0.00554219    253.575  -113.963      8.69868  -65.2947     252.665  64.5558       
1 1 1 10 4  14 o 0 4.04609  0.414768  0.127033      0.217389     0.00100782    0.00144165    188.099  -108.699      156.448  -107.605     21.8572  63.4452       
1 1 1 10 4  15 o 0 2.37622  1.11623   -0.494343     -0.090721    -0.000550069  -0.00928298   40.9816  -123.076      83.0976  -152.279     48.6718  -179.484      
1 1 1 10 4  16 < 0 0        1.65013   -0.266685     -0.460954    0.000971677   0.00760744    ?        ?             34.9569  163.071      ?        ?             
1 1 1 10 5  0  o 0 5.31977  0.0832762 0.212393      0            0             0             244.405  -5.5764e-014  106.203  0            76.2478  180           
1 1 1 10 5  1  o 0 17.0177  0.642705  -3.80208      -10.4281     5.46749       -3.12344      697.548  -168.285      540.587  -168.695     47.327   -172.978      
1 1 1 10 5  2  o 0 17.7504  0.0653484 0.435086      0.205457     0.9722        0.717824      648.211  -158.483      574.13   -160.705     133.034  -168.114      
1 1 1 10 5  3  o 0 20.2228  0.611062  -6.80595      3.38379      -1.01378      2.15979       1295.27  -166.192      294.829  -169.783     575.645  15.646        
1 1 1 10 5  4  o 0 16.7058  1.27153   -13.8646      0.930834     -1.84241      0.089605      491.605  -114.468      917.148  -172.214     778.858  160.757       
1 1 1 10 5  5  f 1 5.57055  0.0900951 -0.0284732    0.195201     0.061517      0.505687      285.939  74.7009       37.7314  -0.902177    234.607  -96.3372      
1 1 1 10 5  6  o 0 9.906    0.555804  -2.8016       -26.4116     9.4888        -1.22737      562.112  -131.837      309.026  -144.055     331.872  59.5277       
1 1 1 10 5  7  o 0 7.24927  0.227606  5.2615        7.35094      3.18049       -5.80049      665.657  4.22133       161.695  -110.559     829.252  -165.582      
1 1 1 10 5  8  o 0 1.74288  0.346628  0.160442      0.553704     0.184278      -0.206016     14.0409  -151.759      52.5479  64.7371      65.9512  56.5284       
1 1 1 10 5  9  o 0 8.85619  0.148374  -0.0865184    -0.318731    0.0118676     -0.0190055    83.3518  112.05        289.393  129.333      198.815  137.674       
1 1 1 10 5  10 o 0 10.5891  0.121703  0.0711459     0.182652     -0.058438     0.0749726     439.365  135.871       491.684  131.495      40.7056  23.0321       
1 1 1 10 5  11 o 0 2.0726   0.484105  -0.125706     0.321853     0.0322031     0.0101178     125.23   -135.967      117.446  60.0563      256.399  51.2968       
1 1 1 10 5  12 o 0 6.47054  0.472546  -0.971392     0.0140071    -0.0351655    0.0241682     215.379  59.4954       357.488  74.5622      147.56   98.5275       
1 1 1 10 5  13 o 0 3.62692  0.784616  0.24814       -0.495199    -0.00189312   0.0112961     116.328  -26.6853      136.346  -42.7434     39.3146  -100.285      
1 1 1 10 5  14 o 0 3.91139  1.71961   -0.255069     -0.355935    0.00333276    -0.00253988   56.3141  -49.5133      184.94   -67.0924     135.104  -73.9337      
1 1 1 10 5  15 f 1 1.11904  0.78818   -0.0490417    0.0282549    -3.28255e-005 -0.000157262  77.275   -42.7243      23.0433  138.906      106.178  137.629       
1 1 1 10 5  16 o 0 2.74076  1.28153   -0.0245487    -0.215411    0.000243253   0.000467517   47.5944  -90.8666      147.508  -91.6691     98.8523  -92.0642      
1 1 1 10 6  0  o 0 22.0885  0.105882  -0.343795     4.21014e-017 0             0             1275.59  -2.61914e-015 721.49   0            231.577  180           
1 1 1 10 6  1  o 0 20.8848  0.0699559 0.334022      0.0137072    0.00153201    0.241566      863.552  31.7875       639.737  31.99        26.1468  36.7499       
1 1 1 10 6  2  o 0 33.055   0.630238  1.87761       -10.2574     4.24842       3.96926       1451.33  12.6278       984.183  -1.32639     240.77   -87.0657      
1 1 1 10 6  3  o 0 15.4943  0.664051  1.41522       6.18625      1.49513       -0.445511     270.445  76.2309       809.131  71.1039      579.042  69.0575       
1 1 1 10 6  4  o 0 30.8144  0.740626  3.73423       6.43445      1.28276       -1.16034      1114.16  78.6924       1302.76  73.9356      367.205  61.5826       
1 1 1 10 6  5  o 0 13.767   0.183979  -6.60858      -3.52993     -2.1702       -8.75444      585.191  153.701       533.964  131.04       205.809  62.0863       
1 1 1 10 6  6  o 0 13.1505  0.372946  10.3161       13.1535      3.36325       -7.77372      510.895  91.8648       566.652  111.347      191.556  -168.739      
1 1 1 10 6  7  o 0 8.81237  0.301529  -0.709918     7.93704      2.21297       0.0867206     268.57   81.8879       449.514  104.235      207.125  137.492       
1 1 1 10 6  8  o 0 11.6915  0.174123  2.26555       -1.50318     -0.0183236    0.972388      449.803  -27.3126      575.228  -19.4833     106.804  19.8826       
1 1 1 10 6  9  o 0 11.299   0.123224  -1.38375      -1.36503     0.819788      -0.934697     601.53   155.984       428.065  172.732      307.824  -47.6393      
1 1 1 10 6  10 f 1 8.75     0.295411  2.29517       0.485041     -0.302826     -0.0429491    96.9893  155.733       554.138  40.309       608.781  31.0278       
1 1 1 10 6  11 o 0 4.48746  0.297191  0.224716      -0.801053    0.110142      0.000483806   125.596  -17.1295      149.55   -64.837      117.543  -126.885      
1 1 1 10 6  12 o 0 3.89201  0.363596  0.188478      0.0899549    0.0036618     -0.00682702   165.533  -90.567       123.163  -80.0464     58.9902  67.024        
1 1 1 10 6  13 o 0 3.19404  0.473337  0.451715      0.651695     0.0599524     0.0140952     104.272  27.293        115.347  44.312       33.945   111.322       
1 1 1 10 6  14 o 0 2.27052  0.589831  0.134364      0.818433     -0.0213183    0.03072       156.131  -8.41428      51.9588  72.5331      148.095  151.314       
1 1 1 10 6  15 o 0 2.99545  0.943707  -0.454721     0.715321     0.0117803     -0.00369209   50.7485  -83.0832      133.651  -103.893     84.231   -117.395      
1 1 1 10 6  16 o 0 2.1733   0.614352  -0.452208     -0.304888    0.00305016    -0.000144818  49.9596  110.979       85.8321  143.813      51.045   176.722       
1 1 1 10 7  0  o 0 12.7515  0.0856868 0.624762      0            0             0             443.406  -8.29496e-014 413.58   0            82.155   3.3463e-013   
1 1 1 10 7  1  o 0 7.63474  0.459001  0.0852675     -4.41715     1.61864       0.241721      376.539  -122.406      137.85   -109.531     137.848  44.719        
1 1 1 10 7  2  o 0 3.4424   0.0895784 -0.0472047    0.0496411    -0.107491     -0.555727     353.05   -58.5708      182.167  119.482      491.565  120.708       
1 1 1 10 7  3  o 0 24.556   0.104636  -0.211505     -0.355988    0.168695      0.167413      1146.57  -124.017      817.251  -126.189     170.074  66.4793       
1 1 1 10 7  4  o 0 6.64488  0.771691  -10.2643      -5.03203     -1.66819      -2.42218      413.826  -164.124      91.221   -151.349     263.487  11.4861       
1 1 1 10 7  5  o 0 8.95005  0.0820452 0.678106      0.384548     3.21015       -1.8206       341.54   10.9643       375.658  -24.3709     217.91   -74.6255      
1 1 1 10 7  6  o 0 5.80326  0.161703  0.599246      -3.99823     2.57677       1.42705       174.212  -120.775      209.478  -138.614     64.6772  156.413       
1 1 1 10 7  7  o 0 8.79859  0.394819  -8.46664      -19.5141     5.46025       -7.30617      525.82   -69.0703      251.991  -53.2801     343.17   99.4034       
1 1 1 10 7  8  o 0 11.7748  0.122534  -1.77199      0.610079     -0.270054     0.76798       595.58   -176.75       457.748  -168.768     234.587  -12.4716      
1 1 1 10 7  9  o 0 4.45256  0.213214  0.651424      0.26125      -0.121559     -0.0608345    176.629  120.138       129.017  40.2101      218.589  -24.3323      
1 1 1 10 7  10 o 0 11.8022  0.12413   0.000488611   -0.28873     0.00103931    0.0979051     298.158  1.6813        722.017  -0.47313     387.694  -2.33332      
1 1 1 10 7  11 o 0 4.74284  0.261523  -0.16163      -0.146781    0.0694844     0.0684961     190.715  164.777       205.739  173.679      31.8885  -101.901      
1 1 1 10 7  12 o 0 0.884726 0.755049  -0.345758     -0.242908    -0.0795742    0.0358632     70.6021  -56.4959      64.5658  139.861      137.175  131.121       
1 1 1 10 7  13 < 0 0        1.57313   -0.0413795    -0.0892366   0.0011659     0.00390406    ?        ?             100.927  -171.459     ?        ?             
1 1 1 10 7  14 o 0 3.68865  0.696948  -0.0189284    -0.466483    -0.000701524  -0.00598862   49.6826  -24.388       162.407  -44.6956     119.961  -52.4134      
1 1 1 10 7  15 o 0 3.19972  0.557048  -0.0270786    -0.454724    -0.00101473   0.0027264     32.547   -169.47       182.523  -150.811     149.513  -146.48       
1 1 1 10 8  0  o 0 31.8465  0.136011  0.398035      0            0             0             807.456  7.75516e-015  1319.81  0            554.364  -1.07081e-014 
1 1 1 10 8  1  o 0 11.8004  0.416706  1.56777       3.89859      1.4875        -0.963211     453.066  133.847       461.5    114.433      155.165  52.5098       
1 1 1 10 8  2  o 0 14.6157  1.12717   -11.9622      17.158       2.06261       4.43454       373.334  139.253       734.508  134.781      408.081  131.186       
1 1 1 10 8  3  o 0 19.4216  0.308967  0.958761      -2.05038     0.548116      0.29241       548.375  -131.382      913.465  -121.611     456.062  -111.509      
1 1 1 10 8  4  o 0 2.19885  0.254067  4.43506       3.52127      -0.667633     -4.27334      132.692  -21.9795      49.3628  122.164      155.323  147.292       
1 1 1 10 8  5  o 0 6.46573  0.755711  4.65911       43.446       12.9017       -3.30366      225.878  88.4541       300.646  104.125      91.9603  150.47        
1 1 1 10 8  6  o 0 4.54673  0.645087  2.41583       -19.5792     4.31371       0.883148      96.8757  -80.8947      290.377  -79.4845     184.951  -78.6804      
1 1 1 10 8  7  o 0 8.06444  0.168883  -1.20389      2.66275      1.2502        0.800845      518.812  175.088       163.184  141.898      437.119  6.87977       
1 1 1 10 8  8  o 0 6.16448  0.144949  0.257884      0.0351635    -0.0663924    0.272016      200.105  99.2276       219.316  70.3606      110.9    -8.07535      
1 1 1 10 8  9  o 0 12.3     0.109458  0.0639049     0.131964     0.0296681     0.0644798     480.163  72.5342       609.361  70.9533      74.3689  59.4696       
1 1 1 10 8  10 o 0 10.6715  0.135021  -1.21892      0.192659     -0.373874     -0.205324     233.748  -140.333      640.757  -150.156     388.754  -156.664      
1 1 1 10 8  11 o 0 2.3679   0.483045  0.27265       0.096232     -0.00691257   -0.0199822    159.771  -29.6988      24.209   103.268      186.456  144.849       
1 1 1 10 8  12 o 0 5.51945  0.354     0.807969      0.544022     -0.0671175    -0.0122262    218.301  86.4422       260.907  72.788       67.7258  21.0187       
1 1 1 10 8  13 o 0 2.71458  1.22976   0.83551       -0.135354    -0.0185534    0.0257244     104.866  11.1149       102.62   0.89378      18.2106  -78.3082      
1 1 1 10 8  14 o 0 3.07427  0.497257  0.52176       0.794234     -0.0164031    0.0283996     76.2459  116.217       142.87   85.0121      90.3757  61.2288       
1 1 1 10 8  15 o 0 2.03927  0.965278  0.240757      0.359684     -0.00360851   -0.00105616   43.6648  -178.45       59.5971  147.091      33.7985  95.4372       
1 1 1 10 9  0  o 0 3.40588  0.154332  0.058441      0            0             0             65.0666  -1.7307e-013  19.9854  0            41.2756  180           
1 1 1 10 9  1  f 1 3.49252  0.106046  -0.10585      -0.0274736   -0.051711     -0.188075     359.902  75.8165       210.761  -110.368     531.469  -106.632      
1 1 1 10 9  2  o 0 7.73142  1.05164   14.9639       10.7263      -1.46392      -3.74977      346.885  25.1892       256.425  46.804       115.447  150.285       
1 1 1 10 9  3  o 0 15.4309  0.069476  0.0201709     -0.100131    -0.0290376    0.0226455     284.714  59.2179       721.027  58.0659      476.754  57.4754       
1 1 1 10 9  4  o 0 3.20308  0.141317  2.45516       -0.470259    -1.73839      1.01073       87.0427  -9.17798      42.6908  40.4513      74.8591  145.07        
1 1 1 10 9  5  o 0 8.00103  0.0915351 0.253585      1.38488      1.91842       0.409022      202.492  55.6553       380.105  15.2245      256.275  -18.4765      
1 1 1 10 9  6  o 0 11.6586  0.665651  -21.8799      -25.2705     1.97774       -8.42595      546.481  -100.197      534.309  -146.91      448.076  140.032       
1 1 1 10 9  7  o 0 4.5755   0.159215  0.354721      -0.949431    1.51392       0.219224      291.183  -57.7152      147.236  39.9984      360.748  98.4282       
1 1 1 10 9  8  o 0 2.86356  0.26506   -0.114038     -0.139754    -0.219474     0.413515      256.758  166.49        163.544  -28.3478     444.299  -18.9186      
1 1 1 10 9  9  f 1 15.1747  0.107402  -0.0278246    0.81192      -0.380372     0.701132      649.9    -133.955      722.771  -133.534     20.5774  -119.019      
1 1 1 10 9  10 o 0 12.9199  0.123077  0.255326      -0.85364     0.134513      -0.178974     553.17   -112.089      580.439  -105.679     68.8103  -2.41967      
1 1 1 10 9  11 o 0 4.39718  0.314509  -0.508923     0.653958     0.105763      0.0758088     133.787  174.237       213.156  159.854      85.8205  136.142       
1 1 1 10 9  12 f 1 3.00375  0.458254  0.0907894     -0.18062     -0.00258287   0.00379341    133.994  32.6088       48.0602  5.93444      93.2613  -134.015      
1 1 1 10 9  13 o 0 4.10428  0.392079  -0.329844     -0.421253    0.0080919     0.0152048     156.973  100.926       182.066  110.133      42.9302  143.657       
1 1 1 10 9  14 o 0 2.14743  1.00828   -0.209412     -0.24217     -0.00445342   0.000385949   44.2245  -13.5184      34.3238  -82.694      49.631   -153.248      
1 1 1 10 9  15 < 0 0        1.65145   0.226402      -0.169568    -0.000336031  -0.00229599   ?        ?             34.1417  93.6538      ?        ?             
1 1 1 10 10 0  f 1 43.6829  0.249244  0.334555      0            0             0             2112.32  180           1775.63  180          158.459  -1.5199e-013  
1 1 1 10 10 1  o 0 1.51658  0.27507   0.0192268     0.0111006    0             0             115.084  30            5.30928  30           98.2542  -150          
1 1 1 10 10 2  f 1 18.251   0.103515  -0.246452     -0.426867    0             0             315.576  -120          690.419  -120         418.922  -120          
1 1 1 10 10 3  o 0 17.8045  0.103305  -5.21057e-017 -0.28366     0             0             659.72   -90           858.127  -90          130.704  -90           
1 1 1 10 10 4  o 0 14.5052  0.109476  0.681854      -1.18101     0             0             476.114  -60           687.025  -60          170.859  -60           
1 1 1 10 10 5  o 0 6.21289  0.141596  -0.212746     0.122829     0             0             162.771  -30           41.2565  -30          133.203  150           
1 1 1 10 10 6  o 0 25.02    0.14899   0.0873758     0            0             0             781.961  0             1163.13  0            331.61   0             
1 1 1 10 10 7  o 0 0        1.44914   -0.0150995    -0.00871767  0             0             86.5219  30            0        0            94.7145  -150          
1 1 1 10 10 8  o 0 9.40213  0.167175  -0.0130286    -0.0225662   0             0             473.878  60            449.319  60           65.6326  -120          
1 1 1 10 10 9  o 0 1.76068  0.620101  -5.91411e-018 -0.032196    0             0             116.212  -90           15.9786  -90          109.067  90            
1 1 1 10 10 10 o 0 2.62679  0.554962  -0.00493155   0.0085417    0             0             61.4995  -60           14.3949  -60          50.8713  120           
1 1 1 10 10 11 o 0 4.26615  0.43406   0.0680662     -0.0392981   0             0             165.059  -30           183.991  -30          16.3939  -30           
1 1 1 10 10 12 o 0 3.98748  0.488187  -0.078482     9.61096e-018 0             0             148.284  180           158.688  180          11.8327  -180          
1 1 1 10 10 13 o 0 1.09545  0.956651  0.0601382     0.0347208    0             0             106.589  -150          17.0002  -150         81.4033  30            
1 1 1 10 10 14 o 0 2.54951  0.802649  0.0379992     0.0658166    0             0             41.0224  -120          41.1796  -120         4.27949  60            
1 1 1 10 10 15 o 0 3.57771  0.652341  1.89502e-016  0.618981     0             0             61.6694  -90           134.892  -90          71.035   -90           
1 1 1 11 0  0  o 0 11.6017  0.098287  -0.0267631    3.27742e-018 0             0             113.167  180           111.2    180          19.9286  -180          
1 1 1 11 0  1  o 0 42.3143  0.170647  0.528728      0.915784     0             0             1618.53  60            1389.44  60           173.761  60            
1 1 1 11 0  2  o 0 7.36885  0.0672369 -0.0688404    0.119235     0             0             642.598  120           222.154  120          239.072  -60           
1 1 1 11 0  3  o 0 49.7202  0.194331  -0.335766     4.11181e-017 0             0             1919.72  180           1595.46  180          186.375  -180          
1 1 1 11 0  4  o 0 12.1696  0.0978167 0.0504346     0.0873554    0             0             700.674  60            387.642  60           124.077  -120          
1 1 1 11 0  5  o 0 23.696   0.123845  0.160987      -0.278837    0             0             901.653  120           963.787  120          124.923  120           
1 1 1 11 0  6  o 0 5.38516  0.14462   0.0179531     0            0             0             165.587  -6.98098e-015 75.8621  0            78.5544  180           
1 1 1 11 0  7  o 0 15.359   0.116311  -0.0356234    -0.0617015   0             0             598.874  60            806.054  60           85.713   60            
1 1 1 11 0  8  f 1 9.93479  0.134065  0.0579375     -0.100351    0             0             67.638   -60           183.338  -60          103.907  -60           
1 1 1 11 0  9  o 0 7.31437  0.18008   -0.0997228    1.22121e-017 0             0             412.603  -4.16006e-015 367.249  0            112.813  180           
1 1 1 11 0  10 o 0 9.77241  0.170943  0.0098831     0.017118     0             0             542.94   -120          509.554  -120         133.305  60            
1 1 1 11 0  11 o 0 0.83666  0.85143   -0.00344458   0.00596619   0             0             45.8956  -60           0.987532 -60          51.4711  120           
1 1 1 11 0  12 o 0 4.02492  0.484624  -0.0306217    3.74995e-018 0             0             76.8942  4.64611e-015  108.74   0            26.7945  -1.42093e-014 
1 1 1 11 0  13 f 1 4.09878  0.525818  -0.113413     -0.196437    0             0             89.5385  60            92.2566  60           3.25162  60            
1 1 1 11 0  14 o 0 1.34164  0.915232  0.121319      -0.210131    0             0             22.2299  120           7.79685  -60          28.0575  -60           
1 1 1 11 0  15 o 0 0        2.42899   0.127933      0            0             0             77.1421  180           0        0            81.59    -4.17716e-015 
1 1 1 11 0  16 o 0 0        2.32379   0.0409328     0.0708977    0             0             51.0368  -120          0        0            48.7052  60            
1 1 1 11 1  0  o 0 14.5396  0.0820687 0.156371      0            0             0             567.938  -1.25175e-014 480.258  0            50.0409  1.07617e-013  
1 1 1 11 1  1  o 0 47.1905  0.130172  1.01251       -1.78984     -1.49048      -5.10066      2241.77  -44.6663      1326.95  -49.0732     288.592  156.024       
1 1 1 11 1  2  o 0 52.6867  1.36401   -6.3405       -1.66812     -1.2107       -0.202084     1973.03  -158.162      1859.91  -157.496     451.947  -155.421      
1 1 1 11 1  3  o 0 32.5621  0.0984295 -0.727608     -0.222292    0.843794      0.101006      1092.2   -42.4812      1196.45  -39.1628     432.58   -33.2687      
1 1 1 11 1  4  o 0 24.6578  0.18592   2.59283       -1.41553     -5.5823       -0.25751      1153.72  -65.5996      704.795  -83.6449     259.578  171.654       
1 1 1 11 1  5  o 0 5.15424  0.627111  -8.64495      2.43143      -2.70241      1.45397       96.4755  -173.638      230.39   153.924      163.906  137.428       
1 1 1 11 1  6  o 0 4.05059  0.139876  0.46879       -0.226125    -0.163898     0.125626      226.423  -73.1084      68.8101  73.0851      265.13   98.589        
1 1 1 11 1  7  o 0 12.1645  0.0921437 -0.292394     0.706645     0.024147      0.325353      665.249  152.639       360.007  147.37       424.584  -22.8949      
1 1 1 11 1  8  o 0 12.111   0.16001   -0.15686      3.24035      0.981369      -0.222028     407.326  66.6297       615.18   81.9686      199.859  121.141       
1 1 1 11 1  9  o 0 10.4861  0.111522  -0.427559     -1.38695     0.220845      -0.538839     450.679  -126.695      467.001  -119.878     77.6755  7.76655       
1 1 1 11 1  10 o 0 4.54697  0.223615  0.0623742     -0.387007    0.089922      -0.0193442    169.594  -5.14571      94.7028  -52.9173     152.906  -157.848      
1 1 1 11 1  11 f 1 4.88326  0.254985  -0.167971     0.15572      -0.062038     0.0254426     45.9567  -31.5641      24.5654  122.916      74.605   140.28        
1 1 1 11 1  12 o 0 6.02088  0.246428  -0.468114     -0.0683075   -0.0378942    0.0162415     344.625  -101.053      198.305  -109.311     174.975  88.3167       
1 1 1 11 1  13 o 0 4.90704  0.457519  -0.242402     -0.257178    0.00606348    -0.0044662    210.959  -53.6885      194.781  -63.0269     38.9584  -179.468      
1 1 1 11 1  14 o 0 6.21461  0.300042  -0.917628     -0.0292106   0.0276691     -0.00852726   186.544  -148.586      354.007  -153.133     182.597  -157.428      
1 1 1 11 1  15 o 0 2.41541  1.12531   0.426458      0.148357     -0.00490601   0.00473698    45.0874  -116.405      39.472   -41.1558     54.244   18.8714       
1 1 1 11 1  16 o 0 1.41776  0.74168   -0.0733988    0.654365     -0.00614434   0.00352334    46.8637  -64.342       28.381   84.8836      71.6327  103.962       
1 1 1 11 2  0  o 0 17.4642  0.0911389 -0.137225     1.68046e-017 0             0             847.014  -1.76316e-014 556.245  0            60.87    180           
1 1 1 11 2  1  o 0 17.5944  0.705673  3.52924       -1.30406     -0.927956     1.25125       873.454  59.2841       470.17   34.874       277.922  -76.3586      
1 1 1 11 2  2  o 0 47.4209  0.84119   5.4003        1.32238      -2.05874      0.0111976     2054.53  43.9096       1431.09  45.7004      45.3143  124.645       
1 1 1 11 2  3  f 1 28.8396  0.437587  -2.71824      5.55442      2.65086       1.49355       1063.39  -177.253      988.201  173.658      303.551  151.799       
1 1 1 11 2  4  o 0 14.2032  1.26038   24.922        -6.91131     -5.29711      3.73514       968.047  0.160392      159.623  -1.99926     502.812  -179.154      
1 1 1 11 2  5  f 1 10.9046  0.804866  -12.257       -3.80797     -2.95034      -1.66495      560.379  152.522       357.811  -162.282     343.951  -75.0487      
1 1 1 11 2  6  o 0 10.2679  0.417518  -7.91443      0.704868     -1.61456      0.118887      303.206  135.953       481.959  167.146      287.964  -163.953      
1 1 1 11 2  7  o 0 8.4071   0.343153  9.53122       -8.59945     -1.25746      5.49297       368.271  -98.2395      384.4    -83.8411     108.942  20.4298       
1 1 1 11 2  8  o 0 5.25641  0.139975  0.26043       -0.228706    -0.0668222    0.0819148     221.436  -137.491      95.5668  -22.4178     308.372  26.2065       
1 1 1 11 2  9  o 0 3.97684  0.229152  -0.22203      0.201925     -0.00543265   0.0153792     146.341  -39.007       51.6597  137.321      225.295  140.152       
1 1 1 11 2  10 o 0 10.3723  0.119305  0.440621      -0.0858808   -0.0244652    0.283868      380.363  65.1982       549.54   55.0484      136.746  20.1111       
1 1 1 11 2  11 o 0 10.2513  0.15011   1.45801       0.992058     -0.409366     -0.271543     341.23   127.44        599.144  96.9781      329.505  60.2452       
1 1 1 11 2  12 o 0 7.33685  0.209653  -0.209593     0.0345602    -0.00521283   -0.0102366    213.264  121.449       447.261  123.543      218.81   125.732       
1 1 1 11 2  13 o 0 4.31526  0.825594  -1.80525      -0.0164031   -0.072152     0.0495231     90.2227  77.1545       249.672  148.499      236.894  170.225       
1 1 1 11 2  14 o 0 2.61335  0.573556  0.201334      -0.337083    -0.00626601   -0.00491262   78.4529  47.6149       69.6021  16.9702      37.9429  -63.1552      
1 1 1 11 2  15 f 1 2.14379  0.638847  0.652341      -0.17327     0.00929972    -0.0100958    48.1641  36.3354       78.4267  -4.06091     51.4249  -44.9117      
1 1 1 11 2  16 o 0 1.60058  0.728596  0.398225      0.109129     0.00263663    -0.00369478   43.6934  -145.693      10.1651  -64.5089     43.1247  20.8369       
1 1 1 11 3  0  o 0 4.14729  0.105772  -0.0156429    1.91563e-018 0             0             65.3095  -6.38104e-013 11.8848  0            36.6869  180           
1 1 1 11 3  1  o 0 16.9818  0.16412   0.763267      0.185961     -0.033473     -1.45216      927.056  -37.9362      362.943  -38.7705     290.255  143.107       
1 1 1 11 3  2  o 0 5.05873  1.63339   -29.5483      -4.44658     -4.49094      -1.27562      70.7658  -175.691      241.898  -169.755     194.013  -168.283      
1 1 1 11 3  3  o 0 12.3406  0.0624534 -0.632271     0.448961     -3.21014      -1.27392      606.528  -104.349      327.343  -70.087      229.647  22.2846       
1 1 1 11 3  4  f 1 31.7296  0.460218  -7.7433       1.92408      -2.3855       3.10116       1391.58  114.548       1168.06  110.996      72.5924  20.003        
1 1 1 11 3  5  o 0 2.73033  0.520254  5.76552       -4.23022     -0.793884     3.03744       184.096  2.23901       58.0458  -119.095     195.318  -163.056      
1 1 1 11 3  6  o 0 6.57386  0.191177  0.250237      -1.56838     0.289277      0.153203      462.146  -104.084      38.7191  -32.7249     392.007  70.5463       
1 1 1 11 3  7  o 0 13.9574  0.0879881 1.8713        1.76972      -2.49766      -2.07294      665.809  108.474       603.049  95.3478      217.046  -32.4061      
1 1 1 11 3  8  o 0 1.29427  0.409626  -0.179279     -0.165613    -0.00596623   -0.027492     103.73   36.7136       126.912  -142.538     244.966  -142.899      
1 1 1 11 3  9  o 0 6.88033  0.140126  0.308758      -0.0840788   -0.132148     -0.352834     54.1882  66.9174       142.119  32.2005      96.8518  10.2274       
1 1 1 11 3  10 o 0 3.44719  0.285489  0.164438      0.0343377    -0.00441561   -0.000848655  209.242  -45.7254      62.6452  114.929      302.429  130.34        
1 1 1 11 3  11 o 0 3.15273  0.371324  -0.0344324    -0.0806361   -0.000791917  -0.00333005   107.061  -144.725      30.7878  22.2852      151.628  32.6588       
1 1 1 11 3  12 o 0 5.90161  0.456673  -0.727867     0.294665     -0.0322797    0.00678706    212.043  -105.654      306.786  -120.266     103.997  -153.746      
1 1 1 11 3  13 o 0 2.0949   0.568927  -0.0979116    0.135093     -0.00748116   -0.00741282   157.428  55.6193       48.5412  -140.305     209.195  -128.031      
1 1 1 11 3  14 o 0 2.01381  0.625901  -0.273971     0.250039     0.00525992    -0.0097666    78.4727  134.271       37.7404  137.059      36.2711  -48.6302      
1 1 1 11 3  15 o 0 2.35722  0.949229  0.157912      0.0494688    -0.000377035  0.000736241   55.9365  132.216       45.3086  109.824      26.4431  -7.03694      
1 1 1 11 3  16 o 0 1.31918  0.800822  -0.155348     0.505817     -0.00119335   -0.000873361  81.8872  25.5941       26.2953  121.202      89.277   -171.451      
1 1 1 11 4  0  o 0 8.46759  0.0818727 -0.134171     1.64307e-017 0             0             140.557  -180          144.291  -180         41.0679  180           
1 1 1 11 4  1  o 0 5.72625  0.172362  -1.14316      1.00969      -0.576832     1.53779       443.4    67.0969       25.3059  165.903      314.529  -117.463      
1 1 1 11 4  2  o 0 31.0024  0.940191  -12.2255      14.2531      -0.680784     8.25573       1410.73  92.2866       868.937  81.7315      187.696  -29.7141      
1 1 1 11 4  3  o 0 8.82699  0.961531  -14.1348      14.1928      0.42312       6.78063       615.744  178.119       92.1393  144.232      337.655  6.87062       
1 1 1 11 4  4  o 0 13.5586  0.398657  -6.06497      1.05711      -3.95917      0.405055      456.921  -120.204      573.932  -120.615     187.379  -121.462      
1 1 1 11 4  5  o 0 18.4261  0.473217  11.2749       -0.463729    -8.2309       -1.62332      957.156  -70.5257      545.758  -61.4008     289.767  92.0956       
1 1 1 11 4  6  o 0 1.29392  0.384832  -0.691047     -0.407957    -0.0554404    -0.12011      272.398  149.899       268.065  -37.9034     569.46   -33.7649      
1 1 1 11 4  7  o 0 1.5818   0.302233  0.0354962     0.128275     0.018358      -0.236743     99.0673  -134.79       110.784  48.1293      221.687  46.6685       
1 1 1 11 4  8  o 0 9.43165  0.103582  0.715439      -0.227153    -0.894125     -1.49408      506.926  -60.4682      310.637  -52.194      266.274  109.867       
1 1 1 11 4  9  f 1 5.10282  0.311374  0.642892      -0.252858    -0.0189737    0.0259602     289.292  178.515       51.446   -85.9734     339.779  -10.1528      
1 1 1 11 4  10 o 0 5.34239  0.195974  -0.135941     -0.219958    -0.012991     0.378091      138.891  -83.2854      165.018  -115.559     90.3872  173.834       
1 1 1 11 4  11 f 1 7.2409   0.184708  -0.104483     -0.0560503   -0.00490602   -0.000219319  383.157  -111.438      206.329  -114.298     219.793  71.2466       
1 1 1 11 4  12 o 0 6.77052  0.228071  0.109719      -0.111923    -0.00490119   0.00415413    253.249  10.2788       355.185  8.57931      84.8329  3.14574       
1 1 1 11 4  13 o 0 2.39896  0.948881  -0.10056      0.124109     0.00172976    0.000702586   66.0951  142.853       18.8263  130.599      49.8597  -32.5509      
1 1 1 11 4  14 o 0 3.07499  1.36871   1.14932       -0.206462    -0.0334733    -0.0311137    90.1925  127.73        103.452  68.3833      94.77    17.6293       
1 1 1 11 4  15 f 1 1.98348  0.939427  0.41577       -0.367218    0.0086512     -0.00340731   17.8387  84.9751       46.7822  -7.78449     51.4133  -29.6753      
1 1 1 11 4  16 < 0 0        1.80085   0.349364      -0.21547     -0.000189752  -0.00165021   ?        ?             31.8155  -162.843     ?        ?             
1 1 1 11 5  0  o 0 21.6518  0.101135  -0.588138     7.20238e-017 0             0             1219.11  180           690.476  180          198.812  -4.59117e-014 
1 1 1 11 5  1  o 0 25.8481  1.15261   -6.25353      -17.9041     3.15274       -3.35784      874.829  -65.6671      946.934  -78.881      380.35   -100.354      
1 1 1 11 5  2  f 1 27.6243  0.189381  -1.94757      -1.77568     -1.47522      -1.23899      1374.22  -167.887      682.283  -165.977     232.061  6.4863        
1 1 1 11 5  3  o 0 17.6509  0.710438  9.8027        1.53233      -2.82379      -0.444212     819.309  44.053        571.355  39.5756      129.726  -115.837      
1 1 1 11 5  4  o 0 2.52811  0.706186  5.9831        -3.96638     -0.661849     1.4066        260.431  24.4318       173.969  -110.235     363.058  -135.643      
1 1 1 11 5  5  o 0 3.21767  0.227437  5.23325       -2.75479     -1.87735      3.27715       142.449  -107.812      127.443  21.3794      223.836  46.0028       
1 1 1 11 5  6  o 0 7.38478  0.121048  0.246752      -0.812415    0.147181      0.0488629     226.341  -138.91       249.239  -95.5264     184.134  -27.3048      
1 1 1 11 5  7  f 1 8.87106  0.0963287 -1.8871       0.241277     -1.66828      -0.521966     230.604  148.181       465.787  117.954      278.881  90.9547       
1 1 1 11 5  8  o 0 5.83818  0.169123  3.35632       -1.23605     -1.39041      2.0999        263.247  9.44134       241.198  49.9185      189.521  133.737       
1 1 1 11 5  9  o 0 2.04533  0.541458  -1.66805      0.102892     -0.286926     0.0764117     190.567  -43.4501      278.607  155.771      490.685  147.323       
1 1 1 11 5  10 o 0 3.8728   0.269083  0.474546      0.219945     -0.152539     -0.0509795    111.626  81.7761       77.6822  27.6741      103      -60.5661      
1 1 1 11 5  11 o 0 1.64535  0.539573  0.109729      -0.0524912   -0.0223099    -0.0253566    200.332  -32.2016      174.397  147.693      398.63   147.752       
1 1 1 11 5  12 f 1 1.17643  0.714875  0.321529      0.0498088    -0.020226     0.0102283     81.884   23.8246       47.3017  -151.044     132.961  -154.352      
1 1 1 11 5  13 o 0 2.38917  0.560998  0.103769      0.395629     -0.0207088    -0.019599     32.6473  -15.4069      45.0241  73.4389      55.6048  110.541       
1 1 1 11 5  14 o 0 2.31024  0.619648  -0.451125     0.0404694    0.00282917    -0.00988614   43.545   20.4316       21.2341  128.403      51.8563  177.508       
1 1 1 11 5  15 < 1 0        1.64289   -0.0701209    0.0822956    -0.000482242  -0.000555249  ?        ?             114.625  -173.95      ?        ?             
1 1 1 11 5  16 o 0 2.41986  0.590963  -0.251328     1.24742      -0.00783096   -0.0044677    17.0504  -101.701      102.874  112.234      117.849  107.463       
1 1 1 11 6  0  o 0 27.8388  0.12516   -0.320403     3.92368e-017 0             0             696.271  -180          883.997  -180         378.261  180           
1 1 1 11 6  1  o 0 21.3611  0.260503  -0.807626     2.13594      0.379276      1.56283       776.08   35.6673       932.063  48.3494      302.472  78.2394       
1 1 1 11 6  2  f 1 10.376   1.45085   29.1983       -28.5105     0.250028      11.9141       307.689  27.9144       575.263  -31.5776     496.662  -58.3783      
1 1 1 11 6  3  o 0 4.23135  0.296007  1.50536       -3.37976     1.46376       1.99826       389.369  47.9742       254.801  -90.2662     545.403  -113.898      
1 1 1 11 6  4  o 0 7.6546   0.300548  2.48348       0.30308      -0.846997     -0.0592063    334.171  -121.735      361.435  -20.2058     499.516  13.1138       
1 1 1 11 6  5  o 0 12.6834  0.517129  19.2097       -2.80226     -5.93481      1.10484       578.267  -34.6163      401.291  -39.0504     90.7225  165.381       
1 1 1 11 6  6  o 0 10.7074  0.102226  0.11137       -1.2391      0.517363      0.488562      247.546  86.6786       207.792  11.6144      295.111  -50.4522      
1 1 1 11 6  7  o 0 3.50392  0.188453  0.207747      -0.0653936   -0.0467138    0.228456      65.2683  0.99641       11.8204  -156.933     82.587   -175.921      
1 1 1 11 6  8  o 0 12.9003  0.175163  -2.45704      1.54602      -0.000326089  1.0161        278.055  66.567        898.004  83.0266      601.227  91.6038       
1 1 1 11 6  9  o 0 12.9176  0.104335  1.23131       0.486354     -0.58505      -0.0291529    692.872  -30.3243      458.693  -29.1833     328.285  148.081       
1 1 1 11 6  10 f 1 5.07602  0.469664  2.55324       -0.614941    -0.272067     0.0811647     84.1382  -68.9455      329.431  -16.5766     282.312  -1.40661      
1 1 1 11 6  11 o 0 3.0057   0.486867  -0.706739     0.176287     -0.0627036    0.00589457    285.184  104.143       62.4201  -113.861     359.401  -81.9957      
1 1 1 11 6  12 o 0 3.00627  1.33255   -0.233856     0.0318104    -0.00217333   0.00127488    11.8638  4.78551       25.8541  167.786      38.0016  173.313       
1 1 1 11 6  13 o 0 2.64306  0.518224  -0.136786     -0.318185    -0.00806213   0.0139265     138.682  -139.68       68.9986  -130.41      69.1137  31.0649       
1 1 1 11 6  14 o 0 2.19946  1.01896   -0.262032     -0.535663    -0.0154944    -0.00724489   57.9345  -170.391      64.7818  -132.067     40.3524  -74.9606      
1 1 1 11 6  15 o 0 0.269771 0.666725  0.035295      -0.365392    -0.00285329   -0.0053909    36.1098  88.2411       42.8726  -90.8451     82.4436  -91.2837      
1 1 1 11 7  0  f 1 4.87852  0.11022   -0.165255     2.02373e-017 0             0             252.112  -180          109.462  -180         118.771  3.34549e-014  
1 1 1 11 7  1  o 0 26.5898  0.163996  -1.57898      -1.8821      -1.20531      -1.57504      855.687  -77.8106      1258.27  -78.446      501.836  -79.4041      
1 1 1 11 7  2  o 0 17.8338  0.50138   -6.23332      -0.800348    -2.11632      -0.0580894    783.754  -165.544      607.569  -155.226     132.142  -40.9848      
1 1 1 11 7  3  o 0 9.7712   0.389205  -4.4113       0.308999     -1.92284      -0.0461952    673.615  -143.401      86.5072  -147.049     481.291  37.2548       
1 1 1 11 7  4  o 0 9.75601  0.162736  4.85977       -4.2356      -3.23922      7.40949       344.714  -82.9432      455.544  -125.504     311.763  -164.175      
1 1 1 11 7  5  o 0 10.4255  0.283986  -6.69708      5.35697      -1.48899      3.61888       492.284  93.4578       406.823  91.348       125.107  -79.6667      
1 1 1 11 7  6  o 0 6.80595  0.42464   1.13853       -13.393      3.53495       0.313477      382.763  -52.4951      210.878  -97.1302     302.365  156.846       
1 1 1 11 7  7  f 1 6.19375  0.289813  -4.1228       1.75391      -0.808179     1.13569       480.742  121.161       135.429  -131.491     568.373  -71.9856      
1 1 1 11 7  8  o 0 3.51348  0.220224  -1.06327      0.320326     -0.257766     0.0857155     117.309  -50.7994      189.927  160.528      310.245  147.76        
1 1 1 11 7  9  o 0 8.1435   0.430181  6.21813       -1.76103     -1.29008      0.552557      229.62   -52.3813      488.402  -30.951      266.029  -10.254       
1 1 1 11 7  10 o 0 5.3039   0.216257  0.0469359     -1.24616     0.249201      -0.0791286    142.825  19.8615       249.464  -59.8168     270.611  -95.0532      
1 1 1 11 7  11 o 0 4.56578  0.297481  0.0960923     0.449941     0.0520026     0.0289048     187.129  10.4605       192.632  23.5671      45.32    115.912       
1 1 1 11 7  12 o 0 3.1119   0.446487  -0.100321     0.317859     -0.00378719   0.0146247     70.1683  54.0901       80.2488  79.7713      34.7881  145.543       
1 1 1 11 7  13 o 0 1.06602  0.75165   0.0848262     0.0309083    3.67956e-005  0.000817957   77.618   90.4185       45.0627  -84.3891     120.511  -87.6422      
1 1 1 11 7  14 o 0 2.48425  1.14866   -0.689234     0.286206     0.0142266     0.0167924     57.4223  -95.3132      76.7117  -163.547     75.6051  155.128       
1 1 1 11 7  15 o 0 2.71881  1.247     -0.0867094    0.0285867    0.000230647   -3.47076e-005 46.7342  75.4231       143.632  79.3386      92.8539  81.4864       
1 1 1 11 8  0  o 0 8.04363  0.092179  -0.000964722  1.18141e-019 0             0             639.344  -7.94532e-015 308.954  0            274.878  180           
1 1 1 11 8  1  o 0 18.3127  0.321965  1.78691       2.15006      -0.144068     -0.906589     440.66   53.3815       912.149  59.4536      527.356  63.924        
1 1 1 11 8  2  o 0 10.0186  0.705295  2.09445       -14.2479     5.33874       1.09497       493.685  -66.812       272.19   -35.5719     237.119  76.6519       
1 1 1 11 8  3  o 0 13.3813  0.187355  5.065         -2.57657     -4.09486      2.93615       522.871  79.9802       567.774  44.7642      328.299  -5.80986      
1 1 1 11 8  4  f 1 12.5555  0.750624  35.0951       16.0535      -6.84236      -6.90342      491.561  66.3414       668.887  32.7897      371.524  -17.9593      
1 1 1 11 8  5  o 0 11.9064  0.413273  -9.3245       -8.18465     -0.740414     -2.90981      585.923  -122.458      423.115  -126.148     207.027  65.1019       
1 1 1 11 8  6  o 0 9.77003  0.157363  1.21792       2.04685      0.139843      -0.627646     323.789  122.071       481.663  89.1122      268.29   44.4602       
1 1 1 11 8  7  o 0 6.10006  0.462052  5.99178       0.713906     -0.954318     -0.145986     181.85   18.0923       319.717  8.62915      132.962  -5.19523      
1 1 1 11 8  8  o 0 3.80903  0.225273  -1.01157      1.99771      0.728307      0.585168      123.785  13.4136       210.24   122.256      285.784  149.288       
1 1 1 11 8  9  f 1 7.99438  0.231582  -1.95975      0.570387     -0.489328     0.127897      206.368  98.5608       468.852  126.645      290.772  147.945       
1 1 1 11 8  10 o 0 9.26747  0.14782   -0.226106     -0.0261228   -0.00682546   0.0186311     357.717  137.066       413.612  140.52       32.9145  -173.731      
1 1 1 11 8  11 o 0 4.82482  0.280986  0.435825      0.535793     -0.0417701    -0.0746921    247.324  -12.6294      167.544  1.18527      105.11   144.999       
1 1 1 11 8  12 o 0 3.81867  0.359688  0.135658      0.532982     -0.0788914    -0.0171182    214.261  -113.396      73.6113  -114.18      146.679  66.9979       
1 1 1 11 8  13 f 1 2.80749  0.981851  -0.0510848    -0.355615    0.00390333    0.00590865    48.9113  -1.8567       77.0385  -34.0444     45.1942  -67.0919      
1 1 1 11 8  14 o 0 3.14262  0.509284  -0.145211     0.176973     0.000106409   -0.0017766    62.6833  117.439       151.958  119.86       79.6949  122.059       
1 1 1 11 8  15 o 0 2.97129  0.834726  0.0322961     -0.276581    -0.000453349  0.0010406     43.3446  56.5465       151.819  48.2361      105.715  44.5665       
1 1 1 11 9  0  o 0 13.5167  0.0918522 -0.491013     6.01298e-017 0             0             604.272  -4.23653e-017 528.634  0            17.4253  180           
1 1 1 11 9  1  f 1 6.36188  0.562679  -0.584419     -5.25434     1.19654       -0.181193     563.72   -144.079      165.7    -27.2904     580.308  21.1537       
1 1 1 11 9  2  o 0 9.27399  0.0680195 0.815312      -0.29292     -2.04124      -0.777337     678.123  -91.1463      142.858  -32.4415     519.166  75.2543       
1 1 1 11 9  3  o 0 8.68334  0.0685614 0.220226      0.409866     -2.4787       1.68656       104.671  -144.541      46.1739  5.16688      154.866  26.8094       
1 1 1 11 9  4  o 0 10.5118  0.595258  1.42508       -18.7939     3.74617       0.857046      3.53132  118.151       908.086  -89.7522     911.423  -89.6412      
1 1 1 11 9  5  o 0 11.2805  0.0792071 -0.862694     0.833017     -0.96355      0.814283      378.161  -148.828      496.665  -138.479     124.717  -103.153      
1 1 1 11 9  6  o 0 11.7852  0.416992  -2.94743      -12.1023     3.68997       -2.78392      440.926  -89.907       556.783  -64.073      245.072  -8.00885      
1 1 1 11 9  7  o 0 4.3958   0.172498  -0.223604     0.684131     1.22919       -0.241349     155.992  -68.9872      122.804  90.8941      289.13   102.612       
1 1 1 11 9  8  o 0 7.44987  0.130111  0.232222      0.187319     0.250752      0.601698      280.556  165.332       286.143  -175.355     101.283  -83.7927      
1 1 1 11 9  9  o 0 4.21892  0.294856  1.99169       0.382819     -0.445736     -0.313995     444.002  115.812       251.606  -20.8658     686.804  -49.631       
1 1 1 11 9  10 o 0 5.88419  0.215741  0.34155       -0.0420729   -0.0372696    -0.0306849    253.848  92.5379       151.592  71.4517      142.122  -64.8962      
1 1 1 11 9  11 o 0 5.09547  0.267371  0.842866      -0.0913182   -0.05807      -0.130591     226.034  -56.8646      214.885  -43.2637     56.069   58.8141       
1 1 1 11 9  12 o 0 3.26807  0.434033  0.400976      -0.041755    -0.00644908   -0.0233419    131.302  52.1511       86.3612  27.576       64.8603  -94.2243      
1 1 1 11 9  13 o 0 4.52426  0.562643  0.760133      0.175175     -0.00735435   0.0145142     130.186  152.297       231.983  140.466      114.51   127.756       
1 1 1 11 9  14 o 0 3.3176   1.47011   0.194948      -0.718059    0.00212523    0.0130374     86.4241  -98.9881      192.971  -90.0566     97.1632  -81.0289      
1 1 1 11 9  15 o 0 1.02486  0.800201  0.14301       -0.305806    -6.01741e-005 -0.000728764  46.4978  72.7283       29.7207  -83.6229     77.6421  -98.439       
1 1 1 11 10 0  o 0 7.24569  0.102062  -0.0734844    8.99895e-018 0             0             1.72978  -1.99167e-012 19.3262  -180         20.8654  180           
1 1 1 11 10 1  o 0 14.7285  0.327195  -0.768314     -5.04437     1.19794       -0.12773      193.982  148.88        926.92   -134.835     901.97   -124.403      
1 1 1 11 10 2  o 0 7.38522  0.760898  1.847         49.2394      17.3445       -0.603159     287.809  45.049        345.699  54.293       61.556   109.491       
1 1 1 11 10 3  f 1 11.7513  0.454822  -15.2623      -13.6223     -1.45843      -6.77218      276.996  135.981       811.58   -154.926     758.155  -133.794      
1 1 1 11 10 4  f 1 9.16591  0.481355  3.28419       16.3306      3.52555       -1.83624      198.456  140.77        646.309  83.8734      560.785  65.8775       
1 1 1 11 10 5  o 0 10.1016  0.316988  -7.23697      -2.38335     -2.81027      -1.41327      515.172  -121.873      329.788  -116.249     214.726  49.4699       
1 1 1 11 10 6  o 0 10.8233  0.300894  -5.55123      3.69526      -0.423356     2.2627        423.231  -170.608      508.51   -175.025     79.2258  159.77        
1 1 1 11 10 7  o 0 3.073    0.254245  -1.37658      0.482017     -0.360515     0.190255      164.444  157.008       15.7336  152.526      161.321  -22.5556      
1 1 1 11 10 8  f 1 12.3881  0.128482  0.198974      1.22941      0.218235      -0.278135     611.424  144.557       483.463  135.536      183.696  -11.0715      
1 1 1 11 10 9  o 0 6.82045  0.168505  0.0333057     0.36429      -0.0995854    0.42678       258.462  154.69        199.314  144.883      85.3968  -1.88341      
1 1 1 11 10 10 o 0 7.55833  0.177379  -0.326528     0.35831      0.11766       0.0193732     379.614  26.9851       302.687  30.4701      88.9508  -164.953      
1 1 1 11 10 11 o 0 3.7958   0.370908  -0.37927      0.313046     0.0420581     0.0150904     129.732  178.893       143.606  166.317      32.6107  105.398       
1 1 1 11 10 12 f 1 1.39832  0.730135  -0.0552014    0.0650246    -0.000336929  0.000545731   72.0116  118.782       39.1877  -62.765      109.197  -61.7733      
1 1 1 11 10 13 < 0 0        1.57313   -0.177319     0.220815     -0.000702643  -0.0107029    ?        ?             80.7876  141.972      ?        ?             
1 1 1 11 10 14 < 0 0        1.64289   -0.0460587    0.216634     -0.00247109   -0.0015127    ?        ?             72.5873  72.7087      ?        ?             
1 1 1 11 10 15 o 0 1.73413  0.766594  -0.164204     0.154539     0.000327102   -0.000207708  32.5834  -162.636      42.8461  175.521      16.948   127.208       
1 1 1 11 11 0  f 1 3.755    0.225701  -0.147236     1.80307e-017 0             0             112.917  1.12425e-013  12.3763  180          137.562  -180          
1 1 1 11 11 1  o 0 1.67332  0.29982   -0.0609717    -0.035202    0             0             256.364  -150          18.6018  -150         263.733  30            
1 1 1 11 11 2  o 0 0.948683 0.434881  0.0232629     0.0402924    0             0             134.867  -120          0.116515 -120         145.258  60            
1 1 1 11 11 3  o 0 6.21289  0.118437  9.4637e-017   0.309118     0             0             245.1    90            205.05   90           54.3571  -90           
1 1 1 11 11 4  o 0 6.61816  0.133278  -0.0698609    0.121003     0             0             171.059  -60           86.5724  -60          91.9318  120           
1 1 1 11 11 5  o 0 12.4097  0.119713  -0.251515     0.145212     0             0             384.493  150           544.483  150          147.377  150           
1 1 1 11 11 6  o 0 5.25357  0.201503  0.192744      0            0             0             15.3951  -1.63148e-014 61.737   0            45.3868  5.87726e-015  
1 1 1 11 11 7  o 0 3.57771  0.319543  -0.0576461    -0.033282    0             0             297.639  -150          119.745  -150         194.276  30            
1 1 1 11 11 8  o 0 15.5274  0.14041   0.283959      0.491832     0             0             714.126  -120          716.649  -120         31.4369  60            
1 1 1 11 11 9  o 0 6.0663   0.283189  -7.0609e-018  -0.038439    0             0             157.917  -90           183.48   -90          19.5519  -90           
1 1 1 11 11 10 o 0 5.44059  0.328752  -0.0125578    0.0217507    0             0             46.37    -60           116.522  -60          70.1637  -60           
1 1 1 11 11 11 o 0 2.16795  0.689034  0.0784875     -0.0453148   0             0             65.5693  -30           36.4398  -30          28.0254  150           
1 1 1 11 11 12 o 0 1.73205  0.82722   0.0843435     0            0             0             57.6884  180           21.5422  180          31.8445  -8.15806e-015 
1 1 1 11 11 13 f 1 2.98329  0.669794  0.124723      0.0720089    0             0             52.7976  -150          52.6213  -150         5.83433  -150          
1 1 1 11 11 14 o 0 0        2.30217   -0.0410104    -0.0710321   0             0             38.7069  -120          0        0            41.1167  60            
1 1 1 12 0  0  o 0 5.59464  0.113842  -0.0577052    7.06662e-018 0             0             273.846  180           65.3923  180          151.204  -1.47976e-014 
1 1 1 12 0  1  o 0 16.2049  0.0889889 -0.0236713    -0.041       0             0             35.0849  -120          136.632  -120         110.566  -120          
1 1 1 12 0  2  o 0 11.1803  0.0755145 -0.0521187    0.0902723    0             0             438.702  120           350.017  120          23.838   120           
1 1 1 12 0  3  o 0 9.44458  0.0787513 0.518856      0            0             0             320.153  -180          169.991  -180         62.7077  4.0467e-014   
1 1 1 12 0  4  o 0 1.76068  0.246858  0.0063255     0.0109561    0             0             149.1    60            6.26809  60           101.204  -120          
1 1 1 12 0  5  o 0 7.0214   0.112132  -0.0307663    0.0532888    0             0             524.283  120           253.039  120          226.879  -60           
1 1 1 12 0  6  o 0 1.58114  0.374508  0.0257294     0            0             0             201.702  0             9.31125  0            175.369  180           
1 1 1 12 0  7  o 0 9.24662  0.12273   -0.0931681    -0.161372    0             0             51.8728  -120          169.069  -120         107.861  -120          
1 1 1 12 0  8  f 1 0        1.41421   0.0118397     -0.020507    0             0             154.19   -60           0        0            177.675  120           
1 1 1 12 0  9  o 0 9.71082  0.157055  0.05331       0            0             0             557.482  -2.75663e-015 510.515  0            154.916  180           
1 1 1 12 0  10 o 0 10.9362  0.166606  -0.103871     -0.17991     0             0             301.698  60            552.251  60           200.705  60            
1 1 1 12 0  11 o 0 4.9295   0.349603  -0.00522016   0.00904159   0             0             142.78   -60           121.733  -60          39.2375  120           
1 1 1 12 0  12 o 0 6.51153  0.314611  0.0646934     0            0             0             152.002  180           307.936  180          147.743  -180          
1 1 1 12 0  13 o 0 6.47302  0.337283  0.0131581     0.0227905    0             0             223.781  -120          300.408  -120         76.394   -120          
1 1 1 12 0  14 o 0 1.73205  0.875239  -0.00193969   0.00335965   0             0             45.0748  120           21.6247  120          19.2344  -60           
1 1 1 12 0  15 o 0 0        2.40832   -0.179237     2.19495e-017 0             0             48.3405  -180          0        0            50.9993  2.25859e-015  
1 1 1 12 0  16 o 0 0        2.09762   -0.192603     -0.333599    0             0             33.6517  60            0        0            32.1261  -120          
1 1 1 12 1  0  o 0 26.8514  0.124185  0.403797      0            0             0             502.746  -180          915.637  -180         523.433  180           
1 1 1 12 1  1  o 0 24.8314  0.593622  -2.28346      -4.14767     3.43573       -2.31008      1098.55  174.086       770.277  178.408      71.6007  -60.074       
1 1 1 12 1  2  o 0 25.2043  1.53677   -17.2722      -25.3537     1.96161       -7.14379      1166.21  -127.893      710.041  -119.729     161.278  13.4116       
1 1 1 12 1  3  o 0 7.96561  0.726537  4.98068       -5.11748     -0.081085     1.73012       266.941  -81.5791      257.061  -48.8024     142.312  -3.65333      
1 1 1 12 1  4  o 0 10.0324  0.180408  -0.613413     0.252411     -0.0750219    0.164204      456.472  -165.809      268.127  -171.337     139.153  24.8872       
1 1 1 12 1  5  f 1 5.54343  0.583928  0.219867      -8.12683     2.75114       0.326182      260.718  -76.736       123.883  -110.255     142.086  132.045       
1 1 1 12 1  6  o 0 9.63632  0.433879  -0.365878     16.2485      5.27757       -0.25752      641.383  136.199       170.11   101.581      442.673  -31.1914      
1 1 1 12 1  7  o 0 16.9298  0.218621  2.32574       6.31992      4.14538       -1.19259      803.167  -16.0553      851.104  22.6263      593.557  100.284       
1 1 1 12 1  8  o 0 6.25598  0.312072  0.717034      1.24431      0.0444724     -0.113877     256.239  26.1385       210.875  67.6758      195.918  160.599       
1 1 1 12 1  9  o 0 4.24272  0.197241  0.045806      -0.412457    0.0705873     -0.0132314    225.079  -166.871      63.1837  -80.8336     268.94   -0.425666     
1 1 1 12 1  10 f 1 6.46302  0.202249  0.451129      -0.228213    -0.0111238    0.0369101     192.964  -78.1643      271.427  -61.701      86.7187  -15.6608      
1 1 1 12 1  11 o 0 8.23548  0.161385  -0.169377     0.137908     0.0494887     0.0225871     383.587  48.7147       299.309  52.7111      135.54   -140.138      
1 1 1 12 1  12 o 0 4.93409  0.321636  0.556334      -0.28993     -0.0479804    0.00705706    210.659  104.508       201.519  89.3063      60.1491  -14.0299      
1 1 1 12 1  13 o 0 3.65138  0.595486  0.22156       0.0999428    0.000881859   -0.00395596   188.688  171.71        78.7415  161.744      114.125  -1.43232      
1 1 1 12 1  14 o 0 1.51213  0.734496  0.00677723    0.252526     -0.00376221   -0.00350509   22.5056  -65.7064      20.4654  93.1294      40.4792  103.776       
1 1 1 12 1  15 o 0 1.65556  0.823622  0.0817925     0.0631702    -0.00045752   0.000304264   10.882   160.799       9.03819  36.4133      18.3948  4.72057       
1 1 1 12 1  16 < 0 0        1.52661   0.210835      0.0261951    0.000925797   0.00102538    ?        ?             70.2055  -103.769     ?        ?             
1 1 1 12 2  0  o 0 22.4299  0.104285  -0.425503     5.21073e-017 0             0             759.757  180           736.535  180          165.861  -180          
1 1 1 12 2  1  o 0 10.4229  0.358533  -2.72817      0.889833     -0.786495     0.824944      462.179  157.312       226.499  167.632      114.328  -43.4773      
1 1 1 12 2  2  o 0 23.5537  1.63942   -17.5565      -26.156      3.33023       -6.31753      1125.33  -95.4015      637.961  -114.777     274.39   135.074       
1 1 1 12 2  3  o 0 17.8199  0.478304  1.01948       -12.5245     10.6592       -0.794485     908.971  -11.5396      438.278  -25.2178     218.003  -163.154      
1 1 1 12 2  4  o 0 18.3114  0.127855  1.47817       -0.955773    0.521001      1.61157       766.074  74.0164       744.176  37.3287      449.159  -24.1444      
1 1 1 12 2  5  o 0 9.06387  0.128582  0.581552      0.683847     -0.124712     -0.485309     619.972  122.804       112.7    80.9417      459.774  -47.781       
1 1 1 12 2  6  o 0 8.26984  0.41796   -5.81596      -11.9814     2.08488       -3.17835      541.151  -56.5287      254.351  -130.588     471.293  154.732       
1 1 1 12 2  7  o 0 12.1457  0.218293  1.15172       2.50971      0.213171      -0.419989     430.307  57.527        600.877  64.3799      129.815  91.052        
1 1 1 12 2  8  o 0 12.804   0.12051   -0.588018     0.543812     -0.245698     0.232644      499.641  175.842       562.04   170.45       53.3772  77.4917       
1 1 1 12 2  9  o 0 3.86554  0.226183  -0.743755     -2.43945     1.11984       -0.386844     124.546  131.659       269.789  -117.958     348.352  -94.8912      
1 1 1 12 2  10 o 0 6.0121   0.178135  0.100669      0.195762     -0.202307     0.189956      203.746  -117.694      189.586  -114.856     46.3876  50.6303       
1 1 1 12 2  11 f 1 3.18972  0.366528  0.121779      0.00294456   0.0273935     -0.026365     76.3429  16.8865       10.2937  -124.834     92.9438  -159.179      
1 1 1 12 2  12 o 0 3.07047  0.491713  0.0291728     0.198731     0.00545575    0.00148203    92.9866  -59.1261      42.9934  -35.2048     62.0263  104.551       
1 1 1 12 2  13 < 0 0        1.51622   0.0781069     0.153974     0.0103181     0.0110422     ?        ?             119.793  23.3795      ?        ?             
1 1 1 12 2  14 o 0 5.8985   0.295759  0.319245      1.44065      -0.0628686    -0.00879095   209.818  -8.07821      310.779  6.49576      131.18   28.5155       
1 1 1 12 2  15 o 0 1.70625  0.667253  -0.866962     0.205515     0.0266015     -0.00393975   82.8973  -150.899      46.8269  148.451      79.0764  60.1766       
1 1 1 12 2  16 o 0 1.59931  0.74615   -0.646267     -0.519585    -0.00212728   0.00510052    27.4052  -85.7863      63.7706  -131.022     48.5603  -154.599      
1 1 1 12 3  0  o 0 25.4205  0.115522  1.53288       0            0             0             1109.63  9.97798e-015  814.536  0            1.23734  -6.55848e-012 
1 1 1 12 3  1  o 0 19.6121  1.52902   -16.4107      -34.8898     8.50709       -8.64926      301.128  -164.622      964.73   -149.477     763.532  -145.346      
1 1 1 12 3  2  o 0 12.0961  0.506792  -4.04829      -2.32535     -0.872676     -1.08292      454.746  159.347       356.787  -177.614     141.086  -118.881      
1 1 1 12 3  3  o 0 18.6704  0.0724004 -0.0197504    0.718601     -0.185222     -1.33354      866.49   103.277       618.472  117.705      205.994  -125.149      
1 1 1 12 3  4  o 0 17.9896  0.197523  -0.39408      1.06726      0.354354      0.0591812     736.996  -162.209      658.415  -175.97      157.318  113.216       
1 1 1 12 3  5  o 0 13.6311  0.0750222 0.117922      -0.328236    -0.205413     0.254182      695.674  -136.869      364.963  -124.405     249.443  24.7217       
1 1 1 12 3  6  o 0 3.63362  0.234279  -1.12007      4.56536      1.94745       0.778945      77.2269  -133.81       253.922  103.023      309.298  89.5995       
1 1 1 12 3  7  o 0 16.2152  0.779787  -7.02515      -42.7735     8.97686       -4.06223      534.705  -124.54       991.247  -91.4011     589.463  -57.7192      
1 1 1 12 3  8  o 0 2.84329  0.242288  0.00789835    -1.00999     0.392481      0.106472      177.086  -93.6282      62.3776  88.0659      260.915  86.7768       
1 1 1 12 3  9  o 0 5.40205  0.261421  0.997777      0.590012     -0.0759968    -0.0863699    55.5959  -69.0152      258.58   19.1999      264.516  33.2749       
1 1 1 12 3  10 o 0 4.49212  0.256851  -0.341873     0.141404     -0.0107423    0.017308      272.886  87.9453       51.3656  170.084      309.553  -101.516      
1 1 1 12 3  11 o 0 3.39192  0.360335  0.167359      -0.119507    -0.00914611   0.00773334    68.5279  169.578       49.1038  -27.8487     124.637  -17.1983      
1 1 1 12 3  12 o 0 4.86127  0.307008  -0.808485     -0.512981    -0.308191     0.113247      247.241  -101.56       184.129  -115.396     94.9927  106.056       
1 1 1 12 3  13 o 0 1.48755  0.723311  0.179018      0.0151971    0.00391971    -0.00790602   121.429  15.8848       64.9566  -161.94      189.271  -163.369      
1 1 1 12 3  14 o 0 2.64234  0.552301  0.134016      -0.0818628   0.00111368    -0.000497179  111.906  120.234       64.7392  114.838      41.1604  -51.2582      
1 1 1 12 3  15 o 0 2.83886  1.32068   -0.341445     -0.00419073  -0.000965626  0.0026205     84.2704  -27.2341      157.36   -31.914      66.6628  -38.3383      
1 1 1 12 3  16 < 0 0        1.86536   0.162158      -0.0334955   0.000174747   -3.28079e-005 ?        ?             65.6898  24.8198      ?        ?             
1 1 1 12 4  0  o 0 2.46982  0.170078  -0.0103484    1.26728e-018 0             0             82.9894  -180          6.91955  -180         52.957   2.5412e-014   
1 1 1 12 4  1  o 0 15.6145  1.71277   -30.4978      2.17547      -5.14974      1.04096       529.582  170.357       552.669  179.25       199.478  -164.284      
1 1 1 12 4  2  f 1 15.4796  1.49255   -10.2691      -35.268      8.9334        -4.87003      856.807  -45.0163      558.069  -101.458     620.528  -176.474      
1 1 1 12 4  3  o 0 15.1452  0.374187  1.17404       7.77232      7.78412       -0.0945492    563.975  15.8321       623.067  13.4976      150.854  6.14672       
1 1 1 12 4  4  o 0 25.3554  0.152437  1.22451       0.61762      0.888005      -1.01976      1081.22  -28.0875      919.537  -22          97.8668  57.0475       
1 1 1 12 4  5  o 0 16.5695  0.503154  -2.19813      19.509       5.76479       0.542114      755.115  106.86        541.06   120.944      172.25   -122.992      
1 1 1 12 4  6  o 0 8.05549  0.251075  -1.87029      -14.1722     10.4315       -4.51057      570.815  0.309594      363.428  -82.253      681.946  -147.79       
1 1 1 12 4  7  o 0 11.3362  0.248558  0.129192      -6.71086     2.70494       0.774834      480.59   -123.596      499.836  -134.234     100.394  123.203       
1 1 1 12 4  8  o 0 10.3807  0.100988  0.402694      0.322421     0.500522      -0.102548     477.649  173.602       424.881  168.758      108.08   12.9897       
1 1 1 12 4  9  o 0 3.49722  0.263993  -0.551548     -0.565888    0.0282951     -0.0955069    64.6445  123.556       128.74   -129.399     166.303  -104.186      
1 1 1 12 4  10 o 0 2.23445  0.396078  0.0602776     0.0631378    -0.0355576    -0.00053      44.3671  74.8528       24.525   -94.9995     74.6664  -101.83       
1 1 1 12 4  11 o 0 3.81707  0.314381  0.0298284     -0.133799    0.00931572    -0.00556153   62.4636  121.317       82.3007  127.155      17.9855  149.057       
1 1 1 12 4  12 o 0 3.08647  1.02154   -0.895428     0.247763     -0.0379652    0.00464234    153.246  -168.646      83.8202  166.581      93.4429  33.4321       
1 1 1 12 4  13 f 1 4.57421  0.342223  0.218367      0.430194     -0.0050646    0.0366336     197.95   136.475       176.991  121.31       54.6924  14.3143       
1 1 1 12 4  14 o 0 3.43879  0.462899  0.178023      0.865078     -0.00952102   0.0255105     70.9194  -87.5619      72.6702  -64.4268     28.5527  2.77296       
1 1 1 12 4  15 o 0 2.68371  0.559205  -0.469801     0.386456     0.00289477    -0.00585211   35.6552  84.5841       153.566  105.519      117.942  112.309       
1 1 1 12 4  16 o 0 0.791504 0.862194  -0.36629      -0.491834    0.00298614    0.00254699    38.1741  -160.649      13.4818  -46.4455     46.4255  3.99186       
1 1 1 12 5  0  o 0 8.22192  0.0842701 0.437366      0            0             0             160.931  1.06465e-013  240.646  0            94.5977  -1.64371e-013 
1 1 1 12 5  1  o 0 39.505   0.971958  -12.1449      -12.3574     1.99651       -6.04731      1546.92  164.583       1652.98  174.5        398.964  -149.894      
1 1 1 12 5  2  o 0 14.8735  0.934263  1.98074       -3.68014     0.152151      0.288881      518.066  -32.6239      611.146  -50.2883     234.272  -84.9581      
1 1 1 12 5  3  o 0 11.7507  0.29595   2.06438       -0.132774    -0.590614     0.226731      479.68   -46.0893      369.922  -33.9586     86.9283  70.4973       
1 1 1 12 5  4  o 0 7.64838  0.171724  -1.01164      -0.049712    -0.47902      -0.207727     103.485  172.842       207.25   171.424      121.228  170.417       
1 1 1 12 5  5  o 0 16.3421  0.0816324 -0.594127     -0.172338    0.0923337     0.785209      614.297  -47.8919      728.603  -59.3902     154.161  -118.304      
1 1 1 12 5  6  o 0 8.10882  0.140573  -6.59344      -4.95569     0.452723      -15.2675      192.331  134.284       546.578  146.982      346.022  154.602       
1 1 1 12 5  7  o 0 7.76673  0.571117  -2.56835      -12.427      2.44539       -1.31321      524.797  -68.942       207.355  -132.191     514.325  132.159       
1 1 1 12 5  8  o 0 6.18477  0.13632   -0.384593     0.892841     0.76098       0.152272      264.668  73.633        158.22   79.2444      143.993  -112.535      
1 1 1 12 5  9  o 0 3.26071  0.589614  1.30658       -2.72841     0.256024      0.264814      219.71   -43.8009      62.0604  -119.216     241.213  150.617       
1 1 1 12 5  10 o 0 5.71321  0.198772  -0.0807945    -0.0256426   -0.0079603    0.00131398    180.313  -7.5666       141.144  -10.8903     62.6423  179.94        
1 1 1 12 5  11 o 0 2.66198  0.432176  -0.232795     0.14768      0.103582      0.0459104     61.0507  102.675       43.2678  138.692      40.1295  -116.671      
1 1 1 12 5  12 o 0 5.03635  0.288505  -0.335914     -0.115233    -0.00882345   0.0243958     116.435  155.693       265.536  163.724      144.701  170.549       
1 1 1 12 5  13 o 0 2.6757   0.533858  -0.0625301    -0.493837    -0.000929519  0.0191502     83.1957  -99.5542      102.199  -99.3604     20.2251  -98.5746      
1 1 1 12 5  14 o 0 3.12235  0.505588  0.216093      -0.0939501   -0.000976979  -0.00194192   82.2625  145.213       104.036  142.375      26.5848  134.041       
1 1 1 12 5  15 o 0 2.53748  0.536249  0.213535      -0.251181    0.00039757    -0.00203093   50.7364  -97.9972      139.867  -88.3013     85.3773  -81.9811      
1 1 1 12 6  0  o 0 14.5224  0.0923705 -0.128221     1.57021e-017 0             0             541.581  -2.6152e-015  567.841  0            80.4581  1.58419e-014  
1 1 1 12 6  1  o 0 10.9828  0.691817  3.30754       0.222958     -0.358332     -0.0882689    473.593  74.4232       428.795  23.1649      363.586  -38.6709      
1 1 1 12 6  2  o 0 7.38461  0.592977  -0.133559     10.6393      4.47578       -0.245035     364.42   106.141       152.71   140.414      201.004  -99.1898      
1 1 1 12 6  3  o 0 11.1341  0.542781  3.05205       8.02905      3.00096       -2.00013      526.691  84.3391       246.018  67.7862      214.073  -76.5491      
1 1 1 12 6  4  o 0 11.1091  0.282266  14.1372       14.8591      5.54159       -24.3289      354.251  -58.3472      566.981  -12.4561     419.601  17.6334       
1 1 1 12 6  5  o 0 10.1317  0.616193  14.0867       25.2939      3.69496       -6.99397      612.283  109.332       362.017  54.5368      535.534  -37.1391      
1 1 1 12 6  6  o 0 5.66753  0.29826   7.55707       3.74088      -1.73143      -2.85         271.494  -23.9789      182.084  17.9791      198.239  118.135       
1 1 1 12 6  7  o 0 4.45244  0.274465  0.921453      3.70348      1.11273       -0.794961     444.281  81.9642       153.582  -104.868     632.81   -99.6903      
1 1 1 12 6  8  f 1 9.99866  0.106434  -0.511911     -1.28538     -0.208082     -1.45492      368.466  -44.8631      544.715  -59.2833     181.157  -93.3499      
1 1 1 12 6  9  o 0 5.94363  0.182432  -0.151547     -0.315843    0.00769781    -0.0194663    287.401  140.565       145.827  164.429      198.003  -56.7696      
1 1 1 12 6  10 o 0 3.33313  0.306577  0.112472      0.233791     0.010446      -0.00792003   72.3938  -152.327      58.1894  53.4976      135.422  38.4613       
1 1 1 12 6  11 o 0 2.38303  0.451517  0.0632286     0.116737     0.0159815     0.00211432    80.2559  -60.9379      14.313   53.1165      92.7647  110.962       
1 1 1 12 6  12 o 0 4.95136  0.296053  0.186067      0.198017     -0.0158275    0.00194567    159.63   100.919       239.591  94.4777      75.5342  80.0734       
1 1 1 12 6  13 o 0 1.55687  0.762138  0.142365      0.205353     0.00667572    0.00549904    67.3619  100.442       12.2926  -3.88434     70.1024  -69.776       
1 1 1 12 6  14 < 0 0        1.64289   0.112335      0.109577     0.000539779   0.0020658     ?        ?             107.645  -53.6465     ?        ?             
1 1 1 12 6  15 o 0 2.52428  0.913646  0.308954      0.713252     -0.00787131   -0.00515126   40.1185  -56.2084      106.731  -10.729      82.051   11.8332       
1 1 1 12 7  0  f 1 19.152   0.0986963 0.641986      0            0             0             747.555  180           747.016  180          90.1185  -180          
1 1 1 12 7  1  o 0 16.957   0.771238  -1.16962      -8.26497     1.79998       -0.239791     695.014  -66.8819      635.554  -83.1243     178.045  -153.676      
1 1 1 12 7  2  o 0 16.9875  0.494197  1.96792       3.47157      0.259226      -0.762668     531.257  21.1545       735.217  34.797       318.461  54.1469       
1 1 1 12 7  3  o 0 10.8802  0.447727  10.9042       -7.16933     -1.86122      3.35591       616.075  -25.0371      221.969  -48.2122     318.741  170.869       
1 1 1 12 7  4  o 0 17.9814  0.207409  -6.4081       4.23702      -5.38123      4.94329       558.807  94.0128       1062.42  81.1157      501.167  65.7732       
1 1 1 12 7  5  f 1 9.22637  0.501765  -8.07593      -13.1364     1.21555       -2.94093      439.719  -99.1503      363.873  -124.286     202.293  130.67        
1 1 1 12 7  6  o 0 14.4716  0.610842  23.5998       38.4406      5.75073       -15.3623      546.47   110.018       755.545  98.9651      215.513  67.7885       
1 1 1 12 7  7  o 0 6.85089  0.155172  -1.20299      -3.84489     2.13189       -2.70068      446.023  -41.3441      148.075  -48.026      326.294  141.683       
1 1 1 12 7  8  o 0 3.23757  0.461714  -0.900202     -0.209138    -0.0426939    -0.0272066    106.808  -123.59       87.9393  171.941      113.094  100.969       
1 1 1 12 7  9  o 0 4.71432  0.213605  -0.306653     -0.543644    0.0649849     -0.0568366    301.485  -144.962      37.4081  -104.749     306.268  30.5148       
1 1 1 12 7  10 o 0 0.904807 0.648666  0.207458      0.0275191    -0.0143687    0.000925896   142.313  -131.989      154.697  45.8081      311.199  46.9162       
1 1 1 12 7  11 o 0 6.01297  0.224839  -0.181102     0.279749     0.0681821     -0.0568004    295.227  -177.877      242.024  175.562      77.3312  23.0761       
1 1 1 12 7  12 o 0 5.97569  0.255303  0.0904124     -0.628206    -0.0777059    0.0260776     157.888  -103.864      348.898  -99.2904     185.951  -95.2597      
1 1 1 12 7  13 o 0 1.91298  0.6664    -0.204888     -0.359827    -0.0138591    0.000815243   30.5628  -70.2336      39.7552  -112.118     26.5421  -160.465      
1 1 1 12 7  14 o 0 2.45714  0.580521  0.139453      -0.00450292  0.000755726   7.62588e-005  109.29   9.44078       71.8533  7.37959      56.1714  -167.922      
1 1 1 12 7  15 o 0 0.841655 0.815645  -0.138683     0.0832571    1.68517e-005  -0.000579007  39.697   -52.5863      29.1218  132.696      72.5687  129.531       
1 1 1 12 8  0  o 0 12.1655  0.0938033 0.237481      0            0             0             243.071  180           335.988  180          121.327  -180          
1 1 1 12 8  1  o 0 11.0383  0.177587  -0.803491     1.55706      0.289         1.56073       496.115  90.0979       362.775  56.8432      233.518  -31.4838      
1 1 1 12 8  2  o 0 12.6344  0.890728  -11.4875      45.0957      9.71937       4.62263       883.299  149.261       344.047  76.8541      715.826  -3.47178      
1 1 1 12 8  3  o 0 4.77408  0.0902782 1.15468       -0.0783822   -1.66369      0.991085      194.397  21.2642       100.248  108.104      225.13   174.866       
1 1 1 12 8  4  o 0 6.66019  0.749251  -25.5052      -27.4905     0.335401      -9.13023      363.796  -117.708      203.945  -139.648     209.535  83.617        
1 1 1 12 8  5  o 0 13.829   0.629187  25.0239       20.0528      -2.47328      -7.68241      611.354  45.855        577.964  54.3011      111.506  176.275       
1 1 1 12 8  6  o 0 8.8449   0.530912  10.6748       2.36092      -2.13923      -1.27464      462.807  15.5888       265.62   0.552279     241.255  -147.814      
1 1 1 12 8  7  o 0 9.65697  0.10836   -0.0474723    0.718978     0.361001      -0.335333     303.409  59.2067       473.861  64.0246      145.893  75.0376       
1 1 1 12 8  8  o 0 12.1162  0.103856  0.303827      -1.28981     0.688012      -0.194592     540.593  -35.5218      530.069  -33.9546     63.2477  131.228       
1 1 1 12 8  9  o 0 5.88726  0.213506  0.109622      -1.48404     0.3323        0.183435      312.108  -14.1174      174.705  -60.224      253.005  -164.275      
1 1 1 12 8  10 o 0 3.36164  0.354912  -0.666664     -0.190679    -0.04692      -0.128561     75.0359  127.303       125.393  165.026      79.8988  -158.913      
1 1 1 12 8  11 o 0 1.48306  0.615658  0.0850646     0.207916     0.0240144     0.0212626     92.4309  139.493       55.237   -25.6777     150.515  -35.1178      
1 1 1 12 8  12 o 0 2.02857  0.576473  -0.110543     -0.0323407   0.00394916    0.00143966    189.01   -147.933      69.3046  34.0902      262.8    32.6005       
1 1 1 12 8  13 o 0 4.90823  0.350777  0.539936      -0.118332    0.00853495    -0.013369     118.281  -40.6529      292.481  -36.1849     179.523  -33.3612      
1 1 1 12 8  14 o 0 2.45805  0.575027  0.575108      0.394618     0.00511482    0.0150432     77.1975  131.315       93.9913  76.824       84.0505  16.8613       
1 1 1 12 8  15 f 1 1.23378  0.821138  -0.0832803    0.422593     -0.000248438  -0.00298823   59.117   -66.091       26.0954  100.467      88.8654  109.995       
1 1 1 12 9  0  f 1 25.5088  0.124834  1.57385       0            0             0             706.636  -2.25303e-014 971.457  0            365.271  3.73902e-014  
1 1 1 12 9  1  o 0 16.9221  0.0696222 -2.09434      -2.36532     -4.23423      -4.75067      616.111  -62.5308      722.351  -75.3608     241.708  -104.108      
1 1 1 12 9  2  o 0 21.4334  0.845013  -4.95993      43.8511      10.4208       1.29346       462.422  70.1548       1480     96.7621      1059.32  108.891       
1 1 1 12 9  3  o 0 0.989661 0.462171  0.82465       -2.06454     0.322485      0.329945      141.754  -29.2557      108.256  170.203      254.595  158.887       
1 1 1 12 9  4  o 0 10.1467  0.238667  -9.37115      2.98601      -6.26302      2.77431       438.298  93.1082       456.007  104.22       88.6615  -169.308      
1 1 1 12 9  5  o 0 10.5319  0.237321  3.34466       1.18367      -0.89251      -1.27962      586.593  56.6876       239.882  48.199       375.982  -117.908      
1 1 1 12 9  6  o 0 10.8796  0.195859  1.75832       3.07919      0.293921      -1.42027      593.97   134.274       369.706  107.744      327.366  -15.4316      
1 1 1 12 9  7  f 1 5.5099   0.192225  1.64647       3.58573      2.32787       -1.59863      153.394  103.873       125.598  60.7809      111.447  -25.7811      
1 1 1 12 9  8  o 0 1.53198  0.444492  -0.238992     -0.142406    -0.120704     -0.0720488    436.318  -43.8107      404.278  139.075      873.738  137.524       
1 1 1 12 9  9  o 0 10.742   0.121716  -0.0254322    0.256203     -0.172555     -0.0308895    419.192  18.4429       488.071  24.6161      63.4409  74.2642       
1 1 1 12 9  10 o 0 4.19638  0.276432  0.10065       -0.0430927   -0.00868296   -0.00568395   136.247  -69.3854      167.367  -66.0561     27.4573  -48.6536      
1 1 1 12 9  11 o 0 6.93885  0.206288  -0.116779     0.390548     -0.0224692    -0.0453609    252.337  157.752       359.386  152.607      104.43   139.776       
1 1 1 12 9  12 f 1 4.63088  0.42111   0.787012      -0.907651    -0.0750677    0.0144276     186.403  2.34594       201.832  -21.8435     82.7033  -88.039       
1 1 1 12 9  13 o 0 3.56772  0.436346  -0.0409791    -0.403478    -0.00671997   0.000544793   122.583  10.4084       153.098  -2.03041     47.2238  -33.883       
1 1 1 12 9  14 o 0 0.466419 0.741309  0.271187      -0.0593429   0.00276093    -0.00312206   44.7229  -13.4044      35.7305  166.409      85.666   166.518       
1 1 1 12 9  15 < 0 0        1.62672   0.158246      0.0246024    0.000490033   0.00012888    ?        ?             89.0064  123.123      ?        ?             
1 1 1 12 10 0  o 0 13.6198  0.102024  1.01621       0            0             0             100.932  -4.80528e-014 600.86   0            489.277  1.09587e-014  
1 1 1 12 10 1  o 0 13.5844  0.370557  -6.38299      20.6104      10.7851       10.1744       517.263  23.2846       761.009  54.0282      400.226  99.6975       
1 1 1 12 10 2  o 0 4.04256  0.17619   2.01998       -4.42486     2.0864        3.13082       297.18   -96.0286      113.79   130.464      402.537  95.8024       
1 1 1 12 10 3  o 0 10.4912  0.237737  -3.61064      1.1662       -0.953806     0.424138      408.512  171.866       415.925  159.271      93.2057  68.5514       
1 1 1 12 10 4  o 0 8.87122  0.272132  -5.03749      -11.5167     3.69238       -5.39396      293.038  -86.8695      469.312  -48.9386     296.119  -9.903        
1 1 1 12 10 5  o 0 10.684   0.361159  -1.02467      6.89024      1.85721       0.255992      188.788  93.522        628.777  105.84       440.976  111.232       
1 1 1 12 10 6  o 0 1.72078  0.327555  0.00157248    0.0582191    0.0100537     -0.00741335   248.932  131.99        209.864  -47.2619     474.288  -47.6791      
1 1 1 12 10 7  o 0 5.83046  0.152851  0.0778101     0.944274     0.320219      -0.175353     241.518  58.2427       165.179  71.0595      101.689  -142.878      
1 1 1 12 10 8  o 0 11.8623  0.109066  0.205293      0.275259     -0.0251406    -0.0402321    379.259  85.5187       626.667  84.0985      226.357  81.5844       
1 1 1 12 10 9  o 0 8.74094  0.267661  -1.2016       -0.526101    -0.171499     -0.0411795    323.768  -94.2602      403.53   -114.247     143.323  -168.491      
1 1 1 12 10 10 f 1 5.53647  0.243661  -1.06592      0.396368     -0.23126      -0.00363225   126.304  111.376       327.228  124.105      205.849  131.88        
1 1 1 12 10 11 o 0 2.85745  0.435455  0.104623      -0.12546     -0.00532065   0.00274114    86.064   -118.1        43.9915  -94.186      49.4264  40.7506       
1 1 1 12 10 12 o 0 2.49109  1.12457   0.126864      0.67196      0.00479698    -0.0326322    95.0181  -143.135      52.5321  157.539      77.6991  72.4208       
1 1 1 12 10 13 o 0 3.11564  0.477498  -0.463381     -0.042669    0.00765965    -0.00217811   116.144  45.9855       102.505  60.9102      27.6722  153.427       
1 1 1 12 10 14 o 0 1.36601  0.716044  0.0159268     0.206516     -0.00151876   0.000643752   60.5506  107.621       17.2443  91.5476      49.9255  -66.8919      
1 1 1 12 11 0  o 0 5.54076  0.140763  -0.0705175    8.63562e-018 0             0             546.276  180           220.677  180          369.408  -2.08691e-014 
1 1 1 12 11 1  o 0 2.30873  0.194249  -0.861251     -0.666036    -0.328642     -0.688497     147.484  -165.651      82.6718  -5.9853      235.934  7.35521       
1 1 1 12 11 2  o 0 4.30772  0.526582  -4.90001      -24.0475     8.78761       -3.31107      148.964  141.301       339.292  -105.068     426.222  -85.5262      
1 1 1 12 11 3  f 1 12.7473  0.153848  -2.02237      -5.06341     5.07227       -1.83545      627.155  -148.7        571.233  168.059      448.933  91.9566       
1 1 1 12 11 4  o 0 7.44704  0.139783  1.51393       -2.96092     2.26673       1.71304       361.315  -132.142      160.224  -133.3       208.014  48.751        
1 1 1 12 11 5  o 0 7.35638  0.0968958 0.282979      0.462822     0.498666      -0.151357     215.459  -9.08336      354.773  2.95617      141.974  22.3314       
1 1 1 12 11 6  o 0 18.2119  0.180201  1.40851       3.40456      0.296462      -1.34402      644.201  -11.8465      965.372  -5.01767     309.031  9.95793       
1 1 1 12 11 7  o 0 9.5009   0.110098  1.21161       -0.0664789   -0.631202     0.67381       394.932  -75.13        393.742  -79.5152     34.7567  164.888       
1 1 1 12 11 8  o 0 3.8777   0.463912  -2.47989      0.0658919    -0.320959     0.0664389     74.3096  -130.235      211.44   175.466      177.921  154.955       
1 1 1 12 11 9  o 0 4.19502  0.269684  -0.301675     0.347741     -0.0546963    0.0777401     134.311  103.578       174.813  107.613      41.8257  120.681       
1 1 1 12 11 10 o 0 5.02629  0.264632  0.849915      0.39416      0.10844       -0.168036     102.919  -100.376      223.642  -56.2991     166.264  -31.0371      
1 1 1 12 11 11 o 0 2.08224  0.961311  0.121888      0.128225     -0.00145844   -0.0022761    95.676   -83.9997      32.5015  74.2341      124.3    90.4361       
1 1 1 12 11 12 o 0 2.63538  1.19524   0.32433       0.12132      -0.000867633  -0.00526585   115.793  -34.8205      74.4403  -18.8703     40.8194  115.104       
1 1 1 12 11 13 o 0 3.08724  0.50193   0.204158      -0.0309146   0.000441071   -0.000478848  156.699  158.11        104.429  155.945      71.941   -18.7467      
1 1 1 12 11 14 o 0 2.08304  0.620702  0.141749      -0.218261    -0.000237985  -0.00153369   12.8662  -90.98        51.1906  -73.544      38.309   -67.377       
1 1 1 12 12 0  o 0 23.904   0.178548  0.836953      0            0             0             1071.04  -7.06975e-015 1096.75  0            27.3311  180           
1 1 1 12 12 1  o 0 3.96232  0.180839  0.171382      0.0989475    0             0             259.512  30            95.4722  30           173.446  -150          
1 1 1 12 12 2  o 0 4.58258  0.158113  0.00972302    0.0168408    0             0             185.778  60            68.2044  60           121.643  -120          
1 1 1 12 12 3  o 0 3.24037  0.216499  -8.44774e-018 -0.0459889   0             0             258.705  -90           50.3277  -90          210.666  90            
1 1 1 12 12 4  o 0 5.02991  0.163582  0.0882481     -0.15285     0             0             126.293  -60           129.586  -60          4.50259  -60           
1 1 1 12 12 5  f 1 9.48683  0.135094  0.281979      -0.162801    0             0             523.407  -30           428.536  -30          100.159  150           
1 1 1 12 12 6  o 0 7.33485  0.153538  -0.169536     2.07615e-017 0             0             395.97   180           324.548  180          78.9222  -2.31638e-014 
1 1 1 12 12 7  o 0 1.61245  0.567895  -0.0262444    -0.0151522   0             0             30.5728  30            0.621403 30           30.3456  -150          
1 1 1 12 12 8  o 0 1.92354  0.578043  0.00906228    0.0156963    0             0             34.2139  60            5.96992  60           28.4628  -120          
1 1 1 12 12 9  o 0 1.30384  0.742857  -1.3e-017     -0.0707712   0             0             34.2789  90            1.28373  90           32.0828  -90           
1 1 1 12 12 10 o 0 7.97496  0.255037  -0.087502     0.151558     0             0             159.38   120           355.266  120          201.802  120           
1 1 1 12 12 11 o 0 1.76068  0.784734  -0.00777025   0.00448615   0             0             27.657   150           8.51006  150          17.7345  -30           
1 1 1 12 12 12 o 0 5.55878  0.40166   -0.420749     5.15251e-017 0             0             180.997  4.34661e-015  240.509  0            78.3859  -8.98995e-015 
1 1 1 12 12 13 o 0 0        2.21359   -0.139476     -0.0805266   0             0             8.40018  -150          0        0            8.97264  30            
1 1 1 12 12 14 o 0 0        2.19089   -0.0616978    -0.106864    0             0             2.89067  -120          0        0            2.99483  60            
1 1 1 13 0  0  o 0 4.46094  0.14117   -0.0301651    3.69403e-018 0             0             433.795  -180          60.161   -180         290.687  1.89468e-013  
1 1 1 13 0  1  o 0 24.1785  0.113206  0.170755      0.295756     0             0             1233.16  60            809.325  60           134.866  -120          
1 1 1 13 0  2  o 0 1.34164  0.247907  -0.0110223    0.0190912    0             0             359.935  120           8.83008  120          256.074  -60           
1 1 1 13 0  3  f 1 28.2772  0.128494  -1.01409      1.24186e-016 0             0             1242.17  180           888.948  180          9.32051  -180          
1 1 1 13 0  4  o 0 3.11448  0.167357  0.0486319     0.0842329    0             0             327.481  60            55.832   60           240.368  -120          
1 1 1 13 0  5  o 0 6.245    0.125553  0.121395      -0.210262    0             0             632.722  -60           231.903  -60          338.319  120           
1 1 1 13 0  6  o 0 2.75681  0.248602  0.0258689     0            0             0             51.493   -1.3296e-013  8.69747  0            37.6324  180           
1 1 1 13 0  7  o 0 4.08656  0.209242  -0.0300527    -0.0520527   0             0             468.313  -120          136.846  -120         405.652  60            
1 1 1 13 0  8  o 0 9.93479  0.143854  0.168933      -0.292601    0             0             314.596  -60           454.923  -60          93.5279  -60           
1 1 1 13 0  9  o 0 10.6911  0.152153  0.0202698     0            0             0             200.275  2.17166e-014  517.539  0            282.658  -1.8046e-014  
1 1 1 13 0  10 o 0 7.33485  0.211925  -0.0975108    -0.168894    0             0             122.393  60            175.315  60           34.9802  60            
1 1 1 13 0  11 o 0 4.50555  0.368168  0.0242225     -0.0419545   0             0             37.2308  120           18.5051  120          22.8809  -60           
1 1 1 13 0  12 o 0 4.47214  0.426843  -0.000361009  4.42093e-020 0             0             221.457  1.06054e-015  209.999  0            20.6677  -180          
1 1 1 13 0  13 o 0 3        0.656449  7.51959e-005  0.000130243  0             0             325.73   60            133.913  60           189.195  -120          
1 1 1 13 0  14 o 0 1.09545  0.97798   0.188803      -0.327017    0             0             137.667  120           8.49915  120          115.501  -60           
1 1 1 13 0  15 o 0 0        2.28035   0.175951      0            0             0             142.345  -4.99593e-015 0        0            149.646  180           
1 1 1 13 0  16 o 0 0        2.09762   -0.0232729    -0.0403099   0             0             84.4541  60            0        0            80.5697  -120          
1 1 1 13 1  0  o 0 6.76018  0.080397  0.154679      0            0             0             542.769  2.65542e-014  207.794  0            208.82   -180          
1 1 1 13 1  1  o 0 33.694   0.098222  2.82862       -1.46975     7.78004       -13.0849      1243.83  -40.022       1243.67  -27.994      402.305  0.0842742     
1 1 1 13 1  2  f 1 3.92479  0.524041  -6.77161      -3.4016      -2.35852      -2.85192      170.141  -22.4649      208.504  -156.175     302.554  -172.587      
1 1 1 13 1  3  o 0 17.0253  0.656871  1.03605       -2.65278     0.205845      0.274233      609.181  -90.9198      556.916  -84.8214     144.357  -66.7247      
1 1 1 13 1  4  o 0 18.1205  0.994245  14.1169       -11.8724     -1.57762      5.15855       581.815  -72.0838      831.364  -69.2704     323.699  -64.8417      
1 1 1 13 1  5  o 0 22.6284  0.171627  2.74951       -1.1944      -0.0512295    2.46187       1136.94  14.9244       713.362  26.1895      327.343  169.729       
1 1 1 13 1  6  o 0 14.4415  0.518905  1.13908       7.66167      0.721627      -0.317819     521.813  53.1788       802.311  77.5914      359.289  120.537       
1 1 1 13 1  7  o 0 13.4101  0.431257  17.3546       7.73368      -4.61497      -3.82764      567.41   38.0889       631.716  57.0494      210.631  141.061       
1 1 1 13 1  8  f 1 5.99229  0.358202  4.96755       -1.91728     -0.841405     0.992882      355.034  4.45789       140.786  -37.0269     305.053  -157.741      
1 1 1 13 1  9  o 0 3.56816  0.2425    0.612638      -0.333088    -0.159333     0.113169      105.374  146.313       139.153  -28.9776     261.382  -31.1819      
1 1 1 13 1  10 o 0 8.81502  0.133894  0.199139      0.253744     -0.0943494    -0.0738516    360.451  -107.176      378.862  -100.323     57.473   20.956        
1 1 1 13 1  11 o 0 4.61997  0.267937  -0.40275      -0.203101    -0.0413945    -0.0116295    279.659  -114.868      45.1497  -163.579     283.5    72.0052       
1 1 1 13 1  12 o 0 4.46142  0.325185  1.05593       0.563279     -0.18963      -0.0343152    165.508  16.8551       201.689  26.2137      41.5477  68.9833       
1 1 1 13 1  13 < 0 0        1.56394   -0.146695     0.204437     -0.0123603    -0.0317973    ?        ?             93.5246  145.032      ?        ?             
1 1 1 13 1  14 o 0 3.92577  0.7557    -0.710862     -0.235023    0.00549879    -0.0114156    164.016  -127.039      164.496  -135.827     28.024   169.225       
1 1 1 13 1  15 o 0 1.83625  0.712145  -0.180119     0.109313     -1.90937e-005 -0.00107435   68.6174  107.14        59.8088  116.283      16.1696  -108.856      
1 1 1 13 1  16 o 0 1.50079  0.815941  0.11146       0.75679      -0.00557383   -0.00655162   30.9052  -157.56       46.7653  97.3022      61.9682  69.1989       
1 1 1 13 2  0  o 0 10.8628  0.0867589 -0.341387     4.18065e-017 0             0             869.501  -5.371e-014   350.464  0            293.016  180           
1 1 1 13 2  1  o 0 39.9226  0.11293   4.0101        0.636909     -2.76688      7.34224       1566     65.9758       1358.93  54.2842      354.262  14.9595       
1 1 1 13 2  2  o 0 18.1435  1.55305   35.0625       -3.08778     -8.07123      2.0673        943.194  86.4261       773.297  4.16583      939.053  -38.8891      
1 1 1 13 2  3  o 0 14.0033  0.475111  -2.88955      12.069       9.559         2.78445       453.993  144.033       693.272  179.252      437.134  -149.815      
1 1 1 13 2  4  o 0 20.6818  1.00582   13.552        -5.66043     -1.71133      2.28644       879.368  34.5932       824.878  1.91454      449.036  -62.7296      
1 1 1 13 2  5  o 0 6.05139  0.432818  11.9043       0.469241     -3.3238       -0.473716     119.155  121.386       423.627  -6.08748     492.476  -15.5603      
1 1 1 13 2  6  o 0 10.1699  0.204603  -0.226071     2.10162      0.42349       0.212571      120.335  109.167       603.199  96.404       473.445  92.8195       
1 1 1 13 2  7  o 0 12.3716  0.0906458 0.125497      -0.42147     -0.238025     0.23529       394.531  120.888       555.816  112.089      137.586  82.7222       
1 1 1 13 2  8  o 0 11.7118  0.100064  -0.416213     0.31184      0.0745552     0.121149      382.331  -15.945       631.883  -10.0325     214.468  1.72276       
1 1 1 13 2  9  o 0 4.32503  0.200987  -0.00962736   0.18795      0.00493692    0.12283       128.294  69.8262       61.5609  73.909       86.4718  -113.079      
1 1 1 13 2  10 o 0 1.52786  0.713664  0.469461      -0.246072    -0.0644533    0.0532826     176.186  110.241       198.539  -62.0385     397.895  -65.9152      
1 1 1 13 2  11 o 0 4.08871  0.30141   0.189795      0.0566687    -0.0128486    0.00353858    124.884  -45.9796      39.302   6.20103      118.966  118.893       
1 1 1 13 2  12 o 0 5.60162  0.264368  0.158311      -0.01808     -0.00134674   -0.00672097   242.997  55.3027       243.021  52.5132      17.6121  -82.5118      
1 1 1 13 2  13 o 0 5.08056  0.322676  -0.0145272    -0.515199    -0.0241704    0.0280553     309.98   -85.5235      130.477  -88.4076     183.537  96.5263       
1 1 1 13 2  14 o 0 2.39482  0.611206  0.816431      -0.621251    -0.0419351    -0.0287616    72.2535  -25.2233      93.2797  -36.5011     30.5056  -61.9502      
1 1 1 13 2  15 o 0 2.29313  1.06574   0.652803      -0.561196    0.0186811     -0.00324333   86.5264  -101.911      112.953  -77.8037     47.3216  -24.7688      
1 1 1 13 2  16 o 0 0.995838 0.851863  0.419924      -0.0343013   0.00188421    0.00245858    41.7901  132.028       31.462   -21.6307     71.3673  -36.6918      
1 1 1 13 3  0  o 0 15.437   0.0901632 -0.00495226   6.06457e-019 0             0             953.938  1.92016e-014  486.905  0            201.366  -180          
1 1 1 13 3  1  o 0 26.8089  0.0840847 2.25387       -0.561997    5.34945       -9.38108      1261.15  -53.9257      804.314  -21.499      473.037  60.3265       
1 1 1 13 3  2  o 0 10.2511  0.838586  -14.3442      -5.61943     -4.06353      -3.20082      319.378  -111.494      445.153  -131.749     211.166  -158.364      
1 1 1 13 3  3  o 0 8.99753  0.0697482 0.0680365     -0.00628189  0.0386774     0.0513617     479.709  -109.557      146.087  -110.26      258.41   70.8399       
1 1 1 13 3  4  o 0 6.26998  0.905413  -17.724       11.9503      -2.38723      6.76995       64.4414  -127.867      358.409  156.35       349.08   147.702       
1 1 1 13 3  5  o 0 5.41264  0.150257  -6.58232      6.33364      -3.88052      17.7752       345.471  52.2819       102.281  76.3458      202.27   -139.617      
1 1 1 13 3  6  f 1 11.6029  0.249449  -6.61244      -0.847306    -2.22112      -0.126774     402.221  -169.627      553.479  -154.714     174.311  -114.825      
1 1 1 13 3  7  f 1 4.81758  0.264257  -1.67748      2.29351      0.214973      0.455412      374.74   69.3347       227.993  -175.984     543.244  -133.083      
1 1 1 13 3  8  o 0 2.29088  0.285411  -0.0325152    0.077456     -0.133966     -0.0208021    268.854  116.02        195.963  -62.4629     503.863  -63.3902      
1 1 1 13 3  9  o 0 4.2831   0.378171  2.2798        0.422489     -0.333891     -0.184074     284.075  32.75         71.0933  -33.1606     302.362  -134.855      
1 1 1 13 3  10 o 0 5.63133  0.195133  0.288968      0.474511     0.307811      -0.0523575    138.077  44.3445       205.518  38.3843      52.8407  20.5245       
1 1 1 13 3  11 o 0 9.73873  0.151393  0.195789      0.324175     -0.0617945    0.110216      415.602  65.3941       504.439  64.8439      54.6982  60.3141       
1 1 1 13 3  12 o 0 5.68879  0.274165  0.198776      0.312324     -0.0239171    0.000269765   273.625  164.413       225.14   156.646      72.1844  9.34452       
1 1 1 13 3  13 o 0 2.882    0.461297  -0.183472     -0.00522789  0.0035903     -0.00387872   113.333  9.45229       22.5265  16.1307      93.0319  -172.161      
1 1 1 13 3  14 o 0 3.36178  1.28979   -1.06325      1.04327      0.0493271     0.0282309     75.0533  -102.646      160.815  -172.422     151.617  161.781       
1 1 1 13 3  15 o 0 2.47511  1.14193   -0.0575265    0.00558205   -0.00010216   -6.77727e-005 59.1334  48.9605       122.868  50.9787      58.7953  53.1809       
1 1 1 13 3  16 o 0 2.02009  0.618571  0.240724      0.668342     -0.00362131   0.000435148   79.1999  -114.956      43.78    -121.423     37.4762  72.6061       
1 1 1 13 4  0  o 0 31.2186  0.133959  -0.868552     1.06363e-016 0             0             1106.77  180           1229.5   180          232.445  -180          
1 1 1 13 4  1  o 0 8.01629  0.385576  -2.70146      0.642648     -0.847368     0.283434      469.49   -70.2137      376.397  -167.217     587.358  149.284       
1 1 1 13 4  2  o 0 9.06686  0.997541  11.9506       -16.6247     2.27745       5.66652       214.144  -84.6783      423.561  -46.8448     301.794  -25.2662      
1 1 1 13 4  3  o 0 24.1866  1.1972    9.91957       -27.7258     6.33125       6.88112       1087.95  -106.337      831.85   -107.502     76.7187  86.406        
1 1 1 13 4  4  f 1 4.32546  1.1864    -51.5843      14.6069      -10.0135      5.90388       357.852  149.494       60.6761  -123.359     295.807  -42.3272      
1 1 1 13 4  5  o 0 7.20778  0.57594   15.4981       4.34916      -2.58098      -1.77511      510.748  -104.204      864.065  28.9615      1303.3   46.8773       
1 1 1 13 4  6  o 0 2.30974  0.514475  3.16149       -2.06253     -0.216286     0.567918      180.061  -38.565       26.6901  101.918      216.281  136.931       
1 1 1 13 4  7  o 0 9.72227  0.15569   -2.04943      1.48783      0.064071      1.23143       424.808  55.1225       404.841  91.7739      278.377  174.88        
1 1 1 13 4  8  o 0 4.94164  0.268154  -0.694462     2.68615      0.675363      0.226698      124.317  -179.593      296.434  115.09       269.89   86.7791       
1 1 1 13 4  9  o 0 3.10089  0.273881  0.751137      -0.0616974   -0.106943     0.042426      121.55   168.674       160.379  -6.26542     297.62   -8.60144      
1 1 1 13 4  10 o 0 8.25105  0.150724  -0.166207     -0.0621742   -0.00886033   0.0481189     364.196  -148.355      320.859  -148.141     88.0509  30.8669       
1 1 1 13 4  11 f 1 7.40313  0.185355  0.0416897     0.430177     -0.0982258    -0.1088       342.048  -162.875      342.237  -168.461     40.2644  72.9429       
1 1 1 13 4  12 o 0 1.43094  0.696512  0.393953      -0.00952045  -0.014096     0.00783963    89.711   4.85218       36.1402  -171.247     130.607  -174.069      
1 1 1 13 4  13 o 0 1.89093  0.90261   0.183912      -0.345157    -0.00444522   0.0120318     62.9203  -115.677      34.6805  -71.5026     44.1293  31.1181       
1 1 1 13 4  14 o 0 2.81797  0.534469  0.14843       -0.224876    -0.00061379   -0.00246789   19.2677  -63.3397      63.6371  -59.8196     45.5175  -58.4154      
1 1 1 13 4  15 < 0 0        1.55318   0.256097      -0.166584    0.00243976    -0.00426187   ?        ?             43.9451  62.4241      ?        ?             
1 1 1 13 5  0  f 1 24.8093  0.116345  -0.614653     7.52708e-017 0             0             563.572  -7.80608e-015 963.671  0            470.478  8.18297e-015  
1 1 1 13 5  1  o 0 15.0911  0.650997  1.69783       -6.18846     1.26317       0.514809      395.392  -55.887       713.313  -61.2214     376.522  -66.0312      
1 1 1 13 5  2  o 0 12.5776  0.169753  3.34444       -0.380352    -6.64249      -2.23927      373.679  95.0347       583.122  90.8927      271.764  86.119        
1 1 1 13 5  3  o 0 10.4597  0.137861  -0.775093     0.713193     -0.576925     0.794561      374.97   110.76        353.503  89.3724      130.349  29.2642       
1 1 1 13 5  4  o 0 17.2792  0.0778548 -3.23327      0.636179     18.7176       16.2735       691.619  -158.016      669.193  -162.197     109.763  175.595       
1 1 1 13 5  5  o 0 10.7018  0.701144  -32.2219      34.4448      -0.0163136    17.4661       610.596  81.8881       341.429  97.1466      333.631  -113.736      
1 1 1 13 5  6  o 0 13.9193  0.356379  -7.97858      -6.40731     -0.935411     -2.25802      644.433  -98.655       586.248  -121.669     274.476  137.963       
1 1 1 13 5  7  o 0 2.27004  0.264393  0.299953      0.670474     0.232742      -0.63046      118.325  -123.98       149.427  62.8995      275.499  59.745        
1 1 1 13 5  8  o 0 9.53904  0.176701  1.14408       -1.70336     0.376969      0.399722      148.44   -65.7061      608.411  -56.7402     444.773  -53.397       
1 1 1 13 5  9  o 0 6.115    0.213225  -1.88911      -0.604412    -0.483493     -0.193092     415.257  178.006       77.699   -150.102     401.473  -7.86229      
1 1 1 13 5  10 o 0 3.46497  0.44184   -0.0119494    -0.503125    0.0228533     -0.00835432   201.26   35.8305       118.436  -111.703     330.243  -133.07       
1 1 1 13 5  11 f 1 9.11609  0.163208  0.340075      -0.371035    -0.0635791    -0.152941     386.945  -32.4788      472.24   -34.9371     66.5188  -50.2074      
1 1 1 13 5  12 o 0 4.60183  0.307799  0.108241      0.0970905    0.00383246    0.00483925    122.489  -19.2918      211.524  -14.1793     84.2001  -6.35586      
1 1 1 13 5  13 o 0 1.75532  0.669032  -0.101863     0.294262     -0.0109       0.00278034    153.767  1.5286        42.3042  156.475      190.113  176.122       
1 1 1 13 5  14 < 0 0        1.62759   -0.242047     -0.0736006   0.0102706     -0.000309302  ?        ?             103.631  150.765      ?        ?             
1 1 1 13 5  15 o 0 0.599199 0.742758  -0.0343874    -0.184635    -0.000908456  -0.000434663  80.5021  -147.373      64.427   28.9371      153.131  31.0753       
1 1 1 13 6  0  o 0 6.68581  0.0958372 -0.145988     1.78778e-017 0             0             351.346  180           200.502  180          108.082  -1.9942e-014  
1 1 1 13 6  1  f 1 10.2702  0.159499  0.0106078     0.110222     0.00648293    0.00165879    282.073  -165.167      316.767  -170.039     83.4638  176.027       
1 1 1 13 6  2  f 1 13.7177  1.50635   19.686        -44.0697     9.2698        9.21738       390.103  -38.8465      639.382  -48.925      329.306  -58.7097      
1 1 1 13 6  3  o 0 8.43224  0.132443  -7.60688      4.49157      -4.11451      14.7718       170.117  -159.557      450.458  -129.307     337.215  -117.261      
1 1 1 13 6  4  o 0 7.2722   0.153028  5.93831       0.47651      -5.25502      0.199865      361.115  29.8115       356.636  102.697      438.712  158.832       
1 1 1 13 6  5  o 0 14.5492  0.489746  -27.5765      -3.8656      -10.4517      -1.61289      770.285  -113.68       538.982  -137.462     387.337  100.454       
1 1 1 13 6  6  o 0 4.67249  0.142128  0.321732      0.151587     0.00149402    -0.325925     461.775  139.231       211.798  -26.9237     697.495  -36.6019      
1 1 1 13 6  7  o 0 11.8495  0.0959986 -0.42414      0.197039     -0.26159      -0.0359858    490.039  -164.53       521.07   -166.234     15.6593  113.789       
1 1 1 13 6  8  o 0 14.702   0.299586  -1.44557      3.1167       0.408897      0.245123      649.824  139.347       675.169  135.192      67.9538  5.38503       
1 1 1 13 6  9  o 0 11.1919  0.343854  -2.73445      3.07844      -0.109438     0.772631      434.235  105.585       557.676  111.592      93.6319  144.146       
1 1 1 13 6  10 o 0 8.06742  0.160447  -0.874911     0.385892     0.186459      0.361323      414.067  -135.971      285.156  -161.092     232.44   75.4155       
1 1 1 13 6  11 o 0 4.20078  0.474149  0.383634      -0.509522    -0.00790072   0.030582      128.788  178.44        157.35   -151.817     78.0635  -91.3595      
1 1 1 13 6  12 o 0 4.17506  0.341563  0.0061347     -0.0798716   -0.000341181  -0.00195748   164.559  -23.7617      153.658  -26.8058     19.9879  -179.667      
1 1 1 13 6  13 o 0 1.99912  0.807173  0.0951417     0.477376     -0.00802508   -0.0143442    45.8453  -177.683      42.8329  99.3026      58.1101  49.3399       
1 1 1 13 6  14 < 0 0        1.66522   0.132405      -0.047742    0.000731738   -0.00082075   ?        ?             73.0863  -70.5699     ?        ?             
1 1 1 13 6  15 f 1 2.0742   0.731836  0.269087      -0.0111744   0.000498627   -0.00134459   65.5447  96.1222       83.2318  81.0127      23.5023  28.7343       
1 1 1 13 7  0  o 0 10.9316  0.0907218 -0.438614     5.37129e-017 0             0             754.469  180           414.191  180          240.665  -1.72028e-015 
1 1 1 13 7  1  o 0 7.4809   0.145734  0.274973      1.91336      0.943392      -0.0438369    50.2097  -70.1453      288.163  69.4024      321.62   74.3113       
1 1 1 13 7  2  o 0 7.67911  0.444391  0.615285      -9.92033     1.96988       0.111178      407.91   -67.5084      186.002  -94.8873     192.289  138.905       
1 1 1 13 7  3  o 0 12.0718  0.241937  -8.16678      2.27166      -5.41826      1.85822       411.176  -81.0631      766.971  -136.637     632.64   -171.059      
1 1 1 13 7  4  o 0 16.4814  0.248523  4.04999       -15.2995     12.6025       14.011        669.267  -135.649      811.153  -149.953     217.55   157.245       
1 1 1 13 7  5  o 0 6.12602  0.20831   -5.24565      0.739358     -2.58721      0.325957      230.835  -133.879      196.601  158.308      247.412  93.4951       
1 1 1 13 7  6  o 0 13.2861  0.286768  0.720212      -4.77624     1.33601       0.0383111     599.88   -73.7089      506.948  -65.4138     147.86   76.6448       
1 1 1 13 7  7  o 0 14.6353  0.302593  -0.826648     -4.44505     1.24227       -0.0133057    592.77   -85.0135      711.053  -91.428      98.8914  -138.46       
1 1 1 13 7  8  o 0 7.70663  0.269105  -4.1331       3.07281      -1.26233      2.16202       338.532  96.6683       331.04   93.3786      44.6099  -58.1279      
1 1 1 13 7  9  o 0 11.785   0.168451  1.16296       -0.697861    -0.325494     0.199277      498.892  -100.403      543.956  -88.5084     112.984  -3.28331      
1 1 1 13 7  10 o 0 5.77086  0.263685  0.69117       -0.411632    0.00828696    0.0942495     286.998  8.27517       228.209  1.84499      82.2097  -153.612      
1 1 1 13 7  11 o 0 3.44872  0.426046  0.724671      -0.176014    -0.0563236    -0.0206375    62.4955  140.038       61.7034  24.1868      107.973  -9.01282      
1 1 1 13 7  12 o 0 5.75708  0.261437  0.288951      0.226698     0.0118946     0.0276127     179.667  68.2205       304.958  63.7719      120.729  56.9216       
1 1 1 13 7  13 o 0 4.1943   0.384754  0.0184321     0.558849     -0.0167819    -0.00375919   152.821  -166.729      201.417  -178.358     63.6474  153.637       
1 1 1 13 7  14 < 1 0        1.6349    -0.271179     -0.107752    0.00607016    0.00112728    ?        ?             37.4509  58.4459      ?        ?             
1 1 1 13 7  15 f 1 1.27471  0.789229  -0.209745     -0.461631    -0.00545933   -0.00203575   21.566   -121.586      33.086   -114.364     10.2977  -97.7638      
1 1 1 13 8  0  f 1 1.94936  0.248408  -0.113472     1.38959e-017 0             0             90.0323  -2.36787e-014 3.43492  -180         79.356   180           
1 1 1 13 8  1  o 0 20.9505  0.0781061 0.172146      0.2488       -0.102581     0.138541      947.88   113.441       891.301  108.912      153.216  -39.2121      
1 1 1 13 8  2  o 0 4.81664  0.0932206 0.873833      -0.239115    15.9538       11.3933       334.367  111.395       450.31   -33.1589     767.209  -48.7044      
1 1 1 13 8  3  o 0 9.53206  0.120006  -1.00892      -0.36276     -0.206963     -0.0938715    312.674  75.7879       372.178  127.262      306.395  -176.071      
1 1 1 13 8  4  o 0 5.28519  0.246086  -3.64007      2.08856      -0.457107     1.00571       148.713  145.084       220.398  156.838      75.9153  -178.661      
1 1 1 13 8  5  o 0 4.62387  0.118692  -0.597154     -0.465468    -0.163334     -0.284415     84.5973  -14.6139      153.497  -145.558     221.173  -162.998      
1 1 1 13 8  6  o 0 7.86802  0.106109  0.0845411     -0.278978    -0.105142     0.258291      484.528  -40.868       148.999  -52.5623     354.74   144.016       
1 1 1 13 8  7  o 0 8.9528   0.110852  0.0898298     -1.77151     0.84213       -0.372        453.358  -165.627      310.728  -156.257     189.39   -1.11974      
1 1 1 13 8  8  o 0 3.81984  0.231861  -0.490321     0.482776     0.832696      0.747346      233.737  -159.564      54.5457  151.237      220.783  31.2148       
1 1 1 13 8  9  o 0 4.36054  0.35091   2.41275       -0.551162    -0.37457      0.288919      40.2116  125.525       301.345  -9.62244     333.518  -14.888       
1 1 1 13 8  10 o 0 8.19572  0.279348  1.7243        -1.2944      -0.394449     0.287773      224.598  4.13981       514.766  -4.71404     284.717  -12.0175      
1 1 1 13 8  11 o 0 3.82721  0.343977  -0.0636306    0.118747     -0.0114084    -0.00645704   239.261  42.8659       69.2809  52.8359      180.149  -140.952      
1 1 1 13 8  12 o 0 3.69594  0.382731  0.128719      0.11686      -0.00049171   0.00339264    53.8717  -122.403      138.551  -119.655     85.7878  -117.961      
1 1 1 13 8  13 < 0 0        1.5565    -0.0279093    0.0897878    -0.000133909  -0.000540558  ?        ?             51.8064  16.8836      ?        ?             
1 1 1 13 8  14 o 0 2.69216  0.549457  -0.232791     -0.140937    0.000771911   0.00164313    5.69086  -159.001      65.2435  -152.753     58.8173  -152.067      
1 1 1 13 8  15 o 0 3.08832  1.23849   -0.412507     -0.017939    -0.000878309  0.00199176    85.24    170.384       196.939  172.199      103.792  173.83        
1 1 1 13 9  0  o 0 7.44312  0.112487  -0.334896     4.10116e-017 0             0             98.6199  -180          194.394  -180         87.0534  180           
1 1 1 13 9  1  o 0 7.4868   0.224126  4.62979       -7.15323     1.75174       6.22705       304.156  -87.6595      377.387  -142.944     329.032  162.867       
1 1 1 13 9  2  o 0 22.0312  0.372176  1.96485       -11.499      3.14441       0.327006      790.71   -56.6917      1135.95  -54.5302     308.553  -48.7103      
1 1 1 13 9  3  o 0 11.7206  0.158868  0.902731      -0.797303    -0.116664     0.214984      465.04   -86.5286      476.029  -75.1099     95.4651  12.6516       
1 1 1 13 9  4  o 0 5.59336  0.464038  -0.770222     15.6724      4.15946       0.161568      390.601  90.4039       65.5358  138.25       361.009  -97.3304      
1 1 1 13 9  5  o 0 8.8379   0.319859  -4.07359      -0.456003    -0.92162      -0.386279     415.586  -110.132      362.607  -166.67      377.676  123.09        
1 1 1 13 9  6  o 0 7.25818  0.393828  -4.23366      10.9013      3.19211       3.81803       133.758  39.4654       498.945  70.1926      383.761  81.0949       
1 1 1 13 9  7  o 0 5.47631  0.155601  0.144191      -0.459855    -0.414889     1.13718       130.403  26.0946       118.945  36.2567      30.0583  161.814       
1 1 1 13 9  8  o 0 6.59116  0.153803  -0.175863     0.456362     -0.0425365    0.346735      227.579  -157.891      236.943  -166.309     35.4981  99.8599       
1 1 1 13 9  9  o 0 3.09147  0.315445  -0.534239     0.308459     -0.00965472   0.116677      156.723  -127.288      91.1344  107.829      230.831  71.6095       
1 1 1 13 9  10 o 0 6.57765  0.207142  0.421141      0.501948     0.146963      -0.0401652    253.058  -158.759      322.038  -166.867     74.041   163.402       
1 1 1 13 9  11 o 0 3.92528  0.334491  0.17242       -0.317738    0.0210451     -0.0087021    171.489  39.4276       123.422  20.1821      70.9526  -105.587      
1 1 1 13 9  12 o 0 3.63516  0.388279  -0.0710656    0.515724     -0.0107361    0.0178425     123.62   37.0188       170.608  49.6973      60.2361  75.4548       
1 1 1 13 9  13 < 0 0        1.59564   0.174147      -0.0223756   0.0034957     0.000505473   ?        ?             101.596  -70.8825     ?        ?             
1 1 1 13 9  14 o 0 2.22574  0.65724   -0.372759     -0.455631    0.00696739    0.00542955    11.0399  -13.8025      63.1427  -105.037     64.604   -116.073      
1 1 1 13 10 0  o 0 8.01249  0.110782  -0.304575     3.72984e-017 0             0             232.962  180           287.789  180          39.3554  -180          
1 1 1 13 10 1  o 0 11.2435  0.41959   -19.1348      -7.87499     -5.87838      -7.34726      372.082  122.565       675.77   160.477      439.032  -166.39       
1 1 1 13 10 2  o 0 7.32721  0.354838  -5.93814      -13.1792     3.31683       -4.4979       163.264  -168.353      384.782  -100.349     357.628  -74.3872      
1 1 1 13 10 3  o 0 11.0409  0.540738  10.9922       20.4431      3.92733       -4.93361      594.561  91.7735       378.924  47.5376      427.779  -50.0605      
1 1 1 13 10 4  o 0 10.0412  0.444278  -2.22022      9.37674      2.34994       0.815945      212.982  133.463       584.728  116.051      384.049  106.36        
1 1 1 13 10 5  o 0 3.72052  0.149196  0.159588      -0.00742954  -0.0651645    0.194026      215.395  -114.335      39.4447  46.3424      263.026  62.8211       
1 1 1 13 10 6  o 0 7.91303  0.19645   -0.152645     -0.278145    0.00377097    -0.0107261    225.334  -53.3226      355.173  -62.3124     128.002  -79.0175      
1 1 1 13 10 7  o 0 4.20009  0.202462  0.225447      -0.15794     0.0506826     0.146787      153.06   90.2534       52.1973  -10.653      177.267  -72.9403      
1 1 1 13 10 8  o 0 9.50538  0.306361  -1.16887      5.86015      1.7176        0.265213      324.939  45.596        486.316  72.0411      237.126  111.567       
1 1 1 13 10 9  o 0 3.06875  0.346466  0.565576      0.10815      -0.0653169    0.00206608    49.1952  62.1417       92.9831  27.3699      59.2857  -1.29851      
1 1 1 13 10 10 o 0 3.78143  0.830317  0.534934      -0.80456     0.00267365    0.0270603     21.1336  140.924       129.191  -61.2241     149.128  -58.1385      
1 1 1 13 10 11 < 0 0        1.43178   -0.117834     0.0558898    0.00826187    0.0067662     ?        ?             194.874  -176.962     ?        ?             
1 1 1 13 10 12 o 0 3.33796  0.531364  -0.161268     0.390604     -0.00651894   0.00736735    143.043  -172.766      125.739  174.28       30.8718  73.1556       
1 1 1 13 10 13 f 1 2.27152  0.569936  -0.0738135    0.179134     -0.000541088  -0.000783492  20.6755  32.4539       33.1518  78.134       23.7208  123.272       
1 1 1 13 10 14 < 0 0        1.60767   -0.041034     0.337832     -0.004284     -0.00329093   ?        ?             81.7304  79.244       ?        ?             
1 1 1 13 11 0  o 0 3.98748  0.179797  -0.0613894    7.51778e-018 0             0             115.406  -1.8606e-013  20.8144  0            99.2041  180           
1 1 1 13 11 1  o 0 10.7343  0.665849  13.2588       -44.1701     13.2324       10.1158       391.146  -95.9824      557.703  -125.639     288.09   -169.291      
1 1 1 13 11 2  f 1 18.9691  0.0806461 0.82304       0.577086     0.417619      2.12316       611.783  52.3439       1029.43  41.6174      443.498  26.7483       
1 1 1 13 11 3  o 0 2.08707  0.21226   -1.05102      -0.477695    -0.278698     -0.251061     163.037  14.0459       225.181  -161.465     388.644  -163.355      
1 1 1 13 11 4  o 0 6.65134  0.166335  -1.98824      -2.66761     1.30055       -2.12825      259.059  -6.68219      351.493  -67.733      319.39   -112.316      
1 1 1 13 11 5  o 0 10.2942  0.444802  -4.28291      -5.01894     0.342814      -1.07804      127.746  -83.7553      726.104  -120.941     626.557  -128.217      
1 1 1 13 11 6  o 0 12.0303  0.327953  -1.84346      -8.19646     2.58508       -2.02127      459.588  -148.96       564.489  -145.132     99.7421  -126.763      
1 1 1 13 11 7  o 0 6.85072  0.364036  -0.306614     1.72306      0.133093      0.0272565     223.556  13.2293       332.853  66.4141      268.055  109.458       
1 1 1 13 11 8  o 0 5.53405  0.199015  0.263897      -0.298664    0.0377054     0.0410311     187.145  132.352       65.7326  137.15       125.428  -50.1607      
1 1 1 13 11 9  f 1 8.88959  0.15898   0.285621      0.482768     0.0712029     -0.00955477   283.853  66.5303       504.067  65.2948      227.507  63.7922       
1 1 1 13 11 10 o 0 4.51529  0.280032  0.0462651     -0.0334525   0.0016317     0.000291107   128.915  -51.0555      188.07   -50.4131     61.3836  -49.087       
1 1 1 13 11 11 o 0 4.44866  0.333775  0.21261       -0.317638    -0.00950252   -0.0158536    147.687  -46.5759      186.653  -48.967      43.5989  -56.8647      
1 1 1 13 11 12 f 1 1.60668  0.631571  -0.0404677    -0.380867    -0.0189067    -0.0046195    23.029   -20.4672      26.4415  -100.773     30.8138  -142.704      
1 1 1 13 11 13 o 0 1.76486  0.622057  0.297552      0.0756861    0.00270645    0.00469477    142.093  73.8382       13.7949  13.5341      150.275  -101.588      
1 1 1 13 11 14 o 0 2.29998  0.546426  -0.0300029    -0.272749    -0.000914006  0.00154813    44.107   -104.882      109.818  -102.946     62.546   -101.481      
1 1 1 13 12 0  o 0 3.76829  0.18928   -0.112416     1.37666e-017 0             0             113.418  180           44.8286  180          69.6075  -4.76769e-014 
1 1 1 13 12 1  o 0 2.31353  0.212453  -0.758788     -0.516403    -0.108963     -0.723089     146.808  -140.745      75.1559  48.2042      221.451  42.281        
1 1 1 13 12 2  o 0 14.7169  0.408401  -3.63891      -6.72455     0.655197      -1.64828      501.213  -87.9168      742.107  -92.7267     254.376  -102.076      
1 1 1 13 12 3  o 0 9.49916  0.668737  -2.02366      26.7861      8.51285       2.03057       512.616  54.3759       309.986  61.0859      216.843  -135.24       
1 1 1 13 12 4  o 0 10.5743  0.0828074 -1.4673       0.654701     -0.0232952    1.4188        406.235  52.0615       489.557  61.5951      108.724  100.287       
1 1 1 13 12 5  o 0 18.987   0.166486  -2.30643      0.822138     -0.277077     0.816211      668.617  123.546       965.813  125.568      295.487  130.17        
1 1 1 13 12 6  o 0 3.86011  0.189898  0.0318869     -0.0686394   -0.121263     -0.0313693    85.4901  -137.645      17.4703  -56.0662     84.7541  30.5893       
1 1 1 13 12 7  o 0 3.10774  0.276102  -0.132949     -0.170825    -0.0908798    -0.0905202    98.4236  106.252       52.3399  -99.3927     147.062  -82.6087      
1 1 1 13 12 8  f 1 5.22391  0.212372  -0.255631     0.195952     -0.034085     -0.281199     131.587  179.758       263.058  165.512      144.787  153.201       
1 1 1 13 12 9  o 0 2.53275  1.13371   0.560629      -0.312674    -0.00860737   0.0189948     107.291  -66.4857      49.4476  -25.3158     73.661   87.2889       
1 1 1 13 12 10 f 1 5.35199  0.337262  0.460187      0.197508     -0.0157075    -1.85873e-005 265.377  35.1564       186.993  33.4329      62.9259  -139.716      
1 1 1 13 12 11 o 0 2.45056  0.89013   -0.71225      0.135719     -0.00667598   0.0369149     104.576  80.7976       70.2517  127.934      69.8547  -146.691      
1 1 1 13 12 12 o 0 2.41531  0.54484   0.306402      -0.145281    -0.00213779   -0.00672727   119.092  -169.442      36.5888  -145.649     74.4709  -0.874519     
1 1 1 13 12 13 o 0 1.77903  0.618688  -0.0235942    0.334395     -0.00329424   -0.00135469   57.6791  -142.564      43.7446  -172.619     32.3861  80.0043       
1 1 1 13 12 14 o 0 1.17736  0.638639  -0.106663     0.600099     -0.00946962   -0.00513217   15.6211  -131.749      36.6385  98.8444      48.6237  83.8571       
1 1 1 13 13 0  o 0 26.0115  0.185133  -0.164778     2.01788e-017 0             0             786.743  180           1156.24  180          362.489  -180          
1 1 1 13 13 1  o 0 16.5711  0.113873  -1.03715      -0.598797    0             0             565.619  -150          733.193  -150         165.177  -150          
1 1 1 13 13 2  o 0 9.21412  0.117865  0.188468      0.326437     0             0             400.204  60            403.704  60           4.61903  60            
1 1 1 13 13 3  o 0 17.0323  0.119518  1.29515e-016  0.423043     0             0             653.399  90            742.737  90           96.0288  90            
1 1 1 13 13 4  o 0 9.18695  0.123506  -0.0801902    0.138894     0             0             592.232  -60           397.695  -60          184.49   120           
1 1 1 13 13 5  o 0 6.1563   0.181378  -0.132839     0.0766949    0             0             184.503  150           207.322  150          26.9924  150           
1 1 1 13 13 6  o 0 4.88876  0.243277  0.0537572     0            0             0             78.5723  2.22459e-014  71.7958  0            4.62147  -180          
1 1 1 13 13 7  o 0 3.52136  0.370651  0.0239855     0.0138481    0             0             153.057  30            63.7849  30           84.3748  -150          
1 1 1 13 13 8  o 0 6.05805  0.260885  -0.023295     -0.040348    0             0             296.44   60            264.732  60           13.5858  -120          
1 1 1 13 13 9  o 0 2.42899  0.596221  4.86736e-017  0.158985     0             0             40.4738  -90           4.6872   -90          33.0544  90            
1 1 1 13 13 10 o 0 0.83666  0.863008  -0.0189644    0.0328473    0             0             146.551  120           10.2187  120          125.188  -60           
1 1 1 13 13 11 o 0 1.67332  0.825104  -0.0112575    0.00649951   0             0             71.1595  150           30.2036  150          32.2778  -30           
1 1 1 13 13 12 o 0 1.97484  0.772388  -0.045568     5.58028e-018 0             0             4.29202  -180          7.91331  -180         3.28648  180           
1 1 1 13 13 13 o 0 0        2.23607   0.058504      0.0337773    0             0             95.4175  30            0        0            98.6109  -150          
1 1 1 14 0  0  o 0 8.42021  0.122893  -0.054604     6.68684e-018 0             0             1004.79  -180          271.446  -180         522.922  6.7477e-015   
1 1 1 14 0  1  o 0 38.8536  0.158922  -0.804544     -1.39351     0             0             1396.36  -120          1280.33  -120         227.799  -120          
1 1 1 14 0  2  o 0 26.6177  0.125265  -0.551156     0.95463      0             0             918.018  120           846.013  120          178.585  120           
1 1 1 14 0  3  o 0 32.345   0.14466   1.64638       0            0             0             1525.06  -4.16476e-015 1277.33  0            100.289  180           
1 1 1 14 0  4  o 0 16.9499  0.108449  0.0465614     0.0806467    0             0             728.687  -120          661.161  -120         10.8728  -120          
1 1 1 14 0  5  o 0 9.38616  0.105351  -0.0167938    0.0290876    0             0             102.094  -60           117.425  -60          26.8229  -60           
1 1 1 14 0  6  o 0 5.28204  0.156233  0.34629       0            0             0             163.439  180           3.90099  0            190.706  -1.44114e-014 
1 1 1 14 0  7  o 0 21.9203  0.138265  -0.207277     -0.359015    0             0             1041.75  -120          1090.3   -120         94.9528  60            
1 1 1 14 0  8  o 0 5.80517  0.199722  0.0493871     -0.085541    0             0             157.446  120           158.426  120          17.8158  -60           
1 1 1 14 0  9  o 0 7.91202  0.185199  -0.172448     2.11181e-017 0             0             37.3409  180           154.632  180          111.6    -180          
1 1 1 14 0  10 o 0 9.39149  0.198088  0.0388863     0.0673531    0             0             459.758  60            465.91   60           52.7423  -120          
1 1 1 14 0  11 o 0 2.48998  0.61269   0.00344276    -0.00596304  0             0             60.9578  120           13.5256  120          53.2604  -60           
1 1 1 14 0  12 o 0 4.93964  0.418507  -0.0217952    2.66906e-018 0             0             241.492  180           233.615  180          14.8383  -5.09518e-014 
1 1 1 14 0  13 f 1 5.77927  0.410953  0.103203      0.178752     0             0             217.593  60            262.476  60           52.0125  60            
1 1 1 14 0  14 o 0 0.948683 0.99712   -0.0570947    0.0988909    0             0             45.324   120           10.951   120          29.5793  -60           
1 1 1 14 0  15 o 0 2.36643  0.788529  -0.366091     4.48318e-017 0             0             44.638   -1.04848e-014 43.6373  0            2.10773  180           
1 1 1 14 0  16 o 0 2        0.792545  -0.290736     -0.503569    0             0             22.268   60            24.5225  -120         45.7303  -120          
1 1 1 14 1  0  o 0 14.7919  0.0873684 0.629743      0            0             0             448.641  -1.82574e-014 485.664  0            147.548  4.1838e-014   
1 1 1 14 1  1  o 0 9.95392  2.09248   -39.2034      -54.695      6.15174       -16.5003      333.779  -129.843      352.667  -135.2       114.989  -146.482      
1 1 1 14 1  2  o 0 11.2331  0.899667  11.6504       4.95463      -2.1057       -2.58071      706.684  -33.167       313.294  24.5343      531.707  116.962       
1 1 1 14 1  3  o 0 7.86984  0.26652   -2.07984      0.794958     -1.01394      0.593819      325.038  -99.7299      285.376  -161.721     293.083  139.549       
1 1 1 14 1  4  o 0 8.31737  0.596198  5.37297       -3.79014     -0.720571     1.54449       292.712  -136.738      493.364  -46.2229     556.69   -19.1387      
1 1 1 14 1  5  o 0 5.59901  0.409728  5.17095       -21.2712     11.1859       6.73107       369.654  170.944       311.183  -88.7459     484.344  -48.2619      
1 1 1 14 1  6  o 0 6.82679  0.659612  -28.0787      -18.5557     -3.54097      -9.61047      84.0128  -44.4267      600.533  -161.219     648.33   -168.652      
1 1 1 14 1  7  o 0 10.7217  0.157388  -1.28713      -4.04015     1.13516       -1.5717       397.36   -80.238       512.361  -64.7092     145.772  -10.0183      
1 1 1 14 1  8  o 0 4.61783  0.168075  -0.00256398   0.397931     0.25736       -0.361596     165.133  -100.389      42.3296  77.1485      224.827  79.1476       
1 1 1 14 1  9  o 0 10.3047  0.398228  2.39211       -3.85408     0.394529      0.535264      429.829  -77.0575      494.023  -65.3963     100.152  17.3645       
1 1 1 14 1  10 o 0 5.92887  0.19205   -0.0748946    0.140003     0.0183352     -0.09966      65.7644  -7.13062      81.6117  13.8716      29.3325  78.5726       
1 1 1 14 1  11 o 0 9.59384  0.157178  -0.503478     0.824191     0.254186      -0.0157724    524.087  -140.495      376.51   -150.246     200.589  58.0418       
1 1 1 14 1  12 o 0 2.46481  0.734644  0.241403      -0.286871    -0.00709495   0.011066      120.363  -147.867      38.3699  -49.5244     135.756  15.894        
1 1 1 14 1  13 o 0 5.54083  0.293407  -0.431207     -0.485524    -0.0335329    -0.00114354   248.497  -173.256      223.698  -164.512     42.8494  -45.784       
1 1 1 14 1  14 o 0 3.95646  0.438242  0.650985      0.499789     -0.0015122    0.021509      143.111  -159.885      162.35   -166.621     36.3788  168.551       
1 1 1 14 1  15 < 0 0        1.64063   0.0571747     -0.0186127   0.000102693   -0.000129329  ?        ?             99.7359  91.3081      ?        ?             
1 1 1 14 1  16 < 0 0        1.75242   0.291858      0.1492       -0.000227355  0.000917017   ?        ?             7.63701  38.9212      ?        ?             
1 1 1 14 2  0  o 0 17.0206  0.0905829 -0.532364     6.51937e-017 0             0             864.682  180           688.42   180          111.571  -2.47798e-013 
1 1 1 14 2  1  o 0 14.9447  1.45957   -25.9036      12.3436      -3.49363      4.9281        758.018  -166.116      525.544  154.851      424.747  65.0722       
1 1 1 14 2  2  o 0 20.1365  0.76856   9.83961       14.3389      1.50275       -7.39241      676.307  109.987       914.773  105.72       334.138  98.2328       
1 1 1 14 2  3  o 0 18.4266  1.79008   4.59012       53.3338      13.1923       -1.34699      788.482  70.1283       666.657  70.1183      4.75744  -108.47       
1 1 1 14 2  4  o 0 1.61561  0.181099  -0.200204     -0.742195    0.72595       -0.591399     197.096  19.4745       166.443  -150.523     332.047  -155.531      
1 1 1 14 2  5  o 0 2.45757  0.365742  -3.91536      -4.08985     0.19399       -1.98495      102.732  -137.606      55.2042  -138.98      57.3107  43.7178       
1 1 1 14 2  6  o 0 7.42818  0.47067   -7.77783      -8.37366     -0.00290827   -2.06899      264.748  -129.055      365.294  -130.284     74.7272  -135.072      
1 1 1 14 2  7  o 0 3.70999  0.179231  -0.435665     -0.0949211   -0.234929     -0.367476     130.431  -155.707      42.1126  57.7269      180.364  31.6841       
1 1 1 14 2  8  o 0 4.98588  0.418497  6.95661       4.22462      -0.92817      -2.44245      167.627  45.9568       229.538  16.8075      112.178  -39.3685      
1 1 1 14 2  9  o 0 4.13159  0.253111  0.120639      -0.531907    0.0365357     0.0121689     57.9246  -144.735      105.506  -81.3217     96.1508  -43.6274      
1 1 1 14 2  10 o 0 2.19971  0.998241  0.0961034     0.182915     0.00213124    -0.00252117   82.6384  17.2889       49.2448  179.07       140.277  -169.013      
1 1 1 14 2  11 o 0 9.36736  0.305049  0.235913      -0.424609    0.0142844     0.00681551    388.609  3.95551       488.563  0.969575     75.7904  -15.665       
1 1 1 14 2  12 o 0 0.569146 0.718734  -0.00493325   0.0506685    -0.00174821   0.00170652    10.8448  -45.9421      11.7302  129.771      23.0158  131.874       
1 1 1 14 2  13 o 0 2.09982  0.603877  0.0856862     0.12627      0.00189045    0.00223666    37.8283  110.014       28.6337  86.2718      15.4941  -21.9063      
1 1 1 14 2  14 o 0 2.79264  0.543483  0.0398513     0.191086     -0.00032852   0.00106882    111.804  27.204        86.5169  35.0797      21.1525  173.117       
1 1 1 14 2  15 o 0 0.95262  0.81589   -0.172317     0.125157     -0.00165797   -0.00131597   44.9418  -140.073      19.4121  70.2784      65.4793  48.5426       
1 1 1 14 3  0  o 0 6.66333  0.0888523 0.281583      0            0             0             51.7501  -4.39408e-013 102.926  0            56.2647  3.64409e-013  
1 1 1 14 3  1  o 0 10.8156  1.1517    14.9078       22.7159      2.82234       -7.73982      491.335  106.032       395.098  73.1502      234.919  -8.03388      
1 1 1 14 3  2  o 0 15.3634  0.594894  -5.18713      -5.52386     -0.22436      -2.2369       704.568  -131.594      477.87   -122.395     147.394  17.1844       
1 1 1 14 3  3  o 0 16.3086  0.0729332 -0.105519     -0.111448    -0.0382952    -0.0138806    542.306  -85.1461      650.637  -86.5736     197.481  -89.8541      
1 1 1 14 3  4  o 0 5.65813  0.470395  -0.336232     -11.389      2.41417       -0.260951     185.848  -59.4859      237.562  -100.395     157.533  -140.43       
1 1 1 14 3  5  o 0 14.0461  0.0809796 -1.20895      -1.05771     -2.87308      9.00202       550.198  -150.534      782.157  -114.311     463.749  -65.2245      
1 1 1 14 3  6  o 0 16.7995  0.876779  38.2034       55.7354      5.27486       -18.2425      823.461  102.793       735.334  72.5038      451.174  -21.9198      
1 1 1 14 3  7  o 0 5.82945  0.478368  -3.72929      -11.3291     2.76058       -2.42309      349.867  -81.0046      118.197  -115.827     291.568  112.38        
1 1 1 14 3  8  o 0 7.63839  0.18438   1.34605       1.13363      -0.183409     -0.365858     321.631  46.3631       309.999  48.8807      55.3089  -147.89       
1 1 1 14 3  9  o 0 4.38608  0.20941   -0.184354     0.186619     0.0124572     0.0307945     153.631  19.1286       49.2893  91.2555      164.731  -177.416      
1 1 1 14 3  10 o 0 6.51544  0.300558  0.804782      0.456974     -0.0441103    -0.0398973    369.31   -105.753      157.398  -58.1532     327.41   53.453        
1 1 1 14 3  11 o 0 5.28632  0.261478  -0.128868     -0.101055    0.0370694     0.0148623     121.918  156.221       287.806  161.755      158.366  166.315       
1 1 1 14 3  12 f 1 1.35841  0.719455  -0.451014     -0.184051    -0.050872     0.0126012     99.6234  -34.3929      88.2674  163.325      188.541  153.798       
1 1 1 14 3  13 < 0 0        1.53158   0.0788277     -0.137492    -0.00717949   -0.00460718   ?        ?             205.82   91.6378      ?        ?             
1 1 1 14 3  14 < 0 0        1.66522   0.0684357     0.125394     -0.000887626  0.0013089     ?        ?             43.4116  -79.1157     ?        ?             
1 1 1 14 3  15 o 0 2.6964   0.797533  -0.226036     0.484503     0.00294489    -0.00408639   92.0273  32.8117       146.946  46.803       55.6226  72.509        
1 1 1 14 4  0  o 0 12.818   0.0852483 -0.165352     2.02491e-017 0             0             441.895  -180          486.359  -180         95.6474  180           
1 1 1 14 4  1  o 0 10.9171  0.82638   8.62431       -5.02381     -1.24691      1.81098       526.214  23.5057       404.975  -30.1712     388.415  -99.35        
1 1 1 14 4  2  o 0 13.1092  0.29317   -4.3643       -5.98829     6.12682       -8.44177      426.718  178.409       607.033  156.569      305.978  130.844       
1 1 1 14 4  3  o 0 17.5344  0.4876    -2.20497      6.38692      1.70793       2.26726       692.937  70.2366       653.629  64.0555      104.808  28.0547       
1 1 1 14 4  4  o 0 10.6977  0.671475  11.0405       24.0888      4.50296       -4.56494      346.605  115.534       677.211  57.445       574.958  24.5088       
1 1 1 14 4  5  o 0 11.8371  0.301382  9.01649       8.3018       -1.31309      -5.21013      766.059  91.4798       258.343  94.5135      557.756  -89.9248      
1 1 1 14 4  6  o 0 9.79834  0.361216  13.5712       3.50793      -4.32773      -3.20899      495.849  -35.6018      354.261  -22.0327     203.955  120.349       
1 1 1 14 4  7  o 0 3.94281  0.169671  0.556625      0.368729     -0.891591     -0.494427     404.805  83.495        110.333  -110.328     539.935  -99.3034      
1 1 1 14 4  8  o 0 4.30532  0.216331  -0.807308     -2.28636     0.5417        -0.706447     277.972  -87.536       31.1369  -91.4889     279.83   92.9035       
1 1 1 14 4  9  f 1 7.56724  0.512814  -1.16941      -8.5228      1.68731       -0.237362     189.537  -123.385      478.681  -105.782     286.93   -93.0845      
1 1 1 14 4  10 o 0 4.61656  0.301465  1.23498       0.282534     -0.22635      -0.00214076   185.811  63.8372       156.949  18.9484      145.939  -66.7887      
1 1 1 14 4  11 o 0 5.55942  0.244321  0.160198      0.336951     0.0718298     0.0642428     201.795  -71.9282      266.009  -65.7836     56.687   -41.7771      
1 1 1 14 4  12 < 0 0        1.47391   -0.050309     0.0207013    -0.00226629   -0.00183363   ?        ?             100.956  6.75936      ?        ?             
1 1 1 14 4  13 o 0 0.872735 0.776688  0.123202      -0.229812    0.00826252    -0.000906144  97.6261  -159.388      72.6718  12.6613      167.663  17.1748       
1 1 1 14 4  14 f 1 1.37613  0.756746  0.327225      0.335779     -0.00340622   0.0102187     142.732  31.5907       59.1922  -154.979     223.939  -150.142      
1 1 1 14 4  15 o 0 1.20629  0.696551  -0.446479     0.296503     0.00364254    -0.00607412   15.0696  -130.985      33.5498  145.558      35.6718  118.145       
1 1 1 14 5  0  o 0 27.6893  0.125829  1.78292       0            0             0             1412.65  4.37336e-015  1053.35  0            175.906  -180          
1 1 1 14 5  1  f 1 21.3204  0.690484  1.89075       5.49902      0.58747       -0.691203     636.095  87.1731       987.128  83.9438      459.255  80.2186       
1 1 1 14 5  2  o 0 16.7229  0.366141  -11.1091      11.2857      1.34894       7.20111       647.887  54.7351       685.517  82.0852      323.199  131.758       
1 1 1 14 5  3  o 0 18.4243  0.246831  -3.57676      1.29008      -1.22846      0.439277      831.243  129.186       591.393  126.09       94.6305  -31.0839      
1 1 1 14 5  4  o 0 14.2158  0.0751005 0.892053      0.214362     -0.893907     0.712078      513.015  38.0193       701.304  54.0203      235.489  93.1962       
1 1 1 14 5  5  o 0 8.78277  0.0854717 1.07817       -1.00743     -7.43868      0.85213       211.561  -92.3941      558.048  -90.5461     335.328  -89.3178      
1 1 1 14 5  6  o 0 5.97651  0.362892  6.20565       7.16962      0.148918      -3.97962      469.62   98.2055       49.7323  9.79639      498.332  -76.0692      
1 1 1 14 5  7  o 0 3.16204  0.278014  2.17222       4.36311      2.50444       -2.40241      250.059  -137.173      351.517  54.7797      624.009  49.5269       
1 1 1 14 5  8  o 0 9.53598  0.115061  -0.269497     0.250919     0.137901      0.0985965     270.676  132.252       510.836  136.695      213.302  142.944       
1 1 1 14 5  9  o 0 10.7422  0.175611  -0.122865     -0.133702    0.00369853    -0.00543117   661.25   2.75121       267.793  0.0985712    464.89   -175.721      
1 1 1 14 5  10 o 0 6.2987   0.194731  0.0352809     -0.198871    -0.00969292   0.0388678     210.787  84.4632       187.132  78.8343      49.5466  -73.7929      
1 1 1 14 5  11 o 0 2.74734  0.417685  0.0400338     0.0727705    -0.00624325   0.0031534     273.463  59.9927       66.3626  -120.384     356.876  -120.077      
1 1 1 14 5  12 o 0 6.35314  0.259611  -0.654562     -1.28459     -0.338492     0.136058      259.892  -120.797      312.936  -115.165     50.7077  -83.5228      
1 1 1 14 5  13 o 0 4.59687  0.469854  -0.243377     -1.07142     -0.0246119    -0.0314535    169.405  1.68597       233.98   -18.0341     96.0107  -53.6309      
1 1 1 14 5  14 o 0 3.06038  1.3677    0.0834984     -0.522314    0.00696324    -0.00458096   40.2627  86.0056       28.554   40.3015      34.2796  -57.3965      
1 1 1 14 5  15 < 0 0        1.47979   -0.131108     -0.00716498  0.000756094   -9.79105e-005 ?        ?             64.6765  47.2355      ?        ?             
1 1 1 14 6  0  o 0 3.37639  0.169028  0.173407      0            0             0             89.7259  -1.26198e-013 35.69    0            41.2706  180           
1 1 1 14 6  1  o 0 10.4946  0.591791  -17.7777      -3.62397     -3.54796      -1.22849      606.034  -160.914      223.022  -165.438     285.053  22.6247       
1 1 1 14 6  2  o 0 21.4917  0.498864  -7.15496      -30.1438     18.5503       -5.13412      1096.34  -150.953      669.726  -176.274     410.4    73.3078       
1 1 1 14 6  3  o 0 9.86026  0.0908723 2.85119       -2.17677     0.546357      4.33092       491.666  -129.115      357.887  -121.252     167.812  33.9198       
1 1 1 14 6  4  o 0 11.1398  0.477311  -6.97172      -28.1575     10.2476       -6.75802      154.714  -67.3417      801.805  -53.8968     645.992  -50.568       
1 1 1 14 6  5  f 1 14.3083  0.480657  2.5488        22.4305      6.29549       -2.32806      374.047  49.1337       835      83.0388      558.724  105.609       
1 1 1 14 6  6  o 0 13.4395  0.238008  -2.98393      -4.10174     0.00457787    -2.06032      546.144  162.357       606.564  -176.288     221.003  -105.713      
1 1 1 14 6  7  o 0 16.999   0.0980929 0.265147      2.08391      0.458009      -1.69968      656.452  81.7667       888.944  98.5295      289.615  144.048       
1 1 1 14 6  8  o 0 12.7968  0.234289  -1.62268      -2.36175     0.0101653     -0.670903     534.234  -63.4401      613.693  -77.6177     150.629  -149.72       
1 1 1 14 6  9  o 0 1.67649  0.442475  -0.12474      0.0942149    0.0098818     0.0270427     102.737  75.6305       86.9414  -111.699     199.152  -107.562      
1 1 1 14 6  10 o 0 6.69402  0.343182  -1.7156       0.706502     -0.271217     0.0864674     233.726  170.734       369.452  165.169      124.167  153.965       
1 1 1 14 6  11 o 0 3.46325  0.370374  0.122772      0.10005      -0.00496752   -0.00104308   39.6566  -152.249      27.3776  -163.025     15.7723  46.6876       
1 1 1 14 6  12 o 0 4.37425  0.335998  0.16709       0.821293     -0.0728526    -0.0847732    161.542  93.1765       196.26   90.1202      30.2673  72.951        
1 1 1 14 6  13 f 1 3.44886  1.53101   -0.18571      0.271119     0.00276673    0.000671077   77.5487  51.4168       157.504  64.1842      86.4774  75.1515       
1 1 1 14 6  14 o 0 2.42296  1.11969   0.483927      0.135429     -0.00423899   0.00732556    46.355   173.599       83.8224  158.184      35.2373  134.379       
1 1 1 14 6  15 < 0 0        1.57097   0.107219      0.311646     -0.00285325   0.00091937    ?        ?             57.4184  -18.4384     ?        ?             
1 1 1 14 7  0  o 0 6.41093  0.11491   0.402133      0            0             0             584.918  -1.01049e-015 291.136  0            347.771  180           
1 1 1 14 7  1  o 0 20.2187  0.255436  1.58987       2.55854      0.0640978     -0.452069     723.576  -9.14759      1057.7   6.45395      375.721  40.0627       
1 1 1 14 7  2  f 1 17.9487  0.594397  -15.0508      38.2616      13.9352       10.2031       470.751  35.2987       1176.33  63.4855      781.786  80.5928       
1 1 1 14 7  3  f 1 18.0218  0.197283  -1.80018      1.22599      -0.443386     0.415781      820.702  93.2926       740.238  101.228      147.413  -130.594      
1 1 1 14 7  4  o 0 10.1513  0.255701  8.90648       -4.98032     -1.82503      4.4338        337.773  7.45195       514.041  24.1029      205.566  53.2202       
1 1 1 14 7  5  o 0 5.82908  0.106832  -1.62884      -0.351587    -1.49531      -0.0977327    278.312  96.7174       136.428  176.633      295.999  -110.269      
1 1 1 14 7  6  o 0 5.14668  1.04808   -22.3584      -22.2971     0.217859      -6.49892      139.605  -171.643      341.922  -128.542     254      -104.745      
1 1 1 14 7  7  o 0 3.65952  0.211703  0.0697299     0.513563     0.481581      0.242399      156.497  37.8408       34.3369  55.0791      136.43   -146.437      
1 1 1 14 7  8  o 0 5.62046  0.166189  -0.185659     0.0295775    0.171934      0.173443      199.21   4.8192        138.42   16.8368      85.2587  165.062       
1 1 1 14 7  9  o 0 4.74859  0.242154  0.0289227     1.16775      0.215735      0.0638063     122.586  10.4625       198.643  73.9706      183.188  114.413       
1 1 1 14 7  10 o 0 2.23982  0.458602  -0.0193512    -0.163682    0.0049911     -0.0290518    251.773  6.38951       103.346  -166.184     367.721  -171.529      
1 1 1 14 7  11 o 0 7.44669  0.438535  -0.821426     -0.861885    0.045194      -0.0457289    234.496  -48.8611      433.596  -62.0421     203.145  -77.9855      
1 1 1 14 7  12 o 0 2.53471  0.571685  -0.221579     -0.258419    -0.0111135    -0.0021099    93.0279  152.309       73.9282  175.095      37.2901  -77.8462      
1 1 1 14 7  13 o 0 2.61891  0.530328  -0.145625     -0.366787    -0.0073982    0.00549361    81.6535  126.123       66.2395  155.856      39.2907  -110.61       
1 1 1 14 7  14 < 0 0        1.68018   0.0130708     -0.141757    -0.000681854  -0.0012204    ?        ?             10.6133  14.7295      ?        ?             
1 1 1 14 7  15 f 1 0.882217 0.775051  0.214201      0.0315437    0.000938643   -0.000525078  0.781776 143.02        10.6885  6.86547      11.3188  3.87444       
1 1 1 14 8  0  o 0 5.5857   0.122599  0.23642       0            0             0             21.4954  -3.36287e-013 72.2365  0            49.1341  1.58119e-013  
1 1 1 14 8  1  f 1 6.42401  0.229464  2.27409       -0.584559    -0.320073     0.223202      119.34   171.065       464.283  -13.8861     587.926  -12.843       
1 1 1 14 8  2  o 0 7.83956  0.322156  -2.65913      -8.5145      2.66932       -1.44201      105.103  -49.006       484.607  -113.923     449.33   -126.641      
1 1 1 14 8  3  o 0 1.27557  0.342173  0.0624273     -0.610876    0.0611164     0.0081824     150.169  -72.5292      115.56   110.584      269.898  108.803       
1 1 1 14 8  4  o 0 19.066   0.261701  -2.80146      -11.9847     7.16858       -8.0179       763.57   -36.6359      909.505  -41.504      146.919  -68.327       
1 1 1 14 8  5  o 0 4.98753  0.148168  -0.00374145   0.248167     0.0174123     0.00613885    107.956  -10.8716      75.5121  31.1121      73.4876  125.708       
1 1 1 14 8  6  o 0 10.6273  0.438204  -10.8887      4.11618      -2.04462      2.40675       348.401  126.115       570.344  146.463      257.934  176.369       
1 1 1 14 8  7  o 0 3.85883  0.221856  0.970421      1.45869      0.120804      -0.589703     90.9746  25.5781       138.313  63.4309      85.7656  107.308       
1 1 1 14 8  8  o 0 4.45828  0.45977   -1.75508      -2.30991     0.0511905     -0.359818     310.597  146.648       255.758  -105.845     475.782  -64.1929      
1 1 1 14 8  9  o 0 9.86938  0.180762  0.965921      -0.35673     -0.250464     -0.0874579    341.728  138.21        465.945  121.995      154.066  80.5883       
1 1 1 14 8  10 o 0 2.13371  0.979387  -0.53502      0.0306434    -0.0182147    -0.000871405  177.368  161.286       39.2033  -32.5601     222.337  -21.1322      
1 1 1 14 8  11 f 1 7.38558  0.207627  0.199819      -0.0351322   0.0174043     0.0031757     193.527  -37.1563      450.656  -35.5205     254.574  -34.2597      
1 1 1 14 8  12 o 0 4.3604   0.340919  -0.331697     0.365997     0.0116051     -0.0181678    75.5443  -154.604      248.939  -168.704     178.238  -174.496      
1 1 1 14 8  13 o 0 2.39644  0.961794  -0.0358993    -0.138634    3.56946e-005  0.000645417   20.8308  -109.098      43.927   -107.116     19.0533  -104.525      
1 1 1 14 8  14 o 0 2.30496  0.58372   0.12833       -0.193612    -0.0003748    -0.00118313   62.3274  -137.292      114.344  -127.027     46.2216  -111.133      
1 1 1 14 9  0  o 0 4.70106  0.144398  0.130467      0            0             0             188.251  180           44.727   180          153.802  -2.87705e-014 
1 1 1 14 9  1  o 0 14.1362  0.276929  7.98297       -0.156105    -3.45068      -0.652946     530.908  -62.6306      701.896  -47.6744     220.926  -7.55166      
1 1 1 14 9  2  o 0 14.313   0.192654  -0.661983     -8.35547     8.21969       1.67704       676.406  -178.573      623.972  -146.749     367.415  -62.1482      
1 1 1 14 9  3  o 0 11.1666  0.271543  0.413052      -9.6497      4.48053       1.26563       334.753  -76.5207      468.193  -122.461     336.765  -168.986      
1 1 1 14 9  4  o 0 6.55801  0.154269  -2.16043      2.11866      -0.814167     2.55137       170.88   119           234.622  70.0828      177.814  23.0281       
1 1 1 14 9  5  o 0 6.80256  0.104499  -0.0988542    -0.58881     0.267885      -0.737649     395.695  16.7895       225.309  -46.408      371.292  -130.416      
1 1 1 14 9  6  o 0 8.43116  0.557681  9.12994       11.8108      0.495916      -3.24487      320.204  -0.0905636    472.709  51.491       372.666  96.281        
1 1 1 14 9  7  f 1 8.59196  0.127205  -0.127327     0.317812     0.0162967     0.0433681     205.949  -65.6584      380.995  -65.6972     168.326  -65.7461      
1 1 1 14 9  8  o 0 8.60351  0.136925  1.03532       -1.20625     0.412113      0.517164      380.126  -52.6606      318.702  -40.4336     110.702  89.7705       
1 1 1 14 9  9  o 0 6.56924  0.187084  -0.246396     -0.271531    0.0722666     -0.0246169    200.898  161.328       365.219  167.046      161.887  174.317       
1 1 1 14 9  10 o 0 1.74587  0.63526   0.0298407     0.121816     0.000985884   -0.00364015   104.947  -22.138       50.4317  146.927      156.869  154.366       
1 1 1 14 9  11 o 0 2.77145  0.739835  0.754384      0.355723     -0.0401266    -0.0100291    85.8813  86.3389       91.7751  34.4519      78.3063  -26.4225      
1 1 1 14 9  12 o 0 2.94132  0.653768  0.286968      0.0724605    0.000580931   -0.00394497   85.1023  61.4878       112.68   51.0743      35.4246  26.3924       
1 1 1 14 9  13 o 0 3.71289  0.437965  0.0276086     -0.439613    -0.00402549   -0.0027931    178.539  -120.373      171.242  -114.236     44.0276  35.0571       
1 1 1 14 9  14 o 0 2.26523  1.03051   0.376125      -0.286351    0.00588675    0.00565243    64.8631  -69.2521      119.907  -59.9385     49.3666  -46.1052      
1 1 1 14 10 0  o 0 12.4499  0.103554  0.767557      0            0             0             644.347  -3.09901e-015 560.672  0            103.688  180           
1 1 1 14 10 1  o 0 12.0488  0.376197  -14.0111      20.1427      3.32269       15.4042       505.203  70.3546       559.051  55.016       149.829  -10.3968      
1 1 1 14 10 2  o 0 12.3609  0.226464  -0.718982     3.04974      0.981009      0.158874      579.053  146.465       438.769  137.549      165.204  -9.22899      
1 1 1 14 10 3  f 1 13.6628  0.0857377 0.933118      1.14219      -0.450834     -0.841401     479.052  -13.1784      601.945  -14.6828     130.846  -20.1158      
1 1 1 14 10 4  o 0 5.04923  0.117844  0.228126      0.190497     0.436567      -0.254581     151.37   69.3246       80.7659  33.4426      102.259  -83.0993      
1 1 1 14 10 5  o 0 4.63916  0.300119  0.711211      -2.27372     0.325399      0.168032      160.839  -89.2342      175.638  -68.6822     61.6673  1.71317       
1 1 1 14 10 6  o 0 5.3172   0.326407  -4.14891      3.75379      0.0414871     1.94685       279.302  -179.805      147.332  153.207      169.768  23.3884       
1 1 1 14 10 7  f 1 2.36409  0.360044  -0.0761041    0.0153786    -0.00109247   0.000141685   102.757  179.585       56.7461  1.14828      160.922  0.136066      
1 1 1 14 10 8  o 0 12.1224  0.116733  0.470508      -0.567292    0.255009      -0.130466     410.585  12.0988       618.8    0.975861     219.525  -20.8435      
1 1 1 14 10 9  o 0 6.85631  0.184659  0.599512      -0.639929    -0.178389     0.140537      262.569  -55.6103      337.05   -58.4268     75.0701  -68.3553      
1 1 1 14 10 10 f 1 4.65779  0.489154  0.115288      1.80278      0.119658      -0.105419     141.128  81.2289       238.475  86.7064      101.103  94.2407       
1 1 1 14 10 11 o 0 4.28952  0.362272  0.374032      0.0453343    -0.00143638   0.0139463     252.506  168.018       93.8969  162.605      157.149  -8.7502       
1 1 1 14 10 12 o 0 2.71137  0.486702  -0.385142     0.224124     0.0144996     0.00265768    109.59   -176.541      89.6601  171.814      23.794   52.9757       
1 1 1 14 10 13 o 0 2.30895  0.741185  -0.591147     -0.312413    -0.0105884    0.0111423     105.252  -28.6064      96.4153  -52.0275     49.0239  -157.187      
1 1 1 14 10 14 < 0 0        1.53074   0.242184      -0.207525    0.000468173   -0.00483452   ?        ?             10.4061  122.956      ?        ?             
1 1 1 14 11 0  o 0 13.6784  0.108793  0.23031       0            0             0             651.241  180           598.176  180          55.483   -1.48053e-013 
1 1 1 14 11 1  o 0 6.77748  0.860822  25.3709       23.7965      -0.191915     -9.99675      171.777  13.086        369.475  35.5235      221.196  52.694        
1 1 1 14 11 2  o 0 12.2616  0.304192  4.77324       -7.5393      1.08772       5.39678       491.362  -90.0832      589.185  -120.374     298.413  -174.86       
1 1 1 14 11 3  f 1 20.7239  0.457639  -1.13683      -12.6341     4.76603       0.547927      871.373  -104.642      962.297  -117.687     226.82   -177.904      
1 1 1 14 11 4  o 0 8.07193  0.0885441 -0.357908     1.64561      1.1078        2.52604       432.543  143.06        235.448  -151.986     399.524  -69.21        
1 1 1 14 11 5  o 0 3.2047   0.248868  0.0983134     -0.425373    0.0263793     0.0183814     100.189  95.8915       90.9838  -79.1386     191.87   -81.7541      
1 1 1 14 11 6  o 0 10.3798  0.097492  0.0529302     0.0573465    -0.026646     0.0417027     409.198  47.721        439.944  48.2845      27.8874  56.647        
1 1 1 14 11 7  o 0 11.3267  0.196959  -0.759897     1.00856      -0.0309107    0.216343      322.689  149.82        597.854  144.695      275.584  138.645       
1 1 1 14 11 8  f 1 11.1194  0.485416  -1.09185      -2.8417      0.125972      -0.252754     448.79   -92.1846      561.114  -94.5586     128.871  -102.575      
1 1 1 14 11 9  o 0 2.1874   0.452359  0.0165048     0.00879642   0.00065913    0.000631991   58.2354  -25.6378      5.36508  138.387      62.2257  153.003       
1 1 1 14 11 10 o 0 5.90996  0.244683  0.26599       -0.259087    -0.0317792    -0.0173009    247.308  -117.022      251.545  -109.588     33.5843  -41.2899      
1 1 1 14 11 11 o 0 1.44194  0.671836  0.0458511     0.364536     -0.00884983   0.0236561     83.5393  16.0612       27.1371  149.062      98.2813  -175.589      
1 1 1 14 11 12 o 0 1.31023  0.702309  0.168162      0.0391107    0.00187408    0.00203408    59.532   125.04        27.4414  -35.7762     81.1409  -48.5797      
1 1 1 14 11 13 o 0 2.40408  0.798562  0.125801      0.136939     0.000624589   0.000675734   31.5967  -146.545      72.3752  -150.813     37.6841  -154.762      
1 1 1 14 11 14 o 0 1.63094  0.785515  0.293107      -0.0361628   0.00150368    0.0023212     19.3457  106.257       24.2064  33.4665      26.8769  -14.3904      
1 1 1 14 12 0  o 0 18.9499  0.117997  0.783396      0            0             0             598.669  -1.536e-014   841.329  0            238.056  3.89247e-014  
1 1 1 14 12 1  o 0 15.8222  0.376495  -8.10246      15.4546      4.47423       12.4207       603.722  57.937        783.595  52.3707      189.96   34.3517       
1 1 1 14 12 2  o 0 2.51761  0.204408  0.293995      0.889754     0.142716      -0.140216     55.281   138.534       75.566   50.4356      92.0614  13.656        
1 1 1 14 12 3  o 0 11.7302  0.0997294 -0.890611     0.52553      0.0241349     0.347712      521.628  -169.615      459.875  -171.056     58.9194  21.7004       
1 1 1 14 12 4  f 1 1.84597  0.251641  -0.0327383    0.111061     -0.214838     0.450045      149.801  97.8658       102.537  -77.297      248.038  -80.1365      
1 1 1 14 12 5  f 1 6.89095  0.306456  3.46468       2.75542      -0.0801351    -1.3395       336.03   -23.0173      256.965  14.9429      200.479  104.944       
1 1 1 14 12 6  o 0 7.21905  0.46367   -0.581879     -7.53776     1.53382       -0.0497161    203.725  -153.043      416.234  -105.142     318.722  -77.3467      
1 1 1 14 12 7  f 1 10.9724  0.131532  -0.369147     -0.067602    0.00916212    -0.0666057    419.415  -135.329      476.213  -138.652     75.1078  -156.892      
1 1 1 14 12 8  o 0 7.1433   0.170715  0.176134      0.517278     -0.0228419    -0.123149     236.596  65.4121       365.093  68.1118      139.619  72.4869       
1 1 1 14 12 9  o 0 7.3294   0.180248  0.011977      -0.720377    -0.217164     0.0992436     239.331  -134.137      384.064  -124.534     163.712  -111.098      
1 1 1 14 12 10 o 0 4.59034  0.400004  0.73584       -0.0344871   -0.0224636    0.0289999     180.598  26.5372       181.429  18.0537      28.0269  -46.2059      
1 1 1 14 12 11 o 0 1.84887  0.592389  -0.248957     -0.0015262   0.00492292    0.00523164    109.443  -148.621      9.5368   155.709      93.8775  36.1911       
1 1 1 14 12 12 o 0 1.36584  0.742174  -0.31781      0.0128888    0.00300166    -0.0092462    98.3363  -94.8557      48.7521  109.947      155.151  92.7188       
1 1 1 14 12 13 < 0 0        1.59564   -0.582181     -0.245708    0.0119786     0.011208      ?        ?             81.6905  -133.983     ?        ?             
1 1 1 14 13 0  o 0 5.36656  0.180187  -0.113187     1.38609e-017 0             0             11.4171  180           36.7921  180          25.7019  -180          
1 1 1 14 13 1  o 0 3.6939   0.257579  2.66557       1.5591       -0.430556     -1.10501      271.558  -60.2328      178.962  50.5423      367.366  92.6717       
1 1 1 14 13 2  o 0 16.1491  0.408421  4.62265       -9.01258     1.19679       3.0476        748.683  -5.12684      631.745  -17.0117     167.873  -134.32       
1 1 1 14 13 3  o 0 19.9675  0.348635  -4.09801      -9.14435     5.4545        -2.70078      961.653  -125.034      791.698  -153.207     438.211  113.505       
1 1 1 14 13 4  o 0 4.15313  0.224047  1.38362       2.8448       1.12715       -1.05163      188.883  13.3598       100.938  45.6964      110.184  164.019       
1 1 1 14 13 5  o 0 2.73415  0.254701  0.570048      -0.196861    -0.201639     0.387092      131.372  -12.8179      27.4049  152.748      152.445  164.614       
1 1 1 14 13 6  o 0 6.13134  0.148335  -0.0899292    -0.309115    -0.230076     -0.32094      244.236  -41.9957      196.466  -64.5048     91.2943  -166.523      
1 1 1 14 13 7  o 0 8.9819   0.350976  2.42152       2.27235      -0.313968     -0.593844     426.71   26.5957       358.504  32.093       52.4265  165.669       
1 1 1 14 13 8  o 0 9.6438   0.144028  -0.162982     -0.127607    -0.0161838    0.0264648     316.305  -121.463      506.9    -121.941     213.861  -122.594      
1 1 1 14 13 9  o 0 5.26612  0.241931  0.390702      0.293507     0.0348182     -0.0197164    247.51   48.0045       183.61   44.8331      46.1654  -119.285      
1 1 1 14 13 10 o 0 1.9104   0.551425  0.242898      -0.189412    -0.0131951    -0.0214498    96.6996  -96.3232      21.9512  -42.2765     74.5603  69.8892       
1 1 1 14 13 11 f 1 4.32454  0.876023  0.406549      1.31049      0.0365825     0.0163052     147.334  -56.3935      196.371  -29.3367     101.446  5.30994       
1 1 1 14 13 12 o 0 2.93281  0.911741  0.219383      0.454673     0.00700929    0.00297889    122.222  -44.6743      145.069  -33.9485     30.2772  18.4151       
1 1 1 14 13 13 o 0 3.36441  0.46368   0.541523      0.651        0.00330515    0.0103381     70.9881  42.3901       227.244  44.3996      153.782  45.3602       
1 1 1 14 14 0  f 1 11.077   0.182051  0.151008      0            0             0             922.532  180           454.184  180          392.079  0             
1 1 1 14 14 1  < 0 45.9424  0.188592  1.32352       0.764137     0             0             ?        ?             950.36   30           ?        ?             
1 1 1 14 14 2  o 0 3.39117  0.259507  0.0391586     0.0678247    0             0             36.5188  60            24.3058  60           9.77001  -120          
1 1 1 14 14 3  f 1 14.4534  0.126879  -7.18209e-017 -0.390988    0             0             486.038  90            592.773  90           147.195  90            
1 1 1 14 14 4  o 0 11.7132  0.122504  -0.112741     0.195274     0             0             490.154  120           479.007  120          23.9876  120           
1 1 1 14 14 5  o 0 7.80385  0.163138  0.458816      -0.264897    0             0             203.819  -30           300.897  -30          112.217  -30           
1 1 1 14 14 6  o 0 3.01662  0.36694   -0.0903546    1.10649e-017 0             0             70.2607  -180          30.9466  -180         33.9175  6.62094e-015  
1 1 1 14 14 7  o 0 2.19089  0.507208  -0.0473771    -0.0273532   0             0             271.619  -150          78.6334  -150         165.139  30            
1 1 1 14 14 8  o 0 0.83666  0.802918  0.0372425     0.064506     0             0             173.468  60            12.4869  60           142.609  -120          
1 1 1 14 14 9  f 1 5.74456  0.321005  -3.09198e-017 -0.168325    0             0             81.1694  90            155.666  90           84.5718  90            
1 1 1 14 14 10 o 0 0        1.94936   0.00354802    -0.00614535  0             0             60.9001  -60           0        0            51.7358  120           
1 1 1 14 14 11 o 0 0        2.02485   -0.0710483    0.0410198    0             0             39.7859  150           0        0            33.4555  -30           
1 1 1 14 14 12 o 0 1.92354  0.829976  -0.11718      1.43499e-017 0             0             31.8864  -2.12836e-015 29.5668  0            2.75516  180           
1 1 1 14 14 13 o 0 0        2.14476   -0.172386     -0.0995273   0             0             80.2123  -150          0        0            79.8691  30            
1 1 1 15 0  0  o 0 16.453   0.135631  -0.311733     3.81751e-017 0             0             315.745  -180          479.515  -180         235.906  180           
1 1 1 15 0  1  f 1 13.0729  0.0873824 0.112852      0.195466     0             0             687.302  60            537.185  60           99.8987  -120          
1 1 1 15 0  2  o 0 15.169   0.0917367 -0.0683542    0.118393     0             0             288.533  -60           551.529  -60          288.635  -60           
1 1 1 15 0  3  f 1 8.27043  0.0837858 -0.461516     5.65175e-017 0             0             47.2792  180           175.209  180          133.712  -180          
1 1 1 15 0  4  o 0 16.3187  0.109565  0.443621      0.768374     0             0             722.433  60            627.664  60           7.96332  -120          
1 1 1 15 0  5  o 0 4.47214  0.140839  0.0603029     -0.104448    0             0             10.7017  120           22.4859  -60          34.5677  -60           
1 1 1 15 0  6  o 0 4.26615  0.190541  0.126261      0            0             0             28.5858  -180          16.6123  0            48.735   5.1684e-014   
1 1 1 15 0  7  o 0 1.61245  0.428287  -0.0376303    -0.0651775   0             0             220.432  60            4.81796  60           241.549  -120          
1 1 1 15 0  8  o 0 18.1824  0.136467  -0.0864268    0.149696     0             0             740.198  120           919.77   120          69.9153  120           
1 1 1 15 0  9  o 0 7.91202  0.191227  0.0291181     0            0             0             195.968  180           328.552  180          106.64   -180          
1 1 1 15 0  10 o 0 1.3784   0.686641  -0.00848506   -0.0146966   0             0             79.8569  60            4.70829  60           83.9066  -120          
1 1 1 15 0  11 o 0 9.47628  0.216598  -0.109693     0.189994     0             0             380.386  120           464.83   120          64.4735  120           
1 1 1 15 0  12 o 0 3.91152  0.495555  0.0717975     0            0             0             106.903  180           122.261  180          13.6857  -180          
1 1 1 15 0  13 o 0 3.87298  0.539202  -0.115526     -0.200097    0             0             215.586  60            174.259  60           27.3376  -120          
1 1 1 15 0  14 o 0 2.38747  0.784995  0.123935      -0.214661    0             0             11.3642  120           15.0306  -60          25.1111  -60           
1 1 1 15 0  15 o 0 3.4641   0.676901  0.551482      0            0             0             107.223  -6.1834e-015  174.049  0            64.7616  1.04347e-014  
1 1 1 15 1  0  o 0 1.09545  0.309867  0.0147082     0            0             0             238.744  180           3.84459  180          220.292  -1.43391e-013 
1 1 1 15 1  1  o 0 10.186   0.307076  -0.434848     -7.68128     8.60173       -2.87551      221.202  -97.2856      509.415  -10.5685     536.537  11.2921       
1 1 1 15 1  2  o 0 28.6305  1.62793   37.5901       3.91888      -8.41764      -2.881        1160.2   -13.1503      1150.77  -12.4222     131.229  -6.75254      
1 1 1 15 1  3  f 1 9.0534   0.412383  -0.410627     1.43162      0.149542      0.127272      589.958  146.881       133.511  106.831      408.722  -20.9862      
1 1 1 15 1  4  o 0 27.4859  0.434642  -8.65294      26.5822      15.3237       5.84632       1028.28  164.746       1164.1   167.029      286.811  174.05        
1 1 1 15 1  5  o 0 11.8321  0.422503  -15.8927      28.8849      10.9901       23.5785       612.073  37.7122       497.338  67.0142      342.63   172.445       
1 1 1 15 1  6  o 0 8.06972  0.21707   6.63554       -6.55419     -1.49431      7.27625       312.382  -83.1626      450.284  -126.437     309.102  -176.198      
1 1 1 15 1  7  f 1 11.1522  0.492533  7.86726       8.34745      -0.220685     -2.72927      548.362  42.9113       411.712  58.4617      226.415  -166.264      
1 1 1 15 1  8  o 0 16.8657  0.0978383 0.068383      0.375464     -0.145313     0.0613989     552.12   -144.327      1001.45  -144.214     374.387  -144.025      
1 1 1 15 1  9  o 0 3.19531  0.269963  -0.0693378    -0.0184845   -0.0130801    0.00363813    46.624   18.3158       26.7348  -163.423     79.2002  -162.271      
1 1 1 15 1  10 o 0 3.7438   0.277051  0.0231494     0.334165     0.0335795     0.0122849     206.201  -162.982      71.5817  60.4934      284.768  26.9773       
1 1 1 15 1  11 o 0 4.14327  0.30567   -0.0280412    -0.281655    0.0111015     -0.0126934    53.1546  -67.6447      149.294  -76.0147     94.0919  -80.9987      
1 1 1 15 1  12 o 0 1.56109  0.744448  -0.2342       0.197384     -0.0292384    -0.00169476   110.555  -48.825       83.2054  133.793      196.433  132.284       
1 1 1 15 1  13 < 0 0        1.56394   -0.115073     0.11367      -0.00184695   -0.00701445   ?        ?             21.5719  -30.2918     ?        ?             
1 1 1 15 1  14 o 0 3.45076  0.937292  -0.547446     0.702837     0.0194157     -0.00139398   109.527  63.5888       155.549  86.4937      75.0117  117.4         
1 1 1 15 1  15 o 0 2.45116  1.12793   -0.0761435    -0.441881    0.000530482   0.00405215    89.859   153.5         113.248  168.587      33.3368  -144.346      
1 1 1 15 2  0  o 0 21.6749  0.103313  -0.603146     7.38617e-017 0             0             710.147  -180          860.461  -180         215.593  180           
1 1 1 15 2  1  o 0 13.4941  0.183974  1.09679       -0.599714    -0.0671123    0.548299      739.236  53.4651       351.516  29.9352      355.767  -103.303      
1 1 1 15 2  2  o 0 10.9498  0.805601  -5.83936      10.4802      1.46846       2.92025       718.823  109.757       152.498  100.576      465.754  -67.249       
1 1 1 15 2  3  o 0 17.5863  0.0785112 -1.85196      -0.438844    12.4663       6.46918       1080.42  -161.698      382.903  -174.106     543.694  27.0051       
1 1 1 15 2  4  o 0 7.43244  0.658736  40.9434       -18.9463     -11.7387      15.2313       46.6103  -75.2856      414.269  17.4421      417.952  22.7984       
1 1 1 15 2  5  o 0 7.29893  0.449179  -19.8524      -6.37172     -6.81708      -4.1593       399.281  -127.919      204.158  -114.074     238.874  40.2806       
1 1 1 15 2  6  o 0 8.75766  0.399623  1.27168       16.2286      6.17205       -0.275112     443.121  15.0149       402.183  65.4852      382.897  140.905       
1 1 1 15 2  7  o 0 10.4303  0.0955008 -0.155433     -0.172165    -0.024739     0.220027      657.387  -140.075      239.316  -137.331     469.598  38.5266       
1 1 1 15 2  8  o 0 5.2388   0.16224   -0.355447     0.151816     -0.0201168    0.0714636     253.262  -142.877      112.938  -167.985     188.73   51.833        
1 1 1 15 2  9  o 0 7.44227  0.139783  0.764596      -1.08665     0.295231      0.299933      323.22   -178.202      323.688  -135.434     252.309  -58.7909      
1 1 1 15 2  10 o 0 6.05113  0.191387  -1.16383      0.305209     -0.108186     0.514274      128.996  -177.987      289.374  -172.339     148.08   -166.898      
1 1 1 15 2  11 o 0 2.64386  0.430444  -0.214046     -0.211118    -0.041204     -0.0266942    54.4168  -8.78213      32.4596  -107.83      70.4318  -161.709      
1 1 1 15 2  12 o 0 3.34432  0.409915  0.178754      0.123253     0.00656442    -0.00476466   211.053  -22.5968      46.3774  -2.77737     174.748  152.241       
1 1 1 15 2  13 < 0 0        1.58114   -0.117225     0.184305     -0.0129874    0.00541892    ?        ?             148.304  16.8455      ?        ?             
1 1 1 15 2  14 o 0 3.87211  0.445149  0.542522      -0.858843    -0.00886994   -0.0259455    148.486  167.658       199.231  -171.903     71.5096  -115.706      
1 1 1 15 2  15 o 0 2.47789  0.772383  0.848052      0.176086     0.0086065     -0.0090771    75.7688  -71.5387      134.729  -43.5616     73.8984  -12.7477      
1 1 1 15 3  0  o 0 12.0623  0.0905112 -0.0527487    6.45964e-018 0             0             596.241  3.23555e-014  462.573  0            65.1055  -180          
1 1 1 15 3  1  o 0 17.4321  1.27471   2.55114       -30.6801     7.89651       0.619185      534.373  -94.5772      794.793  -79.3654     371.98   -60.4778      
1 1 1 15 3  2  o 0 15.2116  0.348643  -2.73167      -2.83602     -0.365747     -1.47885      519.797  -76.7715      631.291  -88.0352     220.347  -110.8        
1 1 1 15 3  3  o 0 14.816   0.234733  -0.618681     -4.12948     0.968921      -0.574553     722.535  -29.6986      465.893  -59.3339     301.056  -159.772      
1 1 1 15 3  4  o 0 8.43444  0.465226  16.8111       -35.9828     18.4951       26.3223       324.239  -155.084      472.177  -120.332     272.491  -74.0629      
1 1 1 15 3  5  o 0 23.1694  0.163304  8.19685       -5.06202     0.819081      8.44176       940.808  7.25086       1180.52  31.3412      487.631  88.4267       
1 1 1 15 3  6  o 0 6.79846  0.156317  -2.56662      -0.203073    -0.863975     0.056918      254.905  -161.263      215.375  -161.941     57.3801  21.2857       
1 1 1 15 3  7  o 0 1.63152  0.343249  0.506898      1.06103      0.321824      -0.666305     205.24   -50.7712      208.395  113.914      423.241  121.756       
1 1 1 15 3  8  f 1 7.16141  0.14194   3.20311       -0.608918    -1.63989      1.58495       389.243  -6.83174      268.356  53.2512      374.29   134.747       
1 1 1 15 3  9  o 0 0.85837  0.581485  -0.263276     0.145591     -0.0111516    0.0261684     163.605  -158.651      165.176  24.5404      346.852  22.868        
1 1 1 15 3  10 o 0 5.93139  0.194874  0.00488043    0.335158     0.0227817     0.0808238     299.828  -5.8019       141.851  23.2142      217.599  155.765       
1 1 1 15 3  11 f 1 2.94924  0.401916  -0.132795     -0.149427    -0.0422856    0.0446075     70.6571  -179.147      57.0479  -156.012     30.8671  -45.712       
1 1 1 15 3  12 o 0 1.11617  0.778613  -0.198168     0.252172     -0.0327851    0.00377558    76.166   95.3923       47.387   -95.0626     125.774  -88.5279      
1 1 1 15 3  13 o 0 3.50056  0.963515  0.351385      1.24355      0.00434527    -0.0511712    148.351  148.035       156.222  116.837      81.5107  51.1462       
1 1 1 15 3  14 o 0 2.4548   0.634037  -0.596711     -0.282125    0.0144183     -0.00525875   80.8865  -95.5369      101.324  -129.384     57.2641  164.703       
1 1 1 15 3  15 o 0 2.01869  0.949366  -0.416242     -0.157103    -0.00498143   0.0036355     12.1018  141.856       59.8839  -177.662     50.6345  -167.987      
1 1 1 15 4  0  o 0 39.6056  0.158434  -1.63058      1.99682e-016 0             0             1415.67  -180          1501     -180         273.755  180           
1 1 1 15 4  1  o 0 7.04161  0.350454  1.3436        -1.7397      0.189869      0.466925      239.404  -44.1682      202.416  -48.4061     14.9591  -134.895      
1 1 1 15 4  2  o 0 13.1015  0.836079  48.0712       -46.8574     0.912308      25.9561       542.885  27.892        551.219  -12.0858     355.156  -66.415       
1 1 1 15 4  3  o 0 9.69794  0.953677  13.1578       -65.3681     17.7296       8.31094       197.502  -153.553      727.118  -93.8371     647.482  -77.6831      
1 1 1 15 4  4  o 0 11.2927  0.101553  -1.0766       1.79466      -0.132364     2.08389       288.13   25.9775       718.113  64.6845      517.585  86.16         
1 1 1 15 4  5  o 0 6.56801  0.20762   0.235782      -0.244287    -0.00113392   0.0101566     528.601  -81.7247      76.8759  74.5467      627.729  95.4506       
1 1 1 15 4  6  o 0 2.76289  0.214161  0.0691366     -0.865834    0.450073      -0.0416485    340.011  -44.2392      225.539  143.215      583.892  138.633       
1 1 1 15 4  7  o 0 3.43572  0.19713   1.04597       0.07711      -0.455707     -0.223663     380.963  5.34461       171.78   -168.562     590.484  -172.886      
1 1 1 15 4  8  o 0 6.66704  0.353403  -0.42811      5.23698      1.38244       0.023403      202.712  122.789       346.79   108.727      140.62   85.9762       
1 1 1 15 4  9  o 0 7.64747  0.14446   1.7007        -1.36806     0.295983      1.1189        352.657  11.2042       302.624  7.91943      88.7022  -157.523      
1 1 1 15 4  10 o 0 2.99552  0.486752  1.21599       -0.884912    -0.146741     0.192518      73.6925  45.7017       154.482  -51.9696     183.673  -77.8338      
1 1 1 15 4  11 o 0 3.5061   0.354392  0.0732648     0.0220997    -0.00167488   0.00119418    160.085  -174.499      84.454   -175.539     84.7994  6.53716       
1 1 1 15 4  12 o 0 3.97165  0.509435  0.179634      0.473617     0.0141863     0.00145242    155.928  -157.562      126.288  -179.44      64.7935  69.0122       
1 1 1 15 4  13 o 0 4.35492  0.624745  -0.208179     0.158311     -0.00122501   -0.000432372  205.363  -126.811      178.292  -131.577     26.4152  87.2973       
1 1 1 15 4  14 f 1 1.02825  0.808867  0.236227      -0.276898    -0.00741581   -0.00279521   60.2361  -88.3033      31.8621  68.8071      99.5852  84.548        
1 1 1 15 4  15 < 0 0        1.52661   0.334062      -0.151899    0.00356378    -0.00342061   ?        ?             94.1108  -92.9283     ?        ?             
1 1 1 15 5  0  o 0 11.086   0.0894785 -0.401928     4.92203e-017 0             0             445.094  2.55932e-014  373.085  0            5.99565  -180          
1 1 1 15 5  1  o 0 5.84824  0.214094  0.287451      -7.13226     4.5085        -0.151773     519.843  -45.1816      107.219  75.0951      495.218  124.042       
1 1 1 15 5  2  f 1 8.19166  0.296207  -8.59062      -11.535      1.57302       -8.63393      256.04   -30.3995      523.306  -79.907      404.72   -109.92       
1 1 1 15 5  3  o 0 13.7035  0.103637  2.08918       0.591482     -0.806005     -2.31925      548.007  -13.1115      671.415  -44.4329     349.029  -102.913      
1 1 1 15 5  4  o 0 11.1467  0.392264  10.7252       -25.3973     11.5502       15.4027       438.713  -123.333      559.685  -139.195     173.552  174.85        
1 1 1 15 5  5  o 0 1.69024  0.515487  4.49017       -3.08699     -0.487666     1.62005       130.611  9.61929       81.2126  -113.205     192.576  -149.625      
1 1 1 15 5  6  o 0 10.6498  0.172506  0.687627      1.90366      0.863017      -0.228608     514.954  -3.80723      411.277  14.8791      195.913  133.926       
1 1 1 15 5  7  o 0 9.97929  0.203382  2.50728       -3.1703      -0.295351     2.1957        292.74   -84.4167      587.722  -99.6395     292.19   -116.297      
1 1 1 15 5  8  o 0 4.84686  0.191195  0.289699      -0.0304151   -0.0297398    0.356174      147.911  -34.406       83.042   -2.02902     101.863  119.71        
1 1 1 15 5  9  o 0 6.86266  0.339411  -1.5623       0.750432     -0.0711137    0.135941      285.872  -130.186      309.018  -175.965     241.913  116.084       
1 1 1 15 5  10 f 1 5.72234  0.226779  0.378012      -0.487463    0.292175      -0.0540169    294.911  20.9247       226.375  3.91536      113.551  -123.401      
1 1 1 15 5  11 o 0 6.63327  0.225354  0.0330387     0.225052     0.00391258    0.00863149    149.834  122.481       410.664  119.71       253.21   117.984       
1 1 1 15 5  12 o 0 2.95672  0.461249  0.163291      0.228552     -0.0147981    0.00963793    46.8189  -163.576      23.9411  107.361      53.735   42.8785       
1 1 1 15 5  13 o 0 2.46456  0.551654  0.103999      -0.0664594   0.000517231   -0.00012384   53.7788  -179.979      41.3428  -170.147     13.5945  -31.2639      
1 1 1 15 5  14 o 0 3.25363  0.489925  -1.04147      -0.384897    0.0281468     0.0102304     67.2742  -154.186      246.439  -156.447     168.979  -157.484      
1 1 1 15 5  15 o 0 1.97688  0.893517  -0.193818     -0.407552    -0.00282756   -0.000946464  36.8853  -14.5313      65.4792  -55.0913     43.4974  -92.7266      
1 1 1 15 6  0  o 0 15.3493  0.0971082 -1.02473      1.25489e-016 0             0             722.857  -180          726.349  -180         56.141   1.19511e-013  
1 1 1 15 6  1  o 0 5.0121   0.201733  -2.30673      -1.81518     -0.120533     -1.03013      223.731  -133.263      102.132  -161.394     154.916  64.846        
1 1 1 15 6  2  o 0 1.64269  0.331814  -0.708194     4.50049      2.08636       0.879611      82.9571  151.106       81.3496  31.4614      145.215  0.241276      
1 1 1 15 6  3  o 0 9.65539  0.588882  18.2695       -22.541      1.24881       8.98717       365.309  -43.8933      420.001  -75.255      219.41   -138.865      
1 1 1 15 6  4  o 0 6.21528  0.182971  -4.93563      -0.518018    -2.89628      -1.21117      288.772  96.6899       277.603  157.564      291.8    -139.517      
1 1 1 15 6  5  o 0 1.09543  0.337709  0.500789      -0.0994484   -0.159125     0.0945671     153.764  19.9472       134.03   -155.518     292.344  -157.975      
1 1 1 15 6  6  o 0 5.97126  0.129752  -0.176708     1.11848      0.471601      0.425057      229.872  11.1743       256.362  51.6239      174.118  118.385       
1 1 1 15 6  7  o 0 7.72086  0.346038  2.82705       -0.463755    -0.352189     0.0480114     324.853  41.4992       344.355  7.41573      203.643  -67.127       
1 1 1 15 6  8  o 0 8.39584  0.548724  0.168731      -10.6324     2.15696       0.33261       350.317  -101.187      373.588  -96.7964     29.3841  2.05447       
1 1 1 15 6  9  o 0 1.44933  0.678051  -0.614503     0.127243     -0.0705742    0.0151758     208.659  102.242       182.869  -88.4863     407.287  -82.5522      
1 1 1 15 6  10 < 0 0        1.31215   0.0430446     -0.194916    0.0211078     0.0426911     ?        ?             175.376  -122.053     ?        ?             
1 1 1 15 6  11 o 0 6.06991  0.241491  -0.29915      0.169184     0.031427      -0.0153826    187.339  -172.39       333.899  -176.712     139.296  177.203       
1 1 1 15 6  12 o 0 2.76631  0.470273  0.208387      0.222527     -0.00737995   0.01011       123.213  -29.3912      85.6231  -13.4425     46.364   120.115       
1 1 1 15 6  13 o 0 0.879481 0.747087  -0.0993166    0.132288     -0.000202536  -0.0018565    14.6333  -43.4904      17.0743  132.674      31.2782  134.417       
1 1 1 15 6  14 o 0 2.64577  1.20183   -0.225351     0.304927     -0.00345366   0.00183643    59.2366  5.17394       145.873  18.6579      80.9667  30.0144       
1 1 1 15 6  15 o 0 2.70107  0.62136   -0.364178     0.0660284    0.000439105   -0.000533378  83.3974  -150.368      157.313  -156.611     65.8439  -165.426      
1 1 1 15 7  0  f 1 4.01248  0.155824  -0.169759     2.07888e-017 0             0             292.944  1.23723e-016  50.0429  0            257.012  -180          
1 1 1 15 7  1  o 0 7.51369  0.0743966 -0.760223     0.121859     -1.65587      -1.12837      197.909  137.517       346.282  108.127      194.507  76.628        
1 1 1 15 7  2  o 0 14.657   0.226794  5.76108       4.69578      0.509387      -4.72716      692.423  -13.9508      581.932  -21.8284     159.537  -163.955      
1 1 1 15 7  3  o 0 6.45553  0.539659  -10.9005      -6.90873     -0.937905     -1.73758      324.842  -153.607      212.542  -138.089     139.622  2.35968       
1 1 1 15 7  4  o 0 7.09889  1.11343   0.375875      -49.7831     12.0577       0.613186      414.077  -95.5869      178.708  -94.9555     243.39   83.9495       
1 1 1 15 7  5  o 0 12.1276  0.143547  -1.75572      1.50414      -1.17735      1.30703       464.209  -144.436      568.039  -140.62      104.036  -123.124      
1 1 1 15 7  6  o 0 9.44936  0.356295  2.95102       7.29567      2.174         -1.42859      353.438  22.7418       467.852  33.026       119.464  67.1024       
1 1 1 15 7  7  o 0 3.58225  0.224198  -0.0953635    0.259718     0.136869      0.00867389    69.552   -139.065      50.2983  105.089      106.179  66.1695       
1 1 1 15 7  8  o 0 16.1667  0.100915  0.34407       0.878112     0.505475      0.391776      629.828  71.7036       806.879  64.2466      164.024  32.0285       
1 1 1 15 7  9  o 0 6.93474  0.165883  0.0521377     -0.029901    -0.00807244   -0.012613     214.61   -58.9006      265.461  -57.6723     35.8732  -49.7738      
1 1 1 15 7  10 f 1 8.49238  0.25208   0.493925      -0.878417    0.0977319     0.0330407     260.986  -157.919      513.48   -149.19      251.852  -139.895      
1 1 1 15 7  11 o 0 5.60543  0.265098  0.395876      -0.536113    -0.0851207    -0.0945669    215.893  -163.224      256.437  -149.199     67.0276  -95.229       
1 1 1 15 7  12 o 0 0.452542 0.706734  -0.0722884    -0.224197    -0.00872032   -0.007543     32.2676  -58.9211      26.4108  129.304      58.0379  124.812       
1 1 1 15 7  13 o 0 1.50263  0.738687  0.119782      0.36858      0.00794756    0.00810873    66.5984  33.805        18.2434  121.875      81.7783  -159.078      
1 1 1 15 7  14 o 0 1.18567  0.748564  -0.192953     -0.0589799   0.00135167    0.00112895    18.0842  107.458       13.4194  -160.065     25.2477  -104.616      
1 1 1 15 8  0  o 0 14.7105  0.101268  -0.802457     9.82694e-017 0             0             578.934  180           671.615  180          66.6655  -180          
1 1 1 15 8  1  o 0 16.2059  0.162784  0.696533      -0.607153    -0.0947274    0.136361      623.451  -153.016      732.843  -137.488     206.216  -80.9552      
1 1 1 15 8  2  o 0 6.66892  0.792518  -15.9732      53.4844      14.5381       10.342        269.124  82.656        263.281  79.1045      19.8974  -42.293       
1 1 1 15 8  3  o 0 7.73526  0.210759  -1.45767      -2.76675     0.486279      -1.10727      259.47   152.304       369.129  -137.846     371.955  -96.3911      
1 1 1 15 8  4  o 0 21.2967  0.257718  -2.07715      1.41666      0.0273798     0.386545      820.047  -136.889      1029.37  -145.411     250.136  -174.464      
1 1 1 15 8  5  o 0 7.98893  0.234173  -1.95294      1.00869      -0.166851     0.371828      494.915  -177.395      172.032  168.492      352.513  9.43919       
1 1 1 15 8  6  f 1 22.573   0.270749  -2.13299      -4.77941     0.307424      -1.24353      872.364  -129.958      1150.78  -125.741     261.976  -111.114      
1 1 1 15 8  7  o 0 6.29109  0.207649  -0.459623     -1.03789     0.0793383     -0.154008     232.704  -155.081      237.072  -133.205     91.7188  -49.4701      
1 1 1 15 8  8  o 0 10.7437  0.367276  -2.00313      -5.78278     1.29215       -0.595187     397.391  -118.406      521.464  -121.743     105.726  -135.089      
1 1 1 15 8  9  o 0 3.72422  0.285805  -0.0636793    0.313094     -0.0489625    0.154391      197.301  12.0995       98.7851  40.5223      125.572  170.11        
1 1 1 15 8  10 o 0 4.78437  0.261809  -0.299952     -0.000148837 0.0771294     0.016136      84.9081  -102.108      211.996  -117.94      130.15   -128.493      
1 1 1 15 8  11 o 0 1.71035  0.604086  -0.0655446    -0.297156    -0.0073749    0.0351557     69.9245  160.227       43.4438  -54.0282     110.185  -32.5955      
1 1 1 15 8  12 o 0 2.91377  0.456833  0.0922913     -0.18022     -0.00308358   -0.00308005   46.5074  -70.066       96.1217  -68.2836     50.8856  -66.6978      
1 1 1 15 8  13 o 0 1.55756  0.753267  0.00362283    0.586974     -0.0131903    -0.014764     92.222   98.467        6.77766  42.3163      106.546  -78.5046      
1 1 1 15 8  14 < 0 0        1.55052   -0.106756     0.383874     -0.0052156    -0.00415645   ?        ?             26.197   7.94152      ?        ?             
1 1 1 15 9  0  o 0 12.1244  0.106286  -0.625031     7.65417e-017 0             0             512.883  -3.81969e-015 511.316  0            13.4502  180           
1 1 1 15 9  1  o 0 5.88508  0.355989  -1.59963      6.87506      2.34412       0.888608      174.992  48.5828       285.222  116.672      273.919  153.555       
1 1 1 15 9  2  o 0 9.84719  0.0764124 0.501117      0.436457     0.685378      3.33636       475.839  76.4168       476.887  18.0136      465.554  -42.8339      
1 1 1 15 9  3  o 0 6.54646  0.0928066 0.667269      0.226622     -0.545522     -0.0812467    245.389  89.9255       248.59   74.4644      66.3409  -2.72014      
1 1 1 15 9  4  o 0 3.85165  0.134642  -0.176877     -2.1791      3.73071       0.614521      193.556  -77.2091      140.526  131.585      329.438  114.647       
1 1 1 15 9  5  o 0 8.58227  0.115715  -1.09436      -1.64718     1.38034       -1.0429       519.551  153.482       251.36   -168.609     370.269  -51.169       
1 1 1 15 9  6  o 0 5.52025  0.245629  1.86113       -2.37814     0.383186      0.870319      213.67   -118.281      232.869  -65.2771     202.587  -4.92559      
1 1 1 15 9  7  f 1 6.75776  0.15276   -0.45937      0.345549     0.0876407     0.228026      328.03   -62.6554      151.391  -86.1871     204.666  134.522       
1 1 1 15 9  8  o 0 7.10051  0.159708  -0.0278767    0.294409     -0.0866645    0.119541      244.716  155.29        255.91   144.562      47.7048  62.2015       
1 1 1 15 9  9  o 0 1.18618  0.611784  -0.153214     0.0286997    -0.0210337    -0.0166469    144.845  -177.146      102.909  4.07829      249.673  3.35861       
1 1 1 15 9  10 o 0 3.5281   0.349295  -0.0525722    0.681617     0.0310238     0.0609144     175.547  60.5939       98.7415  76.198       86.6856  -137.249      
1 1 1 15 9  11 o 0 2.21237  1.00613   -0.599367     0.0218053    -0.0175374    0.0105825     87.6316  23.5731       25.2706  115.773      89.4672  -172.821      
1 1 1 15 9  12 o 0 3.61197  0.607639  -0.125942     -0.34676     -0.00200581   -0.00461138   123.446  -21.3908      161.95   -32.5589     51.2592  -59.121       
1 1 1 15 9  13 o 0 2.70549  0.56184   0.304551      -0.0165853   0.00141583    0.00249763    27.7663  134.436       91.215   115.829      61.7148  106.298       
1 1 1 15 9  14 o 0 1.50171  0.639717  -0.106654     -0.121651    0.000375215   0.000889595   16.3237  -16.3185      12.9977  -85.3721     18.3596  -154.929      
1 1 1 15 10 0  o 0 4.84768  0.169323  -0.27238      3.33558e-017 0             0             18.5577  -180          62.9793  -180         44.4506  180           
1 1 1 15 10 1  o 0 19.7559  0.0818534 -0.262943     0.379223     0.171789      -0.193942     705.306  -179.943      940.33   173.87       256.438  156.781       
1 1 1 15 10 2  o 0 6.07257  0.0997905 0.534431      -1.5303      1.83372       0.452436      455.764  -30.0315      116.234  43.4587      427.003  134.84        
1 1 1 15 10 3  o 0 15.4863  0.695308  -6.08155      24.5145      5.92168       4.21823       598.164  59.9066       761.637  71.6376      207.879  108.059       
1 1 1 15 10 4  f 1 7.95152  0.626363  -20.9096      4.15837      -4.69559      2.36275       223.375  -131.171      505.371  178.529      401.533  153.278       
1 1 1 15 10 5  o 0 8.53285  0.107703  0.0109791     0.25317      0.0362295     0.0158229     269.713  99.8844       377.746  98.3797      105.199  94.4737       
1 1 1 15 10 6  o 0 13.2798  0.0950209 0.313349      -0.0758381   0.0456359     0.111759      565.747  22.279        564.13   21.3108      13.2737  -111.823      
1 1 1 15 10 7  f 1 5.90664  0.411198  3.62803       3.23901      0.0463367     -1.00044      50.227   -27.0577      405.777  34.7518      384.601  41.3632       
1 1 1 15 10 8  o 0 7.93259  0.294102  -1.81031      2.20018      0.441225      0.567248      354.512  179.33        358.744  170.659      54.1541  92.2785       
1 1 1 15 10 9  o 0 6.18115  0.203541  -0.246266     0.387695     -0.0566317    0.0746942     162.047  -79.5844      329.326  -86.0268     170.356  -92.1119      
1 1 1 15 10 10 o 0 2.65816  0.528602  -0.560828     -0.3064      -0.044643     -0.00972674   214.837  159.967       37.6728  -75.7259     236.286  -27.6005      
1 1 1 15 10 11 o 0 5.02392  0.654148  -0.404015     -0.523084    -0.00931619   -0.00644657   167.247  71.1147       259.783  74.8908      101.952  80.7754       
1 1 1 15 10 12 f 1 1.11074  0.776327  0.10894       0.0227042    0.000534709   0.00140548    61.8776  21.067        27.7709  -157.162     85.037   -158.355      
1 1 1 15 10 13 f 1 2.57171  0.902676  0.457509      0.221897     -0.0052239    0.00489877    55.4328  23.7874       158.37   24.61        96.5877  25.1363       
1 1 1 15 10 14 o 0 1.34369  0.635146  -0.368663     0.103471     0.000316658   -0.00331717   15.8029  67.8085       27.3986  155.839      32.0132  -170.99       
1 1 1 15 11 0  f 1 1.81659  0.361112  0.0233795     0            0             0             418.164  -180          41.3301  -180         372.753  1.10893e-015  
1 1 1 15 11 1  o 0 6.21666  0.906606  11.2058       -35.3742     7.89723       6.07178       314.378  -61.0592      210.316  -91.6032     171.279  157.552       
1 1 1 15 11 2  o 0 14.2605  0.390766  -4.23483      10.6039      2.69762       4.08682       497.928  92.2372       737.124  70.3268      332.785  36.4916       
1 1 1 15 11 3  o 0 11.6051  0.281535  -5.45555      1.83516      -1.12904      1.37147       495.337  62.6111       558.973  105.093      385.858  164.553       
1 1 1 15 11 4  o 0 6.54718  0.0980218 -0.436487     -0.574719    0.718347      -0.514168     63.7353  145.629       255.946  -176.526     209.672  -165.872      
1 1 1 15 11 5  o 0 5.22288  0.235512  0.739151      2.85473      0.780704      -0.625292     243.004  8.39522       182.606  65.7426      209.458  141.171       
1 1 1 15 11 6  f 1 10.6282  0.126256  -1.61655      2.32885      -0.865132     2.93386       277.384  89.5636       638.581  66.4768      403.598  51.2161       
1 1 1 15 11 7  o 0 1.88015  0.837961  0.440264      0.0935853    -0.0109476    -0.00566672   47.037   -72.2857      47.8     59.5916      86.3127  83.362        
1 1 1 15 11 8  o 0 6.98122  0.250169  0.522509      -0.0206844   -0.0387052    -0.0246667    236.706  -46.3983      356.853  -42.4772     128.784  -35.4755      
1 1 1 15 11 9  o 0 8.53455  0.16577   -0.727869     0.540501     0.0126095     -0.271501     288.236  137.657       459.173  138.183      179.663  139.002       
1 1 1 15 11 10 o 0 4.87719  0.372551  -0.259562     0.429785     -0.00620665   0.0153126     134.955  -153.941      222.437  -169.6       102.919  170.372       
1 1 1 15 11 11 o 0 2.90247  0.43678   -0.140978     0.0384258    0.00268336    0.000230245   57.7892  119.032       91.3644  126.2        38.8451  136.1         
1 1 1 15 11 12 o 0 0.342933 0.679785  -0.0852652    0.154104     -0.00110341   -0.00288475   98.2542  61.1748       106.132  -120.335     218.617  -119.558      
1 1 1 15 11 13 o 0 0.846859 0.788661  0.125753      -0.175678    0.00226438    -0.00140119   12.6346  5.46712       8.79331  -98.1295     18.1707  -146.475      
1 1 1 15 12 0  o 0 16.7212  0.115813  -0.826827     1.01254e-016 0             0             801.214  -1.02973e-014 716.784  0            62.7531  180           
1 1 1 15 12 1  f 1 15.3105  0.512995  -14.9726      -2.43348     -4.09409      -2.27475      480.074  -158.679      791.942  -169.837     352.265  175.533       
1 1 1 15 12 2  o 0 12.6139  0.0792423 -0.372953     -0.112312    0.32385       0.463253      476.765  -164.738      569.4    -161.016     111.812  -145.432      
1 1 1 15 12 3  o 0 15.8617  0.130273  1.53991       3.7688       7.74216       0.633258      742.78   -0.5445       629.085  12.3746      176.11   126.455       
1 1 1 15 12 4  o 0 3.56644  0.172982  -1.47538      0.75543      -0.602721     1.87064       135.032  -164.675      67.0064  -132.645     81.8481  -10.4085      
1 1 1 15 12 5  o 0 9.78115  0.101691  -0.541165     -0.105008    0.106531      -0.564283     399.431  -133.684      362.7    -144.06      71.5569  112.226       
1 1 1 15 12 6  o 0 7.24751  0.274616  -0.625104     1.95756      0.207207      0.232732      186.2    83.0309       344.588  95.3975      173.096  108.267       
1 1 1 15 12 7  f 1 9.766    0.112428  0.331181      -0.217663    -0.0532706    -0.137369     318.305  -58.9878      530.828  -57.653      235.268  -55.9751      
1 1 1 15 12 8  o 0 10.3365  0.163383  -0.418739     0.662175     0.107116      0.014533      335.765  132.657       561.745  132.954      244.824  133.337       
1 1 1 15 12 9  o 0 1.02716  0.668535  0.0468043     -0.107389    -0.000751218  0.00386558    59.5264  -4.69814      42.6596  -178.539     98.6616  177.961       
1 1 1 15 12 10 o 0 2.06956  0.953125  0.0418739     0.134119     0.001226      0.000354023   49.9575  39.3025       28.5636  52.1653      18.4865  -160.816      
1 1 1 15 12 11 o 0 2.41127  0.498379  0.143788      -0.334746    -0.0119193    0.00168385    131.362  -117.785      47.4363  -95.0963     76.6307  48.4011       
1 1 1 15 12 12 < 0 0        1.53262   0.136135      -0.0513889   9.58358e-005  -0.00312641   ?        ?             53.037   -139.523     ?        ?             
1 1 1 15 12 13 o 0 1.69853  0.807875  0.155584      0.181204     0.00156141    0.00046577    12.4593  172.287       18.0077  88.0024      21.3402  49.3896       
1 1 1 15 13 0  o 0 1.87083  0.408387  0.0572925     0            0             0             153.546  1.03256e-013  21.3755  0            122.485  -180          
1 1 1 15 13 1  o 0 24.9977  0.332012  2.43183       -10.4642     4.60254       6.75772       955.93   -136.257      1156.7   -135.066     259.44   -130.941      
1 1 1 15 13 2  o 0 17.367   0.0839749 1.02221       0.449484     0.58743       2.45483       682.967  -106.542      780.18   -123.298     248.323  -171.47       
1 1 1 15 13 3  o 0 12.1409  0.173774  1.69499       -0.170967    -0.623042     -0.179944     535.494  38.3675       451.986  35.8695      54.9643  -120.63       
1 1 1 15 13 4  o 0 2.96862  0.212838  0.0824039     0.182435     -0.0566932    -0.243127     132.195  -122.723      78.4486  57.3131      202.502  57.2911       
1 1 1 15 13 5  o 0 6.4289   0.343607  0.865435      4.46342      0.816425      -0.484641     383.337  97.4561       127.755  83.4218      237.718  -75.0555      
1 1 1 15 13 6  o 0 9.27885  0.125825  0.435498      0.0242231    -0.0231781    -0.0842181    374.992  -69.1014      349.007  -59.5589     58.3657  28.4584       
1 1 1 15 13 7  o 0 11.0351  0.115449  0.677443      0.666514     0.45576       0.314331      425.364  -149.462      528.987  -152.819     142.26   -162.039      
1 1 1 15 13 8  o 0 6.59584  0.198581  0.471778      -0.862937    -0.0950529    0.130231      230.086  -31.1602      309.009  -38.8601     104.33   -54.5412      
1 1 1 15 13 9  o 0 2.14028  0.485689  0.419291      0.150268     -0.0456975    0.0495904     83.7263  -46.5063      32.4831  50.1873      86.4864  111.591       
1 1 1 15 13 10 o 0 2.86361  0.438426  -0.27941      0.288808     -0.0176258    -0.0125284    178.171  155.124       55.5792  145.993      101.492  -19.8915      
1 1 1 15 13 11 o 0 2.51034  0.486387  -0.137639     0.163503     0.00122034    -0.00391967   72.0217  71.4293       62.179   86.0259      15.865   170.427       
1 1 1 15 13 12 o 0 2.32846  0.560445  -0.481058     -0.498062    -0.0100947    0.0171083     69.8839  154.012       117.955  178.203      59.1087  -151.128      
1 1 1 15 13 13 o 0 0.472227 0.712287  0.0368138     -0.111951    0.000140582   -0.000598665  38.1296  -159.32       33.4741  15.837       73.0019  18.4612       
1 1 1 15 14 0  o 0 9.66437  0.137712  -0.296559     3.63168e-017 0             0             124.565  180           324.029  180          212.189  -180          
1 1 1 15 14 1  f 1 3.17143  0.225225  0.239287      0.243373     -0.200148     -0.268724     369.166  72.7074       148.103  -112.093     476.047  -108.785      
1 1 1 15 14 2  o 0 7.69119  0.28123   -1.79624      2.46991      0.292914      0.558413      379.445  89.5456       226.003  112.343      161.098  -123.382      
1 1 1 15 14 3  o 0 9.07198  0.252636  5.08424       -8.95376     5.5164        5.72077       346.652  2.5187        399.264  4.925        86.3928  13.7071       
1 1 1 15 14 4  o 0 5.14723  0.271897  -1.74095      -1.42339     -0.142314     -0.378778     50.025   131.713       266.529  -143.716     266.096  -133.949      
1 1 1 15 14 5  o 0 3.72285  0.196459  0.200787      -1.17045     0.525732      0.686553      237.023  -164.67       98.1845  -71.8548     240.57   -8.72646      
1 1 1 15 14 6  o 0 6.94668  0.143961  0.195883      0.316214     0.11309       0.185843      323.16   -130.687      255.93   -134.437     34.5465  78.2996       
1 1 1 15 14 7  o 0 10.7929  0.116277  0.0683505     -1.51776     -0.637018     0.461025      456.337  -20.4102      463.496  -29.3916     90.6969  -73.3306      
1 1 1 15 14 8  o 0 2.32367  0.357296  -0.114148     0.186496     -0.0377037    0.013128      137.436  41.3087       23.5716  168.807      136.899  -146.543      
1 1 1 15 14 9  o 0 7.98788  0.180856  -0.430662     -0.867643    0.00352261    0.0585128     267.067  -161.509      409.474  -157.399     184.6    -152.361      
1 1 1 15 14 10 o 0 0.473898 0.68372   0.417556      -0.0382519   0.0018985     0.034058      106.998  -19.5056      76.2863  158.941      166.479  159.783       
1 1 1 15 14 11 o 0 1.16407  0.731856  0.1709        -0.178511    -0.00536643   0.00104843    19.1751  65.7581       20.705   -74.0373     38.2583  -93.7944      
1 1 1 15 14 12 o 0 0.561209 0.758095  0.348257      -0.180034    -0.0068976    -0.00796225   53.3736  -90.3211      39.1116  75.9289      92.5054  83.9113       
1 1 1 15 15 0  o 0 7.79743  0.2243    0.0967163     0            0             0             156.437  7.09553e-014  153.414  0            19.4726  -4.88062e-013 
1 1 1 15 15 1  o 0 9.23038  0.14924   -0.543711     -0.313912    0             0             379.172  -150          350.427  -150         22.9619  -150          
1 1 1 15 15 2  o 0 2.16795  0.369594  0.0120642     0.0208958    0             0             37.9472  60            7.3678   60           25.5664  -120          
1 1 1 15 15 3  o 0 7.66159  0.16604   5.91223e-017  0.193114     0             0             313.503  -90           274.9    -90          2.11384  -90           
1 1 1 15 15 4  o 0 1.58114  0.505882  -0.0137986    0.0238998    0             0             33.3899  120           4.19886  120          24.8888  -60           
1 1 1 15 15 5  o 0 11.9415  0.148867  -0.116253     0.0671189    0             0             78.5042  -30           448.028  -30          381.319  -30           
1 1 1 15 15 6  o 0 6.55744  0.206868  -0.234298     2.86923e-017 0             0             455.623  -2.84744e-015 259.631  0            127.448  180           
1 1 1 15 15 7  f 1 7.30753  0.219125  0.656577      0.379075     0             0             474.874  30            289.067  30           107.852  -150          
1 1 1 15 15 8  o 0 4        0.354634  -0.205061     -0.355177    0             0             29.5133  60            25.9549  -120         50.9566  -120          
1 1 1 15 15 9  o 0 5.59464  0.328665  1.98906e-016  0.649696     0             0             170.196  -90           218.719  -90          80.4606  -90           
1 1 1 15 15 10 o 0 0        2.02485   -0.0469479    0.0813162    0             0             24.1537  -60           0        0            19.5162  120           
1 1 1 15 15 11 o 0 5.0892   0.424794  -0.259313     0.149715     0             0             219.796  -30           246.63   -30          31.2948  -30           
1 1 1 15 15 12 o 0 0        2.12132   -0.128983     1.57953e-017 0             0             18.3099  180           0        0            17.7427  -5.19541e-015 
1 1 1 16 0  0  o 0 7.86766  0.13125   -0.112908     1.38268e-017 0             0             239.355  2.52443e-013  80.0947  0            148.653  -180          
1 1 1 16 0  1  o 0 25.9577  0.11888   -0.508018     -0.879913    0             0             962.726  -120          1047.03  -120         158.766  -120          
1 1 1 16 0  2  o 0 21.2156  0.110194  -0.540363     0.935936     0             0             1009     120           831.363  120          73.0622  -60           
1 1 1 16 0  3  o 0 27.9374  0.135361  0.915157      0            0             0             1239.34  -5.22979e-015 1072.38  0            15.7947  180           
1 1 1 16 0  4  o 0 0        0.948683  0.00374002    0.0064779    0             0             76.9604  60            0        0            66.6911  -120          
1 1 1 16 0  5  o 0 13.1529  0.116802  -0.213259     0.369376     0             0             327.855  -60           538.106  -60          173.898  -60           
1 1 1 16 0  6  o 0 1.76068  0.368669  0.0262022     0            0             0             200.06   -180          9.23607  -180         211.748  9.10705e-016  
1 1 1 16 0  7  f 1 6.58787  0.162896  0.098581      0.170747     0             0             474.093  60            278.417  60           234.131  -120          
1 1 1 16 0  8  o 0 2.48998  0.39428   0.041541      -0.0719511   0             0             210.288  -60           56.8418  -60          180.275  120           
1 1 1 16 0  9  o 0 3.82099  0.324549  -0.173029     2.11892e-017 0             0             139.363  -5.05909e-015 45.449   0            109.597  180           
1 1 1 16 0  10 o 0 1.87083  0.616145  0.0306341     0.0530599    0             0             139.344  -120          12.9209  -120         139.136  60            
1 1 1 16 0  11 o 0 3.79473  0.466157  0.00861667    -0.0149245   0             0             14.7034  120           17.9458  120          2.70592  120           
1 1 1 16 0  12 f 1 3.28634  0.607245  -0.0154392    1.8907e-018  0             0             72.1879  -9.46533e-015 66.9959  0            4.23588  180           
1 1 1 16 0  13 o 0 2.12132  0.795474  0.0233907     0.0405139    0             0             42.5652  60            34.4973  60           4.85746  -120          
1 1 1 16 0  14 o 0 3.53553  0.657701  -0.11982      0.207534     0             0             197.822  -60           184.484  -60          32.5799  120           
1 1 1 16 0  15 o 0 1.84391  0.901967  -0.3679       4.50532e-017 0             0             27.8446  1.94257e-014  0.431272 180          28.633   -180          
1 1 1 16 1  0  o 0 25.9808  0.118775  1.16343       0            0             0             609.054  -3.4101e-014  1042.82  0            483.631  3.94288e-014  
1 1 1 16 1  1  o 0 25.8822  1.52138   28.884        24.4893      -2.3744       -8.38217      851.438  56.3342       1217.85  55.6467      460.521  54.5157       
1 1 1 16 1  2  o 0 14.3898  0.661292  -7.56007      -1.21587     -1.7127       -0.310236     523.319  -119.965      610.991  -146.45      287.853  168.848       
1 1 1 16 1  3  o 0 14.6637  0.421211  -11.1576      7.67489      -2.55598      4.49494       465.14   93.0783       666.098  102.863      283.208  116.638       
1 1 1 16 1  4  o 0 6.50162  0.734884  33.5732       3.59955      -8.70191      -2.25999      721.291  -45.2407      368.877  88.9814      1077.84  120.562       
1 1 1 16 1  5  o 0 10.94    1.73222   1e-030        0            0             0             476.228  130.48        380.37   130.48       137.463  -49.5203      
1 1 1 16 1  6  o 0 9.69444  0.519074  -17.5391      -12.3839     -1.47297      -5.87619      457.265  -85.6762      526.937  -154.922     581.928  152.183       
1 1 1 16 1  7  f 1 4.37625  0.621589  6.09175       14.2309      3.26319       -3.02853      135.724  177.041       396.93   55.7436      487.269  41.1531       
1 1 1 16 1  8  o 0 5.93336  0.228048  0.504125      3.01079      0.789141      -0.495549     226.712  13.0488       277.602  63.1335      225.807  122.5         
1 1 1 16 1  9  o 0 3.79528  0.257556  -0.0270464    -0.0316329   0.00970002    0.00243       272.098  54.0361       72.6568  -125.522     374.005  -125.878      
1 1 1 16 1  10 o 0 2.86102  0.349444  0.00446935    0.0972521    0.00246087    -0.00188269   162.646  115.401       73.3742  -60.175      250.747  -63.3056      
1 1 1 16 1  11 o 0 0.837894 0.653718  0.0812048     0.0130587    0.0165394     0.0122024     104.081  -97.0967      95.0524  81.0467      203.462  82.0361       
1 1 1 16 1  12 o 0 2.61876  0.481511  -0.598557     -0.493929    -0.129755     0.0412328     141.494  122.907       65.5853  -140.158     164.572  -80.3968      
1 1 1 16 1  13 o 0 5.96146  0.288758  1.58885       -0.213305    0.0311142     -0.102238     260.973  -60.7623      278.402  -48.7717     63.9793  3.92886       
1 1 1 16 1  14 o 0 1.69935  0.672536  0.236965      0.210537     0.00226714    0.00424365    74.9701  68.3535       16.4074  24.6077      72.9706  -102.702      
1 1 1 16 1  15 < 0 0        1.65804   -0.254829     0.0840797    0.00108244    -0.00221015   ?        ?             75.0721  -100.317     ?        ?             
1 1 1 16 2  0  o 0 28.1496  0.12379   0.29902       0            0             0             1057.72  -1.78737e-015 1094.76  0            153.818  1.09337e-014  
1 1 1 16 2  1  o 0 18.9895  0.752838  -22.1782      9.36853      -7.57175      10.8008       892.865  -138.583      655.768  -147.898     164.059  81.7333       
1 1 1 16 2  2  o 0 11.6725  0.0659795 -1.57073      1.03919      4.50099       -27.4718      333.461  149.848       583.598  135.3        318.489  122.442       
1 1 1 16 2  3  o 0 20.4029  0.286765  -0.525574     12.8053      9.97366       4.68112       732.791  34.0433       865.285  27.0199      269.137  10.8946       
1 1 1 16 2  4  o 0 12.6496  0.0826414 0.822643      1.03629      2.94699       -0.225057     424.276  19.8495       705.142  -0.0967458   318.418  -29.2157      
1 1 1 16 2  5  o 0 9.28314  0.337375  -5.31126      -7.77036     1.47249       -2.65549      500.478  -131.901      249.048  -152.719     314.766  64.4305       
1 1 1 16 2  6  o 0 4.50036  0.272516  2.00164       4.26628      1.68773       -1.56371      237.839  81.1762       84.9555  -9.38042     268.982  -80.4132      
1 1 1 16 2  7  o 0 7.33955  0.347653  -3.95123      -0.86606     -0.646684     -0.432223     523.326  135.582       179.019  -159.502     530.07   -62.2294      
1 1 1 16 2  8  o 0 5.60327  0.30949   -4.08055      -3.32057     -0.659347     -1.78295      276.629  -118.315      163.089  -114.379     144.228  57.2327       
1 1 1 16 2  9  o 0 4.97649  0.199183  -0.179165     -0.740887    0.238186      0.00670554    187.904  -156.31       147.929  -128.064     103.915  -18.6625      
1 1 1 16 2  10 o 0 0.342536 0.601123  0.363372      -0.0697739   -0.0488351    0.0493762     152.841  44.9898       162.081  -133.348     328.734  -134.191      
1 1 1 16 2  11 o 0 5.58613  0.243392  -0.395325     0.102348     -0.0499795    -0.0408926    71.8644  151.836       310.128  153.192      235.028  153.626       
1 1 1 16 2  12 o 0 1.93587  0.5942    -0.0588286    0.206555     -0.0032246    -0.0159016    100.013  146.654       24.9212  -4.94773     124.526  -27.8839      
1 1 1 16 2  13 o 0 3.68864  0.432621  -0.206702     -0.0650439   6.44945e-005  0.00183254    56.6745  48.2536       136.883  54.7325      83.5793  58.9031       
1 1 1 16 2  14 o 0 2.23855  1.04861   0.266842      0.177243     -0.00388005   0.00109663    30.9798  -134.317      13.5856  8.11815      46.7932  35.4879       
1 1 1 16 2  15 f 1 3.00888  0.744987  0.0123031     0.401896     -0.00018337   -0.00178091   38.7296  93.3794       181.271  92.1871      140.8    91.8444       
1 1 1 16 3  0  f 1 8.20366  0.0904205 0.607033      0            0             0             109.765  5.87209e-014  229.752  0            136.009  -4.04729e-014 
1 1 1 16 3  1  o 0 23.336   0.539757  26.4225       21.105       -6.12729      -14.6311      971.241  106.205       916.153  87.0364      304      24.4989       
1 1 1 16 3  2  o 0 4.1657   0.72307   -27.1243      17.5687      -3.49121      8.32952       275.758  -172.028      133.876  101.261      258.364  39.1245       
1 1 1 16 3  3  o 0 16.1964  0.473138  -12.7488      16.5821      0.972776      8.6666        674.949  95.9371       784.632  72.5307      311.738  6.87662       
1 1 1 16 3  4  o 0 9.47389  0.0846733 0.138023      -0.475473    0.32446       -0.0834276    270.036  -101.763      325.191  -90.8324     70.7763  -41.1587      
1 1 1 16 3  5  f 1 3.03516  0.159772  1.09876       -1.53412     -1.251        7.28671       223.952  -120.028      34.1472  90.7927      262.265  63.7972       
1 1 1 16 3  6  o 0 13.0871  0.913683  -33.6139      -25.5034     -2.18009      -11.6207      605.286  179.25        553.641  -161.771     214.079  -58.0022      
1 1 1 16 3  7  o 0 13.5193  0.250933  2.21719       2.35567      0.408181      -0.819764     666.595  -8.16538      544.453  2.22923      219.457  145.243       
1 1 1 16 3  8  o 0 7.16457  0.138443  0.189854      1.40058      0.42645       -0.308563     368.403  51.0789       203.169  60.9897      207.708  -138.613      
1 1 1 16 3  9  o 0 6.36813  0.171724  0.20692       -0.181984    0.275898      -0.245454     169.8    23.0372       255.374  -4.5432      124.879  -48.1905      
1 1 1 16 3  10 o 0 4.92727  0.248693  -0.0534532    -0.113859    0.00372875    -0.000770834  204.194  -133.178      209.055  -132.252     8.37354  23.0387       
1 1 1 16 3  11 o 0 2.23637  1.01476   0.117625      0.592637     0.0205256     -0.0194911    143.843  121.289       31.9732  15.6017      162.198  -47.7711      
1 1 1 16 3  12 o 0 2.091    0.99715   -0.73681      -0.0737452   -0.0349835    0.0108438     13.9238  -2.18395      72.5566  -174.161     86.723   -175.478      
1 1 1 16 3  13 f 1 4.55301  0.408234  0.364181      -0.941935    -0.033089     0.0171329     189.665  -8.76254      213.923  -22.3393     57.841   -69.0131      
1 1 1 16 3  14 o 0 2.49235  0.584577  0.346566      0.0109155    0.00159731    0.00320278    55.6376  -30.6503      142.696  -23.7422     80.5842  -18.3531      
1 1 1 16 3  15 o 0 2.30356  1.07298   -0.0977588    0.0634958    -0.000310012  -7.97317e-005 43.907   151.079       102.244  150.617      54.7739  150.217       
1 1 1 16 4  0  o 0 7.36885  0.100402  -0.0697574    8.54253e-018 0             0             201.413  8.33253e-014  126.42   0            44.5684  -180          
1 1 1 16 4  1  f 1 8.14869  0.434453  -19.799       16.9191      -1.15001      14.0622       445.517  -167.245      287.548  -151.191     210.145  -9.48008      
1 1 1 16 4  2  o 0 12.1775  0.925402  -24.011       -41.2151     5.65897       -8.84011      481.755  -145.716      606.563  -120.258     263.677  -64.2911      
1 1 1 16 4  3  o 0 17.0314  0.12428   3.26059       -4.81256     4.09857       3.46649       425.084  -130.206      1072.59  -142.377     645.476  -150.714      
1 1 1 16 4  4  o 0 2.31589  0.53002   2.8999        10.0477      3.40576       -1.89486      226.112  -114.366      381.363  66.1842      616.528  65.9745       
1 1 1 16 4  5  o 0 13.9825  0.179703  -1.06419      -0.458189    -0.0607       -0.306959     649.705  167.128       515.466  170.155      163.786  -22.4358      
1 1 1 16 4  6  f 1 8.49644  0.214631  -5.3434       0.623927     -2.68014      1.34072       204.334  -165.932      486.061  -138.124     316.891  -120.243      
1 1 1 16 4  7  o 0 13.5202  0.510409  -14.4652      -0.280536    -3.79067      -0.858958     702.124  156.712       500.138  155.057      263.661  -20.1475      
1 1 1 16 4  8  o 0 7.14565  0.13542   -0.812353     -1.44298     -0.715748     -2.81231      264.374  -78.9544      383.535  -53.6501     174.079  -8.61246      
1 1 1 16 4  9  o 0 11.1126  0.123961  -0.0353044    -0.312823    -0.0302382    -0.11447      550.79   167.507       410.353  169.18       190.395  -16.099       
1 1 1 16 4  10 o 0 8.94444  0.239819  -0.699548     0.690777     -0.0858282    0.0945209     275.436  -155.37       548.533  -161.176     260.447  -167.671      
1 1 1 16 4  11 o 0 3.86611  0.333747  0.137347      0.0339627    0.00585373    0.0109567     195.039  -58.1512      105.708  -50.9185     100.112  114.209       
1 1 1 16 4  12 o 0 4.73609  0.500443  -0.613945     -0.007905    -0.00472196   -0.015508     238.168  69.228        190.834  78.6368      56.811   -144.08       
1 1 1 16 4  13 o 0 1.17965  0.726258  0.0219227     -0.0130938   0.000193069   3.05767e-005  72.6086  -178.478      37.8752  0.430439     108.009  1.13931       
1 1 1 16 4  14 o 0 2.74605  0.60271   0.193346      -0.0120186   0.000553886   0.000977722   73.4379  138.113       160.043  134.251      76.5065  130.013       
1 1 1 16 4  15 < 1 0        1.53314   0.298426      0.346634     -0.00192597   0.00597079    ?        ?             45.1397  -66.9025     ?        ?             
1 1 1 16 5  0  o 0 10.8582  0.0958514 0.677482      0            0             0             420.041  -3.1853e-014  503.049  0            50.9453  2.82673e-013  
1 1 1 16 5  1  o 0 5.23825  0.341788  2.78667       5.17245      0.583304      -1.04287      205.873  44.442        209.077  75.2725      113.665  153.932       
1 1 1 16 5  2  o 0 9.27737  0.257053  -4.86407      4.63321      0.209128      2.27221       496.203  107.286       238.949  136.566      329.468  -93.489       
1 1 1 16 5  3  o 0 7.54073  0.227851  1.33842       -2.13379     0.223328      0.335966      212.12   -16.8363      356.098  -53.0769     221.35   -88.8365      
1 1 1 16 5  4  o 0 13.6221  0.285987  -3.85937      9.42544      2.65694       4.16938       423.181  88.1371       768.395  57.842       449.889  28.6416       
1 1 1 16 5  5  o 0 6.88042  0.709629  -23.2369      2.71333      -5.85547      1.77075       223.36   166.635       338.079  -173.658     144.223  -141.137      
1 1 1 16 5  6  o 0 8.52338  0.70372   -19.6868      -21.0444     1.30307       -8.77365      506.319  172.189       299.772  -143.837     387.275  -40.3215      
1 1 1 16 5  7  o 0 14.7906  0.168068  -0.124012     -1.61149     0.302445      -0.223567     566.706  -83.2158      741.815  -81.7017     133.047  -74.7439      
1 1 1 16 5  8  f 1 10.8082  0.455877  -4.60328      2.67832      -0.467946     0.567094      547.877  144.914       402.561  145.121      180.394  -35.5479      
1 1 1 16 5  9  o 0 7.08793  0.162543  -0.592773     0.210085     0.0324152     0.200461      280.128  -132.18       285.123  -151.654     101.025  118.021       
1 1 1 16 5  10 o 0 7.86474  0.177225  -0.0375321    0.317276     0.0153813     -0.0180877    294.551  -37.6999      419.345  -35.108      110.751  -27.8408      
1 1 1 16 5  11 o 0 5.64494  0.25807   -0.206895     0.255313     -0.020508     -0.00768598   288.642  10.2979       204.527  16.5608      100.356  177.452       
1 1 1 16 5  12 o 0 2.62736  0.502794  0.0491114     -0.418188    -0.0259222    0.000397099   35.7991  -141.998      79.7505  -110.275     52.9949  -89.6914      
1 1 1 16 5  13 o 0 3.48922  1.41359   0.488072      -0.391081    -0.0095858    0.0036295     70.0465  106.726       118.011  82.4276      62.7088  55.9771       
1 1 1 16 5  14 o 0 2.90856  1.33623   0.142885      0.231569     0.00176563    -0.000113808  42.269   49.1134       182.868  50.6326      134.248  51.183        
1 1 1 16 6  0  o 0 4.64758  0.14596   0.0978074     0            0             0             97.7399  180           16.4231  180          86.8779  -1.57383e-015 
1 1 1 16 6  1  o 0 13.6724  0.291109  -1.90848      2.71982      0.22044       0.362202      450.694  120.091       679.344  124.5        214.871  134.157       
1 1 1 16 6  2  o 0 15.0036  0.442071  -9.75225      -23.2119     10.2022       -7.64462      590.51   -168.511      726.213  -169.654     120.221  -175.429      
1 1 1 16 6  3  o 0 5.69404  0.368979  15.549        4.51596      -5.94015      -3.20877      311.373  -54.4709      247.796  43.8094      429.938  90.7548       
1 1 1 16 6  4  o 0 20.5863  0.501659  4.87483       9.03165      2.17111       -1.89751      742.901  111.576       1029.01  95.1595      371.8    60.1139       
1 1 1 16 6  5  o 0 6.86913  0.363564  2.75595       0.0499964    -0.301449     0.0276647     314.278  -38.8555      254.74   -5.58659     174.54   87.9541       
1 1 1 16 6  6  o 0 6.04597  0.627902  14.2497       -6.91429     -2.4969       2.73869       271.43   -14.5737      242.451  -37.8389     115.679  -138.695      
1 1 1 16 6  7  o 0 7.71282  0.239579  3.60268       -0.0191376   -1.17947      0.288084      237.81   -2.03147      362.968  8.85608      123.846  31.5811       
1 1 1 16 6  8  o 0 2.34872  0.33675   -0.160165     -0.571747    0.180289      -0.342706     169.141  92.8722       172.304  -94.9601     352.431  -90.9479      
1 1 1 16 6  9  o 0 5.31302  0.441117  -1.24604      2.03361      0.219054      0.226921      193.52   115.153       212.304  125.394      37.7718  -157.036      
1 1 1 16 6  10 o 0 8.93929  0.156838  0.290298      1.02052      -0.0595054    -0.271594     344.335  113.39        479.842  110.499      122.199  101.968       
1 1 1 16 6  11 < 0 0        1.39596   0.0809701     0.0643951    0.00123378    0.0178122     ?        ?             190.536  28.6497      ?        ?             
1 1 1 16 6  12 o 0 4.88193  0.385399  -0.101912     0.613719     0.00351754    -0.021233     71.6149  -26.3172      276.974  -10.7811     209.758  -5.60495      
1 1 1 16 6  13 o 0 4.31951  0.373315  0.101008      -0.519763    -0.00748051   0.00187936    167.277  -86.8361      258.429  -85.655      56.3912  -81.4158      
1 1 1 16 6  14 < 0 0        1.50483   0.321538      -0.0810925   0.00693433    -0.000822801  ?        ?             33.275   145.974      ?        ?             
1 1 1 16 7  0  o 0 14.6253  0.105221  1.36812       0            0             0             619.449  -1.78248e-014 663.138  0            20.5931  5.56168e-013  
1 1 1 16 7  1  o 0 6.75971  0.121041  -3.41085      -4.825       0.846743      -7.55048      411.992  -39.1208      203.993  -80.7252     301.6    167.565       
1 1 1 16 7  2  o 0 5.13221  0.115722  -4.09058      5.2017       4.92398       10.194        346.296  173.132       205.119  -102.074     390.196  -38.4357      
1 1 1 16 7  3  o 0 5.4185   0.098783  0.0687941     0.0243612    -0.0382163    0.0273895     487.034  141.469       162.424  -33.208      652.467  -37.2074      
1 1 1 16 7  4  o 0 12.9924  0.175596  -1.75222      2.32405      -0.405529     1.85975       766.32   104.225       364.801  81.1673      451.783  -57.3388      
1 1 1 16 7  5  o 0 15.462   1.02816   24.2095       -2.91159     -2.78509      0.407343      505.539  38.3537       943.769  -0.860234    630.538  -32.7813      
1 1 1 16 7  6  o 0 3.26245  0.243299  1.73448       1.20797      -0.395479     -0.705627     141.638  92.1957       103.41   18.8368      154.641  -47.96        
1 1 1 16 7  7  o 0 9.347    0.113642  0.41834       0.0207346    0.802417      -0.336544     403.02   144.759       388.658  156.896      92.9413  -96.7857      
1 1 1 16 7  8  o 0 4.35074  0.458164  -0.0859645    1.36297      0.0865871     0.0253972     260.144  9.34816       168.387  106.042      338.88   159.777       
1 1 1 16 7  9  o 0 5.84722  0.438103  0.711689      -0.00163125  -0.0261858    -0.0089889    315.743  -67.5995      203.326  -55.7022     134.216  94.2019       
1 1 1 16 7  10 o 0 3.96016  0.303351  -0.57405      -0.152644    -0.046529     0.0150901     160.877  -14.1143      109.379  -35.0326     75.0515  -162.759      
1 1 1 16 7  11 o 0 3.21681  0.38532   0.289389      0.463324     -0.0350952    0.0943606     109.29   62.1912       108.363  58.8838      7.5507   -61.9183      
1 1 1 16 7  12 o 0 2.19269  1.01163   0.265266      -0.0931393   -0.00520429   -0.000963412  123.319  162.642       13.3793  164.951      107.482  -17.6449      
1 1 1 16 7  13 o 0 1.99056  0.613527  0.155223      -0.282578    -0.002918     -0.00363958   57.2248  51.4787       33.1842  -23.6151     68.34    -100.537      
1 1 1 16 7  14 < 0 0        1.53691   0.134668      -0.0855455   0.000320628   -0.00117846   ?        ?             72.8781  -170.709     ?        ?             
1 1 1 16 8  0  o 0 2.84605  0.242044  0.136153      0            0             0             295.422  180           23.3415  180          276.924  -1.42183e-014 
1 1 1 16 8  1  o 0 6.35643  0.247121  -2.56173      2.57078      -0.232823     1.52535       315.236  51.7493       271.45   125.861      356.731  -175.294      
1 1 1 16 8  2  o 0 1.23071  0.561234  0.0227034     -1.65088     0.663083      0.0798949     142.266  -62.4408      95.2401  131.932      235.536  123.32        
1 1 1 16 8  3  o 0 7.04277  0.337865  3.52569       3.95946      -0.00215241   -1.32226      233.4    -10.0737      349.715  34.555       246.394  75.5572       
1 1 1 16 8  4  o 0 13.1744  0.109505  0.539186      3.09348      4.7716        2.70222       640.859  64.3242       641.194  12.9635      563.561  -52.9665      
1 1 1 16 8  5  o 0 4.56531  0.188821  -0.706988     0.527449     -0.0147556    0.12895       322.831  -117.747      118.933  135.125      384.572  79.4434       
1 1 1 16 8  6  o 0 12.9848  0.353546  -4.62514      2.74199      -0.317027     1.04193       596.791  146.146       522.772  150.525      103.51   -56.5357      
1 1 1 16 8  7  o 0 9.75726  0.134915  1.18457       1.26521      -0.252236     -0.592641     391.584  69.5399       421.056  74.5039      38.633   140.117       
1 1 1 16 8  8  o 0 5.09944  0.217349  -0.0278495    -0.071059    -0.0181199    -0.00490205   141.668  -52.087       91.722   -61.4778     59.2036  142.556       
1 1 1 16 8  9  o 0 3.7055   0.299099  0.2623        -0.338916    -0.100323     0.0849603     176.323  11.3687       101.364  -3.44432     85.8635  -151.064      
1 1 1 16 8  10 o 0 4.23668  0.298012  -0.151698     0.266405     -0.0441176    0.0012974     160.124  -29.7542      145.564  -24.0047     23.571   112.028       
1 1 1 16 8  11 o 0 4.69289  0.316301  -0.412818     0.213859     0.0168348     -0.00704501   151.149  -116.572      252.514  -124.914     108.402  -136.325      
1 1 1 16 8  12 < 0 0        1.50603   -0.0519646    0.266023     -0.00730621   -0.0212297    ?        ?             28.2373  -156.785     ?        ?             
1 1 1 16 8  13 o 0 1.49954  0.769103  -0.344471     -0.530871    0.0161438     0.013158      45.8865  45.6786       25.646   -109.463     77.6487  -126.341      
1 1 1 16 8  14 o 0 0.831788 0.723042  -0.000746144  -0.197802    -0.000825711  -0.00108723   44.1309  93.7464       35.5569  -87.2894     86.0934  -86.6813      
1 1 1 16 9  0  o 0 15.7194  0.113683  0.304403      0            0             0             422.306  -180          667.529  -180         248.003  180           
1 1 1 16 9  1  o 0 7.57105  0.153764  2.10239       1.46819      -0.0787794    -1.91741      369.949  -33.335       262.262  -21.4698     118.706  119.648       
1 1 1 16 9  2  o 0 18.4494  0.825655  14.4027       -32.9617     6.47493       9.2024        841.814  -64.1999      738.904  -80.3029     232.578  177.587       
1 1 1 16 9  3  o 0 7.45409  0.0910476 -0.217199     0.197466     0.321249      0.0957866     390.241  -167.35       210.29   -176.4       190.635  22.6429       
1 1 1 16 9  4  o 0 16.4679  0.634687  8.33071       -9.19357     0.411026      1.6008        563.736  -23.3013      870.42   -34.0741     327.714  -53.0669      
1 1 1 16 9  5  o 0 8.08407  0.101167  0.0974612     -0.134155    0.152134      -0.109588     282.563  -12.4526      341.786  -16.3622     59.3112  -35.5882      
1 1 1 16 9  6  o 0 11.5131  0.223827  0.172422      2.71111      0.576385      -0.277971     522.874  41.1167       453.604  51.4108      117.9    177.682       
1 1 1 16 9  7  o 0 9.0042   0.125452  0.92192       0.920144     -0.748155     -0.706586     338.768  108.574       419.7    96.8174      107.263  55.7053       
1 1 1 16 9  8  o 0 8.82979  0.235042  -0.174336     -0.0489887   -0.00322455   -0.00477654   413.346  97.0686       382.179  98.5385      32.9803  -100.225      
1 1 1 16 9  9  o 0 4.70311  0.246368  0.508117      0.413488     0.0809093     -0.0629301    220.727  90.3299       168.029  77.8328      67.9513  -57.3204      
1 1 1 16 9  10 o 0 2.85021  0.45097   0.66751       0.260544     -0.00365272   -0.0583651    92.5234  32.6778       81.8445  21.4454      20.3111  -95.61        
1 1 1 16 9  11 o 0 6.7719   0.225702  0.899567      0.718899     -0.0118268    0.0813686     277.525  -39.6018      342.793  -31.2662     87.4669  -4.97971      
1 1 1 16 9  12 o 0 2.47956  0.493735  0.268678      0.0927754    0.00474162    0.00209957    73.9651  -61.3662      64.9059  -37.5107     28.5902  51.9768       
1 1 1 16 9  13 o 0 0.899088 0.777848  0.161064      -0.0410442   0.000493336   0.00120423    70.1447  156.644       45.8596  -21.8059     126.762  -22.7955      
1 1 1 16 9  14 o 0 2.35302  0.992652  -0.0653555    -0.00414869  5.87109e-005  -1.49289e-005 59.8721  -159.91       118.546  -160.724     50.7499  -161.813      
1 1 1 16 10 0  o 0 5.54977  0.16613   0.231201      0            0             0             183.357  1.79424e-014  190.267  0            6.38298  -5.16895e-013 
1 1 1 16 10 1  o 0 14.7408  0.18858   4.38009       -0.160314    -1.94318      0.976157      433.998  -7.18795      788.242  6.1661       379.512  21.479        
1 1 1 16 10 2  o 0 8.41636  0.0890991 0.290402      0.203876     -0.426039     0.0347307     298.216  -173.856      293.947  -175.114     7.22896  69.3632       
1 1 1 16 10 3  o 0 7.63795  0.171722  -1.18575      1.83965      0.451331      0.550031      330.295  -148.483      330.25   168.541      241.247  100.455       
1 1 1 16 10 4  f 1 15.7652  0.517116  6.29953       -11.2792     2.22611       2.50682       584.637  -19.5719      781.791  -28.9862     236.72   -52.2699      
1 1 1 16 10 5  o 0 16.0818  0.0927681 1.44213       -0.399395    2.22267       -3.74558      659.938  -20.0127      736.63   -28.3281     128.637  -75.9235      
1 1 1 16 10 6  o 0 16.5492  0.20718   2.02082       -3.6548      -0.0535092    2.38608       709.903  -117.304      721.747  -113.53      48.8645  -40.8225      
1 1 1 16 10 7  f 1 1.78048  0.394631  -0.0673809    -0.0846983   0.0301813     -0.0124027    61.5728  -18.7049      50.7575  170.145      111.203  165.322       
1 1 1 16 10 8  o 0 4.1779   0.415522  0.698429      -0.428144    -0.00551143   0.0529611     78.7572  -41.6849      196.071  -36.0937     119.418  -32.4798      
1 1 1 16 10 9  o 0 0.7781   0.672947  -0.223616     -0.195197    -0.0504973    -0.0192481    75.2414  -39.9111      67.6179  148.956      141.191  144.322       
1 1 1 16 10 10 o 0 3.18246  0.448941  -0.0669139    0.312241     0.00867376    -0.00495453   96.6137  -29.7008      51.1893  7.04257      62.1026  120.754       
1 1 1 16 10 11 o 0 1.552    0.752828  -0.159205     0.0650072    0.00134673    0.00214177    21.6496  -87.5805      13.622   146.54       30.4889  113.643       
1 1 1 16 10 12 o 0 2.38443  1.09808   -0.168647     -0.35781     0.00692121    0.000407519   56.5437  91.5906       28.0039  146.659      55.1485  -113.011      
1 1 1 16 10 13 o 0 2.35266  1.08941   -0.711261     0.0522617    -0.0037977    0.0160212     24.9714  143.039       128.244  161.712      101.842  166.816       
1 1 1 16 11 0  o 0 11.5931  0.119523  0.0512196     0            0             0             419.896  -180          496.624  -180         87.9485  180           
1 1 1 16 11 1  o 0 3.1606   0.583272  7.60004       3.85225      -1.08082      -1.65815      82.4005  10.3877       153.944  28.7811      81.8441  46.7945       
1 1 1 16 11 2  o 0 9.27101  0.346621  5.84862       -7.96931     0.562234      4.1643        351.926  -6.44777      391.237  -10.8702     56.6005  -38.6559      
1 1 1 16 11 3  o 0 6.68099  0.559254  -3.83946      -11.475      2.65603       -1.69071      327.68   -152.819      248.474  -112.924     204.22   -24.1126      
1 1 1 16 11 4  o 0 7.0566   0.105705  0.08949       0.033089     0.0228152     0.0653555     247.414  9.85899       245.916  12.8301      13.7443  77.8914       
1 1 1 16 11 5  f 1 6.38366  0.124424  -0.0408726    0.285601     -0.658703     0.335758      436.956  -142.621      98.1985  -91.7377     364.997  25.331        
1 1 1 16 11 6  o 0 4.05215  0.200581  0.246521      -0.149637    -0.0573658    0.0201552     187.584  -124.876      45.778   -29.3102     193.044  41.4725       
1 1 1 16 11 7  o 0 4.49381  0.204701  -0.419401     0.0860104    0.370058      -0.52237      278.389  65.2259       85.1128  99.4966      201.392  -128.541      
1 1 1 16 11 8  f 1 5.86239  0.20502   -0.122532     1.25827      0.225769      0.373386      118.601  -68.7634      176.185  -46.3158     84.3648  -15.879       
1 1 1 16 11 9  o 0 4.41114  0.275448  -0.114004     -0.0246678   -0.000798206  0.00516827    106.596  29.9287       162.039  31.8664      59.832   35.1826       
1 1 1 16 11 10 o 0 0.944135 0.671578  -0.151331     -0.0962586   0.00809532    0.00800042    51.9157  -57.6399      33.8758  135.046      81.3649  127.606       
1 1 1 16 11 11 o 0 2.8293   0.466896  -0.0429116    0.650131     -0.014958     0.0279739     70.408   69.5571       116.629  80.3209      54.2537  93.2277       
1 1 1 16 11 12 f 1 1.33959  0.735085  0.011055      0.465326     0.000767893   0.0146192     33.1781  58.7253       34.1781  84.5235      15.9638  170.015       
1 1 1 16 11 13 o 0 0.558831 0.770371  0.0768017     0.19317      -0.000908864  0.00116705    69.6118  -77.4878      65.82    99.4646      142.861  101.109       
1 1 1 16 12 0  o 0 6.51153  0.164712  0.0813285     0            0             0             240.776  -180          221.29   -180         5.17275  1.03725e-012  
1 1 1 16 12 1  o 0 15.8099  0.093043  0.0207713     2.718        2.40843       6.37781       550.367  30.0668       784.237  40.2678      288.196  58.8782       
1 1 1 16 12 2  f 1 15.4291  0.0842289 -0.144813     0.269325     -0.200947     0.0360779     554.414  135.958       720.568  132.683      207.712  124.528       
1 1 1 16 12 3  o 0 13.3043  0.186674  -1.32175      1.06013      0.0596593     0.348879      509.329  133.742       576.378  136.557      98.3028  150.48        
1 1 1 16 12 4  o 0 9.81653  0.0942988 -0.980888     0.514875     -1.84445      -0.304022     416.655  -108.875      391.973  -95.7521     89.8882  -10.781       
1 1 1 16 12 5  o 0 8.94248  0.2535    4.06547       5.02441      1.64083       -3.13313      341.616  -16.4198      406.949  -0.0641051   132.481  43.4635       
1 1 1 16 12 6  o 0 2.2455   0.994341  -1.01165      2.77866      0.325678      0.233949      176.439  139.683       63.6615  22.2113      205.092  -24.3313      
1 1 1 16 12 7  o 0 13.3588  0.173038  -0.280591     -0.996578    0.00343451    -0.155362     484.553  156.596       686.158  159.504      237.198  165.035       
1 1 1 16 12 8  o 0 6.4567   0.217536  0.0951337     0.902753     0.0762414     0.0803672     216.523  95.2701       313.835  91.1709      113.382  83.858        
1 1 1 16 12 9  o 0 7.61943  0.189045  0.534003      -0.104322    -0.00407192   -0.058959     185.185  -50.5602      436.78   -46.1254     264.706  -43.2299      
1 1 1 16 12 10 o 0 1.21508  0.714503  -0.349425     -0.0488918   0.0105655     0.027616      83.1901  86.8215       44.7606  -115.087     117.444  -101.354      
1 1 1 16 12 11 o 0 2.6709   1.2036    -0.0512757    0.224188     0.00150343    -0.00120253   21.338   -103.54       16.2978  -167.976     22.3385  117.62        
1 1 1 16 12 12 o 0 3.53183  0.428827  -0.193717     -0.182228    0.00183825    0.000595392   94.8284  163.999       235.505  167.891      132.78   170.914       
1 1 1 16 12 13 o 0 3.06578  0.50503   -0.987635     -0.564419    -0.00741401   0.0152145     24.9171  9.14406       68.7592  -101.989     82.3275  -119.685      
1 1 1 16 13 0  o 0 22.7112  0.129155  0.0811        0            0             0             823.486  -5.99511e-015 905.417  0            160.285  2.787e-014    
1 1 1 16 13 1  o 0 23.0297  0.444731  -6.48932      -13.2587     1.87823       -4.89423      947.563  178.788       970.78   -171.938     183.227  -122.578      
1 1 1 16 13 2  o 0 8.92257  0.388168  8.58765       -1.35713     -2.95517      0.491044      274.521  1.68534       378.508  -14.2712     153.68   -40.9314      
1 1 1 16 13 3  o 0 17.6006  0.297254  -2.0263       -8.2359      4.83402       -0.343501     653.954  -156.177      801.187  -157.791     203.193  -162.555      
1 1 1 16 13 4  o 0 10.8213  0.0935982 0.354238      -0.449599    0.556083      -0.762499     493.751  -16.3702      387.933  -25.9218     95.5451  -154.015      
1 1 1 16 13 5  o 0 6.34731  0.140258  1.0754        0.934493     -0.600581     -0.527974     421.819  111.166       119.758  63.3474      320.165  -52.7422      
1 1 1 16 13 6  f 1 8.43396  0.12958   0.102204      -0.653526    0.0549573     -0.385195     395.409  155.013       331.799  156.486      20.3386  -49.7958      
1 1 1 16 13 7  o 0 6.90182  0.154336  -0.603297     0.345643     0.123436      -0.329377     264.597  130.18        309.909  136.037      76.5939  154.568       
1 1 1 16 13 8  o 0 5.76267  0.273947  0.748082      -0.652758    0.0472339     0.0668882     266.925  -83.2362      209.316  -72.883      51.5147  49.8586       
1 1 1 16 13 9  o 0 2.10758  0.963143  0.412785      -0.0538451   -0.0132754    -0.0092033    130.35   89.5082       26.3532  19.4491      107.297  -77.1427      
1 1 1 16 13 10 o 0 2.15683  0.507687  -0.145533     -0.211488    -0.00908696   0.00591596    103.649  -82.471       33.7291  -102.791     59.6084  108.861       
1 1 1 16 13 11 < 0 0        1.4647    0.197575      0.0933714    0.00752535    0.00380308    ?        ?             157.627  165.803      ?        ?             
1 1 1 16 13 12 o 0 2.95077  0.539471  -0.0172569    1.04712      -0.0110597    0.0234889     70.116   77.0126       191.48   81.591       118.116  84.4476       
1 1 1 16 14 0  o 0 24.9139  0.137714  -0.111485     1.36526e-017 0             0             665.765  -180          951.099  -180         374.234  180           
1 1 1 16 14 1  o 0 9.52099  0.15913   -2.35017      4.73552      1.49402       6.82085       319.815  27.0375       466.948  57.5605      266.983  89.6955       
1 1 1 16 14 2  o 0 7.19835  0.108466  -1.19301      0.204695     -1.05805      -0.267902     377.128  -141.954      150.913  -123.871     193.934  24.068        
1 1 1 16 14 3  o 0 2.5091   0.277427  -0.286372     -0.0984941   -0.399694     0.341136      84.8122  -54.7135      58.7865  162.84       126.661  141.719       
1 1 1 16 14 4  o 0 12.278   0.233739  -2.72389      0.744934     -1.28283      -0.385339     460.025  102.53        525.248  117.108      166.328  155.174       
1 1 1 16 14 5  o 0 9.99753  0.111508  1.66817       0.414149     0.659079      -1.47959      504.743  -46.8916      360.622  -33.3557     120.816  88.7914       
1 1 1 16 14 6  o 0 2.65026  0.320344  -0.130512     0.969716     0.178485      -0.018697     139.863  -28.96        77.2911  81.6651      165.298  125.088       
1 1 1 16 14 7  o 0 8.62634  0.146642  -0.0973246    0.00585041   -0.00084583   -0.00072318   374.889  -79.2352      346.621  -80.0164     21.0412  -92.214       
1 1 1 16 14 8  o 0 3.4204   0.493923  -1.37584      -0.512345    -0.0437454    -0.107799     153.798  171.427       102.798  -166.639     54.4482  -53.4245      
1 1 1 16 14 9  o 0 3.31589  0.373939  -0.292619     0.0579928    0.00285968    -0.0127072    77.7391  103.609       126.062  115.542      63.75    127.743       
1 1 1 16 14 10 o 0 1.56631  0.631909  0.242627      -0.0875616   0.000590356   -0.00825545   45.8881  96.8218       19.0453  -35.3088     53.0901  -67.7492      
1 1 1 16 14 11 o 0 3.73609  0.398219  -0.649852     -0.180234    0.0135913     -0.000294799  113.328  -146.853      231.605  -149.746     116.452  -152.613      
1 1 1 16 14 12 o 0 1.71968  0.678729  0.0198259     0.0117516    -1.89724e-005 1.49936e-005  132.035  -90.5405      8.25707  -84.4742     125.383  89.0607       
1 1 1 16 15 0  o 0 5.44059  0.212131  -0.0190224    2.32949e-018 0             0             9.21362  3.49919e-013  4.07228  0            3.53691  -180          
1 1 1 16 15 1  o 0 8.60621  0.149841  -0.494114     -0.744162    -0.110367     -0.243869     263.094  120.23        330.443  140.487      145.679  171.984       
1 1 1 16 15 2  o 0 12.5713  0.230589  1.56951       -0.868674    -0.592762     0.0898295     365.455  -3.18106      558.885  -12.6244     260.207  -23.8154      
1 1 1 16 15 3  o 0 5.57285  0.190106  -0.0988228    2.63917      1.59777       -0.739363     207.232  35.2238       214.563  28.3436      49.1406  3.6864        
1 1 1 16 15 4  o 0 6.34607  0.344133  -2.76359      -0.954476    -0.596941     -0.213641     418.411  -60.9888      167.833  -111.765     273.67   147.376       
1 1 1 16 15 5  o 0 4.26703  0.228634  -1.77077      1.1678       -0.768613     0.622012      318.517  101.009       45.7188  104.943      219.354  -79.8104      
1 1 1 16 15 6  o 0 2.21359  0.355556  0.23141       -0.314065    -0.0781443    -0.353084     178.572  -77.3284      31.4683  58.4473      172.85   95.3766       
1 1 1 16 15 7  o 0 2.82806  0.340683  -0.311973     -0.074655    0.0942174     -0.0150854    79.318   164.41        53.2918  -178.393     21.9921  -61.352       
1 1 1 16 15 8  o 0 2.14437  0.412271  -0.184641     0.198587     -0.00591199   -0.0331524    88.9822  138.624       36.0769  135.198      35.6211  -37.9056      
1 1 1 16 15 9  o 0 3.99394  0.319343  0.0868369     -0.944126    -0.0147622    -0.0724073    226.373  23.1044       108.978  -0.530425    93.0229  -128.883      
1 1 1 16 15 10 o 0 3.58456  0.377847  -0.176927     -0.364834    -0.00820003   0.00704905    121.016  -174.82       170.899  -164.566     56.0308  -141.933      
1 1 1 16 15 11 o 0 4.14344  0.359518  0.84629       -0.716495    0.0221612     -0.0193831    160.146  -121.032      223.74   -110.022     76.4587  -87.0552      
1 1 1 16 15 12 o 0 1.13052  0.699516  0.170632      0.209221     -0.000434087  0.00201262    35.9352  23.7789       8.60703  69.5149      29.4397  -168.306      
1 1 1 16 16 0  o 0 28.4587  0.21448   0.0480269     0            0             0             908.096  180           1013.34  180          319.537  -180          
1 1 1 16 16 1  o 0 1.64317  0.512863  0.0595994     0.0344097    0             0             146.135  30            30.3911  30           82.8411  -150          
1 1 1 16 16 2  f 1 10.1833  0.140439  0.218946      0.379226     0             0             762.321  60            371.442  60           216.096  -120          
1 1 1 16 16 3  o 0 5.6921   0.219739  -4.44106e-017 -0.241768    0             0             285.858  -90           208.797  -90          16.5258  90            
1 1 1 16 16 4  f 1 11.6662  0.156465  -0.30607      0.530129     0             0             699.108  120           430.75   120          114.677  -60           
1 1 1 16 16 5  o 0 0        1.58114   0.114294      -0.0659878   0             0             64.3145  -30           0        0            51.1386  150           
1 1 1 16 16 6  o 0 4.46094  0.313441  0.0118856     0            0             0             3.21609  -180          2.94949  -180         0.385908 180           
1 1 1 16 16 7  o 0 2.34521  0.513952  -0.137903     -0.0796183   0             0             168.669  -150          80.6835  -150         48.8636  30            
1 1 1 16 16 8  o 0 7.97496  0.219577  0.228136      0.395143     0             0             305.331  -120          296.725  -120         62.1779  -120          
1 1 1 16 16 9  o 0 5.18652  0.308828  1.67413e-016  0.546831     0             0             204.673  90            192.664  90           35.6524  90            
1 1 1 16 16 10 o 0 1.81659  0.762145  0.0660358     -0.114377    0             0             56.5403  -60           58.4118  -60          5.57391  -60           
1 1 1 16 16 11 o 0 0        2.07364   -0.212308     0.122576     0             0             103.798  150           0        0            96.4712  -30           
1 1 1 17 0  0  o 0 45.8639  0.251539  -0.973809     1.19253e-016 0             0             1512.19  -180          1864.1   -180         458.21   180           
1 1 1 17 0  1  o 0 3.2249   0.162184  0.0218365     0.037822     0             0             599.002  60            83.4536  60           457.188  -120          
1 1 1 17 0  2  o 0 1.58114  0.28969   -0.0145723    0.02524      0             0             19.7794  120           2.50199  120          14.9044  -60           
1 1 1 17 0  3  f 1 14.8963  0.0967097 -1.57424      1.92782e-016 0             0             943.39   180           562.324  180          239.866  -6.95686e-015 
1 1 1 17 0  4  o 0 21.7601  0.123379  0.526695      0.912263     0             0             534.917  60            1047.83  60           458.611  60            
1 1 1 17 0  5  o 0 4.40454  0.164053  -0.0163942    0.0283956    0             0             1.20741  120           7.3224   120          6.00363  120           
1 1 1 17 0  6  o 0 1.14018  0.507542  0.0475822     0            0             0             100.281  7.82204e-015  4.93539  0            103.897  -180          
1 1 1 17 0  7  o 0 23.5966  0.141123  -0.355366     -0.615512    0             0             898.92   -120          1161.43  -120         157.2    -120          
1 1 1 17 0  8  o 0 6.75278  0.194249  -0.0575409    0.0996638    0             0             324.845  120           313.426  120          46.2161  -60           
1 1 1 17 0  9  o 0 1.54919  0.626358  0.0649188     0            0             0             82.8806  9.94951e-015  12.2933  0            78.2726  -180          
1 1 1 17 0  10 o 0 4.4833   0.350664  -0.101163     -0.175219    0             0             42.8295  -120          72.026   -120         26.0823  -120          
1 1 1 17 0  11 o 0 2.32379  0.625245  0.00353824    -0.00612842  0             0             3.68455  120           1.17555  120          2.58353  -60           
1 1 1 17 0  12 o 0 0        2.19089   0.0607632     0            0             0             66.5847  3.71149e-015  0        0            65.7852  -180          
1 1 1 17 0  13 o 0 0        2.28035   0.0162494     0.0281448    0             0             8.35897  60            0        0            7.63588  -120          
1 1 1 17 0  14 o 0 0        2.28035   0.12066       -0.20899     0             0             76.1332  -60           0        0            82.7289  120           
1 1 1 17 0  15 o 0 0        2.44949   0.365422      0            0             0             96.8929  -6.73392e-015 0        0            97.4291  180           
1 1 1 17 1  0  o 0 19.5448  0.101797  0.219035      0            0             0             863.518  1.6789e-014   765.761  0            8.13088  -180          
1 1 1 17 1  1  o 0 9.6885   1.02197   5.19296       -83.1029     27.3306       2.41408       441.395  -72.6164      358.695  -32.8632     254.19   42.9091       
1 1 1 17 1  2  o 0 14.1818  0.511514  16.3137       17.8093      2.12132       -10.1454      726.892  -10.5707      430.369  2.88559      225.734  143.092       
1 1 1 17 1  3  o 0 17.2824  0.492353  -17.7803      -19.2971     -0.57432      -10.3145      667.281  -70.1977      920.582  -90.6194     349.416  -137.021      
1 1 1 17 1  4  o 0 5.07136  0.125475  1.79299       -4.99703     5.51852       7.27516       253.715  -139.699      158.839  -151.535     122.137  55.7714       
1 1 1 17 1  5  o 0 11.0838  1.02951   49.1679       -72.5113     9.52435       20.9278       335.864  -30.3868      647.237  -43.3736     307.413  -58.6257      
1 1 1 17 1  6  o 0 3.11644  0.183375  -2.08445      0.762187     -1.47153      1.99194       105.386  -169.331      25.3669  -97.6851     107.361  -2.29045      
1 1 1 17 1  7  o 0 10.3256  0.403869  -3.02531      5.633        0.745412      0.794415      603.589  62.0086       359.023  103.297      462.127  -148.83       
1 1 1 17 1  8  o 0 6.03456  0.204419  -1.39081      0.670987     -0.341422     0.249065      237.197  61.7589       282.192  116.902      251.993  174.991       
1 1 1 17 1  9  o 0 0.758615 0.583913  0.0367322     -0.0464474   0.00985744    0.00653003    152.111  53.727        159.684  -125.519     325.412  -125.903      
1 1 1 17 1  10 o 0 3.92506  0.296568  0.127246      -0.386741    0.0942663     -0.0374881    181.512  21.3666       128.936  -2.26929     88.6922  -122.983      
1 1 1 17 1  11 o 0 1.24761  0.623263  0.0212755     0.0821333    -0.00957027   0.000326793   79.8228  43.4066       53.957   -139.512     135.892  -137.752      
1 1 1 17 1  12 o 0 4.98306  0.302511  0.0220796     0.56964      -0.0656897    -0.0154774    148.398  -148.679      218.917  -163.847     85.1237  169.03        
1 1 1 17 1  13 o 0 4.70798  0.339508  -0.372494     -0.263363    0.00495778    0.0114903     302.159  166.623       123.397  172.938      158.572  -18.2879      
1 1 1 17 1  14 < 0 0        1.65069   -0.399123     -0.0790693   0.0127121     0.00509906    ?        ?             197.645  65.5272      ?        ?             
1 1 1 17 1  15 o 0 2.91677  0.802086  -0.324591     -0.326708    -0.00232488   0.000363951   25.1866  -49.8818      126.905  -77.5399     104.568  -84.1698      
1 1 1 17 2  0  o 0 39.2696  0.157252  -2.59072      3.17261e-016 0             0             1972.64  -180          1493.33  -180         222.579  1.77682e-013  
1 1 1 17 2  1  o 0 13.6348  0.211031  0.289638      -0.740088    0.0428176     0.0649608     567.726  -85.2876      449.876  -82.7708     38.5015  63.8417       
1 1 1 17 2  2  o 0 19.2749  0.27689   0.612415      8.99368      5.40369       1.00783       733.268  28.9533       995.082  28.6156      204.868  27.3132       
1 1 1 17 2  3  o 0 14.1198  0.609721  6.93249       -64.3553     43.4851       14.1535       813.556  -121.595      672.672  174.566      829.76   105.093       
1 1 1 17 2  4  o 0 9.35279  0.230946  -12.7631      7.388        -11.6041      13.1662       595.493  111.991       467.657  33.8353      702.888  -27.3792      
1 1 1 17 2  5  o 0 12.8386  0.184016  -3.99109      -0.506225    -1.60763      -1.08097      557.128  134.842       541.338  139.214      63.106   -85.9958      
1 1 1 17 2  6  o 0 9.48614  1.83121   1e-030        0            0             0             564.006  42.5904       231.003  42.5904      359.17   -137.41       
1 1 1 17 2  7  o 0 19.8815  0.226275  3.99138       -3.8849      -2.1671       2.64676       691.37   -83.8908      1133.06  -90.5107     392.194  -103.345      
1 1 1 17 2  8  o 0 14.0982  0.10247   -0.954391     -0.817273    0.728817      -0.606834     703.088  -179.14       553.168  178.328      216.087  7.35324       
1 1 1 17 2  9  o 0 10.6766  0.148766  0.848191      -0.017486    -0.0857794    0.0495285     408.316  -27.1853      506.799  -22.717      73.3919  5.36157       
1 1 1 17 2  10 o 0 1.7303   0.810278  -0.720807     0.531581     -0.00837634   0.0839732     147.449  175.355       51.5451  24.6998      201.112  2.57051       
1 1 1 17 2  11 o 0 1.74292  0.643988  -0.110675     -0.0704871   0.00165234    -0.00319923   42.7658  13.656        28.9681  -159.279     72.9671  -163.545      
1 1 1 17 2  12 o 0 4.98658  0.307508  0.545959      -0.323466    0.0286718     0.0228957     194.114  -111.746      214.796  -96.3247     58.2129  -32.8769      
1 1 1 17 2  13 o 0 2.24819  0.589818  -0.0340471    0.143178     -0.00110786   -0.000505314  51.431   -113.741      23.9656  -134.491     27.3774  84.3275       
1 1 1 17 2  14 o 0 2.083    0.649656  0.108377      -0.0767529   0.00034726    -0.000488553  5.89472  139.568       2.24972  -3.46356     8.43673  -31.2041      
1 1 1 17 2  15 o 0 1.8693   0.696574  0.205549      -0.0496713   0.000641286   5.14298e-005  74.0025  37.1172       61.7504  26.9391      20.5856  -110.873      
1 1 1 17 3  0  f 1 1.73205  0.292621  -0.0390845    4.78632e-018 0             0             425.537  5.92112e-014  19.5212  0            439.903  -180          
1 1 1 17 3  1  o 0 16.7896  0.653346  26.7843       -36.6922     7.16817       16.4445       738.574  7.1314        795.69   -13.6097     286.083  -92.8059      
1 1 1 17 3  2  f 1 4.90775  0.151161  6.75282       0.425276     -9.03275      -2.62661      354.709  -52.3639      126.174  -130.059     363.885  147.438       
1 1 1 17 3  3  o 0 10.4514  0.566271  17.721        14.8852      -0.599202     -6.21601      369.453  19.1668       504.576  26.5877      131.193  48.9515       
1 1 1 17 3  4  o 0 12.9646  0.172104  -2.4109       -13.9844     30.4638       1.54214       600.023  179.907       562.521  -163.948     177.693  -61.774       
1 1 1 17 3  5  o 0 24.8975  0.205194  -0.197548     6.5245       4.52879       6.5168        1095.46  34.2326       1105.64  38.4453      89.2933  148.787       
1 1 1 17 3  6  o 0 16.7181  0.209719  3.09662       -1.04651     -1.53575      0.142627      725.11   -52.1049      774.882  -57.3717     72.0809  -151.425      
1 1 1 17 3  7  o 0 15.059   0.322071  0.845279      3.27628      0.272258      -0.299987     536.238  122.563       815.611  111.235      271.41   86.3865       
1 1 1 17 3  8  o 0 4.28574  0.333441  -0.71775      0.823321     -0.00179289   0.0974848     258.463  -25.2158      168.176  122.663      431.918  142.836       
1 1 1 17 3  9  o 0 2.32154  0.399746  0.136774      0.210087     -0.000210483  -0.017331     46.4026  -92.75        56.894   73.0752      106.263  79.7162       
1 1 1 17 3  10 o 0 8.09054  0.342021  0.18003       1.309        0.114055      0.0282788     210.916  36.1611       520.416  43.9986      303.028  49.7049       
1 1 1 17 3  11 o 0 2.95464  0.404092  0.268328      -0.196938    -0.0357424    -0.0265726    73.2017  4.77788       69.1144  -19.808      31.5195  -109.396      
1 1 1 17 3  12 o 0 6.42433  0.246789  0.0870595     0.261323     -0.00475662   0.00229501    225.159  -12.7332      359.144  -10.3667     139.572  -6.63404      
1 1 1 17 3  13 o 0 2.67986  0.515214  0.16109       0.226665     -0.000676916  0.00425678    63.4694  0.715152      84.4433  16.3057      30.8485  48.081        
1 1 1 17 3  14 o 0 0.997922 0.805102  -0.246875     -0.125429    0.00391299    -0.00166627   47.2737  -2.05503      30.9558  -168.463     83.596   -177.063      
1 1 1 17 3  15 o 0 1.65782  0.768755  -0.157022     -0.530827    -0.000904039  0.00145151    69.7139  -138.448      53.4929  -119.302     30.2711  6.13012       
1 1 1 17 4  0  o 0 4.77493  0.142295  -0.110712     1.35579e-017 0             0             373.115  3.16974e-014  115.976  0            284.305  -180          
1 1 1 17 4  1  o 0 22.5077  0.0812831 -1.56114      -1.16312     -1.06682      -0.511119     865.654  -102.02       1108.12  -99.9694     198.664  -90.508       
1 1 1 17 4  2  o 0 16.3429  0.421611  -7.39732      26.8863      13.9904       12.0576       700.528  54.2814       771.546  33.523       273.549  -37.2014      
1 1 1 17 4  3  f 1 17.5704  0.0978687 -5.0339       6.5196       10.5647       8.96642       818.211  -168.341      741.263  -167.394     90.4153  3.87097       
1 1 1 17 4  4  o 0 17.3438  0.27462   4.27186       -1.4523      -0.76232      1.18197       665.829  -20.6839      790.374  -11.117      162.271  33.3638       
1 1 1 17 4  5  o 0 7.29432  0.0936462 -0.0392085    0.211007     0.0758799     -0.0341095    315.416  5.21185       238.528  10.6648      87.3276  170.168       
1 1 1 17 4  6  o 0 7.33274  0.858188  4.96868       26.4113      5.00991       -1.62289      386.719  69.3477       252.744  79.8734      171.188  -126.299      
1 1 1 17 4  7  f 1 10.0024  0.104552  0.582506      -0.0599863   -0.207752     -0.149043     393.901  155.826       444.593  144.598      88.8222  78.7626       
1 1 1 17 4  8  o 0 8.90589  0.147636  -0.874482     -1.85335     1.06264       -0.436743     339.308  -35.2892      416.358  -45.2206     84.7691  -93.1884      
1 1 1 17 4  9  o 0 10.1074  0.130733  0.463109      0.49797      0.162252      0.396017      331.534  12.0913       534.509  23.851       199.015  45.2788       
1 1 1 17 4  10 o 0 10.5537  0.1621    -1.35221      0.682468     0.159963      0.364056      340.485  -171.231      641.653  -172.981     286.199  -175.156      
1 1 1 17 4  11 o 0 1.17418  0.68323   -0.297099     -0.171567    -0.0435668    0.00881402    67.6383  -16.7807      66.3472  175.731      135.581  169.305       
1 1 1 17 4  12 o 0 2.87209  0.77232   0.261477      0.06811      0.000173271   -0.00442617   118.464  -165.505      84.1012  -165.762     32.1623  15.1673       
1 1 1 17 4  13 o 0 2.61144  0.523149  -0.168172     0.826526     -0.0363648    -0.001044     125.325  52.9767       105.99   83.5554      79.8544  -169.494      
1 1 1 17 4  14 o 0 0.749167 0.750511  -0.0332592    0.0749335    -0.000258135  0.000156364   14.5781  -113.083      12.7002  78.3917      29.1588  71.8878       
1 1 1 17 5  0  o 0 28.1886  0.128894  -1.27785      1.56486e-016 0             0             716.812  180           1295.92  180          542.124  -180          
1 1 1 17 5  1  o 0 17.9226  0.268717  -6.04571      8.50916      0.106601      6.93654       646.067  81.6218       950.039  62.3167      387.464  27.4664       
1 1 1 17 5  2  o 0 7.63397  0.0799425 0.000718173   0.928019     0.714463      0.507642      250.751  -103.709      169.311  137.834      368.999  100.082       
1 1 1 17 5  3  o 0 9.19996  0.249709  3.44241       3.73366      0.389921      -1.47352      407.36   37.2073       301.709  30.5773      120.005  -125.918      
1 1 1 17 5  4  o 0 16.4504  1.02641   12.2185       -46.1921     10.5414       7.39587       558.432  -83.6799      848.373  -96.8963     323.566  -120.511      
1 1 1 17 5  5  o 0 6.86572  0.101415  0.123632      0.174025     -0.311615     -0.0275886    154.981  -116.418      238.227  -103.884     86.4313  -79.6797      
1 1 1 17 5  6  o 0 9.26024  0.101536  0.333564      -0.989432    0.445066      0.0150875     242.709  -132.927      483.482  -125.366     231.456  -116.973      
1 1 1 17 5  7  o 0 1.57641  0.405275  -0.146688     0.225404     0.225672      0.117489      134.207  -24.6534      133.746  150.535      276.154  153.018       
1 1 1 17 5  8  o 0 2.41877  0.339696  -0.180656     0.180812     -0.161569     0.112991      144.979  51.8447       90.3947  -147.102     242.008  -135.121      
1 1 1 17 5  9  o 0 5.62756  0.198454  0.0902803     0.315765     -0.063912     -0.0916357    219.26   25.4241       260.736  30.461       38.6686  61.7231       
1 1 1 17 5  10 o 0 1.16369  0.665541  0.343409      -0.520091    0.0582931     0.0453809     187.571  -25.3878      131.089  160.04       325.909  156.792       
1 1 1 17 5  11 o 0 4.70697  0.366711  -1.43831      0.215855     -0.0475742    0.143729      147.491  146.646       240.92   161.921      102.075  -174.908      
1 1 1 17 5  12 o 0 2.64054  0.488001  0.0772364     -0.0255339   0.000719381   0.000354856   97.7469  -120.63       74.8597  -115.179     22.6678  41.0888       
1 1 1 17 5  13 o 0 2.70657  0.518923  -0.0252082    0.201163     -0.00213517   -0.000747564  60.635   51.9024       104.631  62.2883      35.3802  84.1198       
1 1 1 17 5  14 o 0 1.27989  0.667072  -0.191949     -0.126972    0.00223531    0.000959391   49.2115  -47.489       15.0487  -136.614     58.2663  147.477       
1 1 1 17 6  0  o 0 3.84708  0.185764  -0.288623     3.53449e-017 0             0             204.385  180           91.9754  180          118.798  -1.1281e-013  
1 1 1 17 6  1  o 0 9.85251  0.271088  5.04412       -1.10073     -1.3631       0.375691      532.322  -35.5801      258.574  -29.079      287.338  138.572       
1 1 1 17 6  2  o 0 11.5371  0.383463  8.90901       -10.9287     2.73009       7.13615       295.525  6.787         694.655  6.22651      396.137  5.8041        
1 1 1 17 6  3  o 0 2.52762  0.161556  -0.0814862    -0.0224334   -0.0126956    -0.0338605    179.679  56.0372       149.718  -126.455     330.154  -125.093      
1 1 1 17 6  4  o 0 21.5081  0.103164  -2.39568      -0.828756    -1.47364      0.260549      960.03   -88.7688      912.595  -97.8629     154.199  160.528       
1 1 1 17 6  5  o 0 10.6325  0.449449  8.56253       -1.65159     -1.45658      0.835621      234.913  30.8652       686.684  6.65574      474.229  -5.56099      
1 1 1 17 6  6  o 0 13.7735  0.0932785 0.476621      -0.244758    0.517591      0.141296      608.491  -49.4614      588.621  -39.6829     114.905  70.0762       
1 1 1 17 6  7  o 0 3.225    0.590015  -3.49267      -2.41959     -0.298231     -0.62475      197.272  -140.804      46.432   -151.208     162.089  42.1615       
1 1 1 17 6  8  o 0 10.0646  0.255426  -0.503058     -3.10624     1.31123       0.463638      512.561  -91.9123      354.016  -117.416     269.583  122.519       
1 1 1 17 6  9  o 0 4.2124   0.61987   -1.29608      2.62282      0.142269      0.324447      110.383  37.5171       271.412  96.1517      233.334  120.836       
1 1 1 17 6  10 o 0 5.21024  0.244114  0.441593      -0.774177    -0.0986397    0.121625      187.691  100.426       228.383  85.5872      64.3217  35.0122       
1 1 1 17 6  11 o 0 3.56508  0.383985  0.159547      -0.103146    -0.00343791   -0.000658611  74.9647  42.3164       96.449   26.1983      30.9474  -17.5905      
1 1 1 17 6  12 o 0 1.7185   0.618136  0.0999307     0.0794783    0.000200667   0.00240183    70.6123  92.1742       7.85783  16.5097      67.726   -81.3715      
1 1 1 17 6  13 o 0 3.22364  0.458724  0.145296      0.599186     -0.011855     0.00194926    75.2124  -172.873      156.817  155.402      92.8936  124.541       
1 1 1 17 6  14 o 0 1.52301  0.793362  -0.266801     -0.108976    0.00195936    -0.00200482   63.4336  -122.347      36.1171  -140.551     40.4685  73.8434       
1 1 1 17 7  0  o 0 12.0125  0.107259  -0.234925     2.87691e-017 0             0             363.4    -2.28568e-014 474.446  0            107.199  7.83042e-014  
1 1 1 17 7  1  o 0 14.7661  0.153208  1.22771       2.26357      0.162774      -1.23466      485.183  73.4588       705.856  88.7056      269.059  117.081       
1 1 1 17 7  2  o 0 5.76158  0.545004  0.75995       14.8852      4.72291       -0.172772     191.983  117.274       263.041  65.7794      207.642  19.7214       
1 1 1 17 7  3  o 0 5.99536  0.334805  -7.1824       0.19324      -2.49761      0.406092      288.755  -79.5141      362.03   -163.62      436.574  156.061       
1 1 1 17 7  4  o 0 8.34812  0.181592  -1.89351      4.43986      2.7375        1.63444       488.241  10.7681       303.469  61.5293      388.389  153.527       
1 1 1 17 7  5  o 0 10.5703  0.240906  2.71248       1.81827      -0.420143     -0.569957     373.269  68.2343       516.862  60.241       146.569  38.8692       
1 1 1 17 7  6  o 0 13.4658  0.0936265 -0.196179     1.49636      -0.255798     2.75025       509.014  60.7795       673.694  54.2721      162.192  32.6968       
1 1 1 17 7  7  o 0 10.7035  0.10928   -1.98073      0.455773     -0.604794     1.0276        510.52   -79.1731      487.39   -125.721     404.292  161.89        
1 1 1 17 7  8  f 1 6.22606  0.172971  0.213158      0.265041     0.11455       -0.0305495    260.241  -138.869      150.384  -151.203     125.172  56.0015       
1 1 1 17 7  9  o 0 8.24964  0.154859  -0.127188     0.614955     0.0327778     -0.231212     320.983  -164.61       423.336  -174.115     113.279  157.281       
1 1 1 17 7  10 o 0 6.04345  0.226024  0.638753      -0.0756912   0.170646      0.0314148     173.77   -121.708      319.553  -113.429     145.726  -103.301      
1 1 1 17 7  11 o 0 4.73899  0.278795  -0.306423     0.0394602    0.00356218    0.00680298    196.298  128.318       225.161  131.61       34.4344  150.372       
1 1 1 17 7  12 o 0 1.8067   0.642518  -0.0214256    0.0771857    -0.000424271  0.000368215   85.0197  88.7081       5.51382  106.332      77.6691  -92.5235      
1 1 1 17 7  13 o 0 2.73787  0.50565   0.570948      -0.13522     0.0038228     -0.0103339    28.469   -10.7393      170.744  -12.0578     137.271  -12.3794      
1 1 1 17 7  14 o 0 1.87736  0.901558  -0.0448904    -0.213349    0.000633984   0.00125803    13.1919  -14.4133      32.0403  -59.7911     23.9413  -86.6885      
1 1 1 17 8  0  f 1 8.56154  0.120921  -0.505108     6.18558e-017 0             0             358.103  180           367.767  180          21.8185  -180          
1 1 1 17 8  1  o 0 14.2989  0.13922   -0.889882     -0.401261    -0.00945705   -0.35233      468.598  -168.66       715.736  -171.545     260.073  -176.621      
1 1 1 17 8  2  o 0 2.94664  0.178761  -0.26413      0.903838     0.477053      0.543344      301.014  -4.17406      186.559  142.802      472.788  163.408       
1 1 1 17 8  3  o 0 9.44728  0.287271  -1.46564      -5.27391     1.24538       -1.08895      516.79   -61.1071      286.776  -74.0501     251.648  133.681       
1 1 1 17 8  4  f 1 18.7716  0.32632   -6.38433      6.64334      1.1244        2.86852       657.035  -166.063      1000.99  -178.357     387.278  160.545       
1 1 1 17 8  5  o 0 3.31268  0.622442  6.78793       -0.238272    -1.21087      0.146997      225.019  -29.2982      96.1153  51.8973      233.786  126.73        
1 1 1 17 8  6  o 0 12.2792  0.38225   1.2535        -2.75974     0.225301      0.16816       312.506  26.2491       748.536  -8.79676     520.866  -29.3625      
1 1 1 17 8  7  f 1 4.67049  0.197726  0.221877      -0.0679147   -0.0785762    -0.278703     167.126  -76.0143      96.7075  -43.2738     101.88   73.0968       
1 1 1 17 8  8  o 0 4.8275   0.221832  -0.724499     0.92621      0.333918      0.268018      41.9229  52.4659       213.874  99.5892      187.751  109.059       
1 1 1 17 8  9  o 0 4.95901  0.242635  0.234868      0.189614     -0.013504     -0.00887868   26.7069  141.714       105.568  102.53       86.3638  91.1527       
1 1 1 17 8  10 o 0 1.1705   0.646292  -0.090613     0.065533     0.0131688     -0.000359335  126.012  -129.666      95.1522  54.0016      222.5    51.9018       
1 1 1 17 8  11 f 1 2.59255  0.473076  -0.203045     -0.160764    -0.00326248   0.00862134    122.582  168.116       69.9207  -179.099     51.488   -29.3719      
1 1 1 17 8  12 < 1 0        1.54033   0.0395291     0.0272214    -0.000156305  0.000481064   ?        ?             88.0167  167.111      ?        ?             
1 1 1 17 8  13 o 0 0.755557 0.792242  0.0387585     0.279139     -0.00291989   -0.00260861   63.6867  -91.9095      57.2124  86.8072      131.563  87.5325       
1 1 1 17 8  14 < 0 0        1.49346   -0.0578885    0.383373     -0.004644     -0.000959912  ?        ?             111.229  -2.8586      ?        ?             
1 1 1 17 9  0  o 0 16.7063  0.112963  0.0465452     0            0             0             393.001  -3.2334e-014  735.86   0            342.942  3.70459e-014  
1 1 1 17 9  1  o 0 6.11248  0.240417  1.19708       4.20877      1.33526       -1.15351      286.409  70.5171       158.609  91.0611      148.04   -131.568      
1 1 1 17 9  2  o 0 1.71127  0.286125  0.108904      0.317051     1.18556       0.351511      196.414  129.325       165.913  -49.9214     361.354  -50.3289      
1 1 1 17 9  3  o 0 2.59181  0.376341  -4.24067      0.154975     -1.19823      0.183561      89.0891  -153.806      92.5835  166.184      62.083   99.6837       
1 1 1 17 9  4  o 0 11.5747  0.225088  0.0704587     4.72663      2.08035       -0.66956      476.812  165.919       531.976  141.84       217.334  78.883        
1 1 1 17 9  5  o 0 8.00161  0.529649  -0.0269866    7.7998       1.13634       -0.101045     405.642  114.07        274.09   90.4724      188.88   -30.4166      
1 1 1 17 9  6  o 0 6.53867  0.126449  0.393959      -0.0372101   0.662748      0.678748      318.379  -150.784      197.17   -152.64      122.447  32.2066       
1 1 1 17 9  7  o 0 1.41679  0.46996   0.0863818     0.230625     0.0461626     -0.0105166    192.779  -107.357      183.09   72.4017      377.553  72.5262       
1 1 1 17 9  8  o 0 8.56608  0.16202   0.357526      0.155848     0.00994641    -0.0554511    281.869  26.8139       471.367  25.9924      192.659  24.8036       
1 1 1 17 9  9  o 0 3.27234  0.346326  0.0715726     0.303634     -0.0696775    0.025483      145.715  80.7658       83.0328  79.2149      61.7885  -97.1499      
1 1 1 17 9  10 o 0 1.73721  0.819248  -0.368817     0.294068     -0.0130687    0.015922      67.2295  18.7513       57.9055  165.942      119.786  -176.434      
1 1 1 17 9  11 o 0 2.15342  0.7623    0.214201      -0.134012    -0.0053799    -0.000740844  98.1637  -104.303      36.2656  -73.6662     65.4282  59.2904       
1 1 1 17 9  12 o 0 2.76535  0.491219  -0.0441946    -0.754822    -0.0288734    0.0118027     101.977  -179.828      126.988  -140.442     83.8316  -73.8162      
1 1 1 17 9  13 o 0 1.745    0.828172  0.476014      0.124342     0.00732359    -0.00706742   9.87356  -90.7324      46.0897  -0.345726    47.5511  13.5141       
1 1 1 17 10 0  o 0 17.5157  0.116264  -0.95246      1.16639e-016 0             0             728.804  2.38429e-015  750.566  0            41.7382  -4.04916e-014 
1 1 1 17 10 1  o 0 11.1011  0.0835918 0.0968584     -0.0755937   -0.0444139    -0.0503081    457.275  -132.632      444.588  -129.693     22.8213  -39.925       
1 1 1 17 10 2  o 0 11.5662  0.0832935 0.908998      -0.020221    -0.296525     0.983327      504.108  -114.004      459.194  -113.292     31.9555  55.7074       
1 1 1 17 10 3  o 0 4.61082  0.139899  0.926396      -1.20439     3.38601       3.0416        232.777  13.6132       145.823  18.8164      82.4929  -175.612      
1 1 1 17 10 4  o 0 8.80503  0.274522  -4.7992       0.669208     -1.37116      0.690977      422.65   147.746       283.544  159.232      145.816  -55.0344      
1 1 1 17 10 5  o 0 18.4393  0.188885  -0.117492     2.4851       0.53403       -0.258644     640.066  177.623       935.77   164.608      354.557  141.154       
1 1 1 17 10 6  o 0 5.76271  0.145707  0.212152      -0.211381    0.216926      -0.179827     151.536  -150.801      114.048  -137.467     46.2903  -5.42554      
1 1 1 17 10 7  f 1 14.9658  0.0995793 -0.0819276    -0.821922    -0.226813     -0.178999     420.452  -58.7333      921.402  -60.9014     522.579  -62.5579      
1 1 1 17 10 8  o 0 5.39601  0.21467   -0.283535     0.79047      0.113218      -0.0164192    181.202  166.442       260.332  153.539      97.3263  129.766       
1 1 1 17 10 9  o 0 4.44399  0.277276  -0.0635919    -0.140338    0.00241413    0.000660732   160.269  -99.0347      173.363  -100.527     17.806   -113.718      
1 1 1 17 10 10 f 1 3.27529  0.384699  0.196462      0.432412     -0.0156506    0.033283      104.387  -62.3715      122.312  -46.1118     40.0975  -3.71335      
1 1 1 17 10 11 o 0 3.00031  1.34272   -1.02189      0.106349     -0.0253139    0.0202881     63.3905  129.482       144.111  155.244      94.122   171.199       
1 1 1 17 10 12 o 0 1.93777  0.617662  0.0364003     -0.315003    -0.00499295   -0.00136639   70.6809  -85.4656      80.5965  -84.8618     0.87902  19.4808       
1 1 1 17 10 13 < 0 0        1.51335   -0.1396       0.224278     -0.00397427   -0.00399516   ?        ?             64.9823  -166.329     ?        ?             
1 1 1 17 11 0  o 0 19.9173  0.127214  0.0366352     0            0             0             798.893  180           827.212  180          74.1289  -180          
1 1 1 17 11 1  o 0 4.35963  0.250982  -2.10363      5.20284      2.98255       2.20104       161.376  22.3395       141.423  98.2503      181.114  153.107       
1 1 1 17 11 2  o 0 9.69568  0.166163  -0.625317     2.41993      0.980245      1.26468       455.044  59.6766       343.818  50.523       107.085  -89.6088      
1 1 1 17 11 3  o 0 5.2      0.135046  0.578113      0.644727     -0.0744761    -0.355334     156.027  -102.004      113.302  2.93709      208.521  46.3286       
1 1 1 17 11 4  f 1 16.2505  0.198897  -0.356901     2.54808      0.612508      -0.102995     596.054  154.858       769.776  147.167      228.095  128.01        
1 1 1 17 11 5  o 0 2.96282  0.234088  -0.668764     1.37332      0.653519      0.487312      86.6674  142.591       53.9876  120.716      38.4859  -5.89709      
1 1 1 17 11 6  o 0 13.4853  0.13285   1.02452       1.07852      -0.474192     -0.238868     397.638  -15.4109      778.208  -13.5587     405.874  -11.8579      
1 1 1 17 11 7  o 0 8.51765  0.159848  0.311816      0.940378     0.250161      0.094039      328.441  47.9221       408.594  47.4601      99.1583  46.0178       
1 1 1 17 11 8  o 0 4.51483  0.313395  0.414417      -1.37756     0.0502453     0.219134      81.7372  -17.0757      228.513  -51.2941     170.165  -66.1162      
1 1 1 17 11 9  o 0 4.67361  0.347328  -1.75077      0.595317     -0.267161     -0.059773     218.427  -173.105      169.807  167.202      74.5893  56.9941       
1 1 1 17 11 10 o 0 3.36325  0.368253  0.147308      0.310866     -0.013053     0.0145267     119.219  112.533       137.727  103.607      34.2004  73.8645       
1 1 1 17 11 11 o 0 2.95322  0.458447  -0.250967     -0.0455156   0.00463267    -0.000354432  70.5035  -7.45038      97.4142  -13.6531     19.2609  -40.5748      
1 1 1 17 11 12 o 0 2.87941  0.478075  -0.212009     -0.490194    -0.00140487   0.0100654     49.9635  -112.521      190.42   -112.934     134.592  -113.105      
1 1 1 17 11 13 o 0 0.193903 0.576081  0.152283      -0.142378    0.00054787    -0.00132294   35.8918  -13.1832      36.9001  168.516      76.7166  167.634       
1 1 1 17 12 0  o 0 1.41421  0.516364  -0.0682697    8.36036e-018 0             0             126.993  180           11.7417  180          103.816  -1.46239e-014 
1 1 1 17 12 1  o 0 17.8593  0.0875587 -0.399369     0.279176     0.324504      -0.115681     805.096  33.2387       671.907  32.2298      66.7361  -136.55       
1 1 1 17 12 2  o 0 1.73256  0.312349  -0.0467314    -0.0123742   0.00952014    -0.0502773    128.442  -59.8372      94.3756  121.849      212.536  120.912       
1 1 1 17 12 3  o 0 6.03788  0.131204  1.42761       -1.39815     5.03604       4.85404       240.227  6.79518       265.099  25.932       91.4886  78.5841       
1 1 1 17 12 4  o 0 3.75089  0.470875  6.41012       0.424791     -1.54366      -0.348558     153.131  -26.9816      132.432  12.5328      93.1873  88.2984       
1 1 1 17 12 5  o 0 4.48476  0.187672  -0.286858     0.00864824   -0.0283729    0.0212011     163.425  -50.9045      39.0265  -130.878     150.361  143.904       
1 1 1 17 12 6  o 0 12.8621  0.286222  -0.81351      2.3791       0.0881008     0.599669      475.371  72.0376       640.656  73.696       207.556  77.1628       
1 1 1 17 12 7  o 0 7.99177  0.200439  1.33174       -0.383563    -0.247333     -0.117027     314.94   33.9794       362.373  26.7662      84.1162  1.23298       
1 1 1 17 12 8  o 0 6.73016  0.311532  -1.42664      -0.789434    -0.156277     -0.0522821    259.191  178.992       304.048  -171.964     77.8891  -143.156      
1 1 1 17 12 9  o 0 4.3436   0.65297   -0.968249     -0.0598349   -0.0214404    0.0195423     127.69   161.549       220.777  168.015      108.644  174.779       
1 1 1 17 12 10 o 0 3.687    0.380035  0.661308      0.394269     0.0399311     -0.00130878   97.319   -36.6666      177.019  -15.618      100.96   2.36371       
1 1 1 17 12 11 o 0 2.72239  0.674954  0.18012       -0.612034    0.00797273    -0.0159925    23.7316  135.748       58.6364  -94.2235     78.2799  -79.2517      
1 1 1 17 12 12 o 0 3.0793   1.3586    0.141524      -0.103472    0.000510779   0.000696325   74.7637  46.6147       193.342  42.2897      112.509  39.1686       
1 1 1 17 13 0  o 0 2.66458  0.3892    0.109282      0            0             0             328.416  3.66808e-015  68.2109  0            219.022  -180          
1 1 1 17 13 1  o 0 14.7177  0.530966  3.17664       -19.2253     6.37063       3.55209       604.059  -115.632      595.068  -125.343     113.616  -177.697      
1 1 1 17 13 2  o 0 4.07789  0.221052  -0.605173     2.37352      0.777649      0.655414      167.072  98.1641       77.6208  85.7666      74.5748  -68.9234      
1 1 1 17 13 3  o 0 6.31107  0.218278  0.531622      -0.813489    -0.0171876    0.224813      353.14   -90.5997      120.839  -79.4718     198.366  82.6484       
1 1 1 17 13 4  o 0 3.51558  0.368097  -0.28132      0.880741     0.0765103     0.0329037     136.783  135.637       59.7182  91.783       89.8462  -16.9436      
1 1 1 17 13 5  o 0 5.07303  0.443405  0.197568      -2.53959     0.319689      0.134728      95.6184  -99.3049      272.316  -93.2477     188.878  -90.5542      
1 1 1 17 13 6  o 0 4.51628  0.203782  -0.0115975    0.438349     -0.452263     -0.37927      321.197  6.07873       44.8773  10.2306      239.205  -174.7        
1 1 1 17 13 7  o 0 2.42095  0.336545  -0.158049     0.770476     0.0465886     0.237341      10.7257  -116.122      69.4203  96.9171      77.581   93.0781       
1 1 1 17 13 8  o 0 4.71436  0.43854   1.65233       -1.74702     -0.133183     0.236578      251.491  -57.0769      137.382  -55.0099     87.2007  119.665       
1 1 1 17 13 9  o 0 1.62819  0.561764  -0.267448     0.262692     -0.0244961    -0.0294252    88.394   -89.6357      30.1869  121.722      103.109  99.1275       
1 1 1 17 13 10 o 0 0.578082 0.700841  -0.254085     -0.00835559  0.001519      -0.0104205    57.568   -128.367      40.3182  58.1706      89.8422  54.5616       
1 1 1 17 13 11 o 0 2.62299  0.491614  -0.477442     0.262903     0.013735      -0.00843315   73.8589  72.6531       143.113  89.1907      71.9759  107.123       
1 1 1 17 13 12 o 0 1.58689  0.764521  -0.267066     0.359961     0.00961979    -0.00129246   43.111   78.6397       47.3737  107.512      23.1923  178.127       
1 1 1 17 14 0  o 0 18.8494  0.131707  -0.886981     1.0862e-016  0             0             600.063  -3.18714e-015 695.028  0            192.835  8.30013e-015  
1 1 1 17 14 1  o 0 7.22496  0.122193  0.00874797    0.406658     -0.473303     -0.150587     285.909  54.4062       234.654  80.5301      108.016  161.36        
1 1 1 17 14 2  o 0 12.6596  0.263754  -1.7457       -1.95134     0.715891      -0.644788     510.004  -151.247      479.895  -158.404     72.1032  152.737       
1 1 1 17 14 3  o 0 13.1617  0.606717  0.519278      11.0042      2.95842       0.762815      545.83   50.9196       558.139  52.6984      101.368  60.7605       
1 1 1 17 14 4  o 0 8.34098  0.118725  0.769879      -0.523576    -0.521578     -0.0219482    280.883  -69.6277      390.833  -69.8394     153.773  -70.1658      
1 1 1 17 14 5  o 0 7.54669  0.133006  -0.537813     -0.172128    0.497511      0.0556418     305.592  -50.5473      303.088  -47.2513     46.6722  -28.6241      
1 1 1 17 14 6  < 0 0        1.14018   -0.0650984    0.324188     0.0361376     0.0477022     ?        ?             31.8628  -119.248     ?        ?             
1 1 1 17 14 7  o 0 4.68069  0.297473  0.448115      -0.842512    -0.0079596    0.0824369     241.093  -142.178      138.059  -114.693     105.462  0.653989      
1 1 1 17 14 8  o 0 4.18038  0.248963  0.480161      -0.562631    0.068827      -0.0155898    210.745  61.2613       135.345  44.8533      58.695   -78.0945      
1 1 1 17 14 9  o 0 2.36809  1.07114   0.599841      -0.597456    -0.0415046    0.0305649     103.602  -76.8126      63.708   -55.9715     34.8098  62.5602       
1 1 1 17 14 10 o 0 4.45406  0.46911   0.26898       0.799152     0.00811871    0.0228118     169.728  69.3785       235.121  69.2959      59.1389  69.0501       
1 1 1 17 14 11 o 0 1.48223  0.721807  0.251397      -0.327434    0.0101538     -0.00216914   28.2749  88.1367       21.1352  -26.422      42.1127  -64.7037      
1 1 1 17 14 12 o 0 2.30217  0.539329  0.176484      -0.440339    -0.00292084   -0.00362996   44.6322  -173.373      90.0562  -144.981     54.7358  -121.898      
1 1 1 17 15 0  o 0 19.5167  0.134847  1.09132       0            0             0             843.585  -1.58697e-015 707.082  0            51.3013  2.02861e-014  
1 1 1 17 15 1  o 0 10.6978  0.393014  2.00079       -5.26621     0.759328      1.78214       501.374  -101.521      376.641  -104.339     26.7218  122.34        
1 1 1 17 15 2  o 0 13.4286  0.208762  0.723178      -1.44532     0.364253      0.0198441     515.659  -36.5313      570.364  -36.7162     159.185  -37.1938      
1 1 1 17 15 3  o 0 3.141    0.254832  0.029869      0.049556     0.000606652   -0.000529994  142.449  -30.4848      43.9268  -24.0046     71.0813  145.516       
1 1 1 17 15 4  o 0 3.14501  0.370683  -0.219713     0.276016     -0.000704379  0.0139849     79.8073  95.3789       68.3274  110.718      18.1198  -178.647      
1 1 1 17 15 5  o 0 10.5485  0.117379  -0.607842     0.489046     0.109857      0.0182054     416.774  139.784       440.002  140.984      100.887  145.024       
1 1 1 17 15 6  o 0 5.09023  0.429228  -0.337395     -3.03367     0.397555      0.0876537     285.521  -139.114      139.732  -113.465     123.57   11.581        
1 1 1 17 15 7  o 0 5.94069  0.347392  1.0462        2.9228       0.522664      0.399525      280.127  99.5607       220.64   82.8924      64.1063  0.386339      
1 1 1 17 15 8  < 0 0        1.21432   -0.400876     0.0463047    -0.0125775    0.0468639     ?        ?             66.9476  -106.556     ?        ?             
1 1 1 17 15 9  o 0 2.93208  0.34069   0.127409      0.371827     -0.0138853    0.0148573     47.9704  -45.0892      61.1346  -9.30177     37.5341  27.1758       
1 1 1 17 15 10 o 0 2.06865  0.960316  -0.500289     0.084094     -0.0108321    -0.0108579    86.5017  -105.517      73.9573  -128.409     32.9244  135.386       
1 1 1 17 15 11 o 0 1.87977  0.886438  -0.036513     0.523313     0.00121873    -0.0126272    107.256  109.481       46.7489  102.502      58.0641  -64.9056      
1 1 1 17 16 0  o 0 2.70185  0.426728  -0.0950923    1.16451e-017 0             0             117.283  -180          59.0095  -180         27.4625  4.50707e-013  
1 1 1 17 16 1  o 0 4.04187  0.217234  -0.167301     0.0242571    -0.0207944    -0.0452585    303.382  -65.4779      26.2341  -78.7537     202.021  116.231       
1 1 1 17 16 2  o 0 5.49091  0.155563  -0.415447     6.39559e-005 0.554395      0.0597364     213.336  175.175       197.518  179.264      37.7266  -162.905      
1 1 1 17 16 3  o 0 5.24561  0.174858  1.34472       -0.401079    0.589662      1.13119       147.432  46.1154       243.927  22.1629      147.889  4.07751       
1 1 1 17 16 4  o 0 2.00438  0.433408  0.0375438     1.21941      0.218331      0.0766788     120.748  84.4471       6.91241  74.9286      86.5368  -94.796       
1 1 1 17 16 5  o 0 6.6123   0.413951  1.39736       -5.44086     0.689909      0.984135      405.22   -72.5313      148.522  -86.9819     175.397  119.668       
1 1 1 17 16 6  o 0 4.10203  0.263762  -0.160639     0.926607     0.0483638     0.100318      225.136  2.38873       100.022  45.1145      123      148.902       
1 1 1 17 16 7  o 0 4.79971  0.376576  -1.50005      0.861057     0.11474       0.160448      202.05   144.669       177.809  150.072      29.5601  179.168       
1 1 1 17 16 8  o 0 2.02605  0.432549  0.305289      0.0310063    0.0226895     0.0105803     125.166  48.5288       16.064   2.76481      84.4248  -123.636      
1 1 1 17 16 9  o 0 2.16432  0.88549   0.0246145     -0.892976    0.0167048     0.0566527     129.224  -116.132      41.0707  -87.6144     88.5104  51.0683       
1 1 1 17 16 10 f 1 2.99782  0.83857   0.0916574     0.94636      0.0089558     0.0258012     103.118  85.0296       153.038  84.1694      58.8958  82.7937       
1 1 1 17 16 11 o 0 2.27428  0.563845  0.454831      0.3374       0.00715033    0.00315098    149.132  -15.2908      50.8494  3.51396      91.3516  154.373       
1 1 1 17 17 0  o 0 0        1.92354   0.041187      0            0             0             211.124  180           0        0            147.007  -9.73528e-014 
1 1 1 17 17 1  o 0 7.15542  0.197137  -0.586026     -0.338342    0             0             455.267  -150          236.61   -150         86.4106  30            
1 1 1 17 17 2  o 0 3.6606   0.324974  -0.0842564    -0.145936    0             0             168.474  -120          109.88   -120         11.411   60            
1 1 1 17 17 3  o 0 2.48998  0.452238  4.11189e-017  0.134309     0             0             289.77   90            78.2144  90           132.773  -90           
1 1 1 17 17 4  o 0 0.948683 0.709526  -0.0160857    0.0278612    0             0             84.3289  -60           4.30571  -60          57.6381  120           
1 1 1 17 17 5  o 0 1.76068  0.574562  0.0692956     -0.0400078   0             0             132.752  -30           30.9928  -30          67.1917  150           
1 1 1 17 17 6  o 0 2.36643  0.510977  -0.323772     3.96493e-017 0             0             184.798  180           78.6832  180          53.5249  -3.02502e-015 
1 1 1 17 17 7  o 0 4.53872  0.337493  0.85047       0.491019     0             0             43.9168  -150          37.9794  30           69.5195  30            
1 1 1 17 17 8  o 0 3.09839  0.447068  -0.207398     -0.359224    0             0             60.9322  -120          108.543  -120         53.7944  -120          
1 1 1 17 17 9  o 0 2.21359  0.616134  2.8858e-017   0.0942606    0             0             70.6957  90            80.4203  90           18.1682  90            
1 1 1 17 17 10 o 0 3.78153  0.488125  -0.0583862    0.101128     0             0             126.147  -60           164.074  -60          53.0971  -60           
1 1 1 18 0  0  o 0 5.65685  0.163163  -0.102264     1.25233e-017 0             0             576.093  2.35776e-014  107.272  0            412.944  -180          
1 1 1 18 0  1  o 0 18.0167  0.0993581 -0.849949     -1.47215     0             0             916.603  -120          694.062  -120         113.641  60            
1 1 1 18 0  2  o 0 1.92354  0.250978  -0.0556276    0.0963498    0             0             300.548  120           30.1175  120          304.752  -60           
1 1 1 18 0  3  o 0 15.3199  0.103734  0.853115      0            0             0             190.008  -2.8448e-015  705.685  0            497.554  1.19e-015     
1 1 1 18 0  4  o 0 2.84605  0.134079  0.0296301     0.0513208    0             0             102.99   60            22.9075  60           88.5356  -120          
1 1 1 18 0  5  o 0 1.51657  0.36342   -0.0164314    0.02846      0             0             430.472  -60           15.2537  -60          446.567  120           
1 1 1 18 0  6  o 0 8.42615  0.140066  -0.0548545    6.71752e-018 0             0             285.295  -180          377.058  -180         75.4141  180           
1 1 1 18 0  7  o 0 9.78775  0.150908  0.27394       0.474477     0             0             378.944  60            471.942  60           56.4356  60            
1 1 1 18 0  8  o 0 14.7241  0.141261  0.402038      -0.69635     0             0             681.031  -60           704.896  -60          35.1031  120           
1 1 1 18 0  9  o 0 8.14862  0.203479  0.0441072     0            0             0             510.519  -180          383.992  -180         163.713  3.36427e-015  
1 1 1 18 0  10 o 0 8.09321  0.228237  0.0920126     0.159371     0             0             248.916  -120          387.379  -120         131.559  -120          
1 1 1 18 0  11 o 0 2.02485  0.725981  -0.00295968   0.00512631   0             0             80.688   120           31.3527  120          49.6317  -60           
1 1 1 18 0  12 o 0 7.35527  0.312716  -0.128909     1.57863e-017 0             0             277.632  -9.5112e-016  333.535  0            63.2528  4.06418e-015  
1 1 1 18 0  13 o 0 3.44964  0.618094  0.0139971     0.0242436    0             0             219.281  60            149.632  60           48.1334  -120          
1 1 1 18 0  14 o 0 2.73861  0.750272  -0.0327117    0.0566583    0             0             81.0604  -60           129.227  -60          43.8833  -60           
1 1 1 18 0  15 o 0 2.28035  0.870226  0.289617      0            0             0             46.6211  180           48.6166  180          2.11607  -180          
1 1 1 18 1  0  o 0 8.13634  0.0971572 0.265821      0            0             0             191.583  1.11623e-013  280.351  0            64.1795  -3.75973e-013 
1 1 1 18 1  1  o 0 22.3363  0.239362  -12.718       -0.575236    -13.598       -8.54572      549.444  107.444       1544.04  118.916      957.013  126.161       
1 1 1 18 1  2  o 0 20.1886  0.286431  6.71997       6.20959      1.36417       -5.09504      804.189  -179.891      1341.41  114.694      1259.52  75.6821       
1 1 1 18 1  3  o 0 12.1464  0.392278  -8.49296      12.8125      1.63701       6.0617        337.388  78.3438       726.834  77.5552      366.083  76.778        
1 1 1 18 1  4  o 0 20.6139  0.694569  -23.8816      -31.9768     1.71513       -11.1641      463.426  -90.452       1381.55  -97.4888     896.03   -101.34       
1 1 1 18 1  5  o 0 5.87     0.553872  -21.1636      13.4428      -4.31868      11.0047       134.114  -119.856      376.282  -176.838     321.859  161.54        
1 1 1 18 1  6  o 0 6.45072  1.06568   -29.8038      -24.7316     -1.03689      -7.00827      333.027  127.385       624.872  -121.581     827.532  -97.4274      
1 1 1 18 1  7  o 0 6.26099  0.132119  0.201723      -0.20719     0.331805      -0.364294     250.449  -23.9751      236.791  -27.2171     37.9947  176.662       
1 1 1 18 1  8  o 0 9.73744  0.215742  1.80492       0.40081      -0.321745     -0.0412846    450.026  21.0471       379.956  21.5285      106.37   -160.673      
1 1 1 18 1  9  o 0 3.50831  0.275641  0.34739       -0.452168    -0.0595647    0.191079      109.738  -164.457      98.329   -46.1617     185.623  -12.2601      
1 1 1 18 1  10 o 0 3.77972  0.308686  -0.0338851    0.109067     -0.00229642   -0.0216527    83.9838  112.313       124.474  112.253      37.8736  112.117       
1 1 1 18 1  11 o 0 3.97256  0.551534  0.305685      0.235893     0.00234758    -0.00640171   112.226  7.16046       159.206  15.6852      49.833   35.4275       
1 1 1 18 1  12 f 1 4.20587  0.445628  -0.75488      -0.600085    -0.0526067    0.00896138    201.217  129.879       169.956  147.025      56.2888  -113.009      
1 1 1 18 1  13 o 0 1.73866  0.672906  0.0147076     -0.134741    -0.000759625  -0.00155789   44.9313  -96.6923      10.6701  -84.5185     30.9145  79.1338       
1 1 1 18 1  14 f 1 0.904353 0.774983  0.104565      0.153943     -0.00096854   0.00136902    79.9498  170.121       44.9716  -0.452776    129.409  -6.61633      
1 1 1 18 1  15 < 0 0        1.68819   -0.449675     0.246675     0.0016252     -0.00280141   ?        ?             23.3386  -112.488     ?        ?             
1 1 1 18 2  0  o 0 26.1017  0.120128  -0.628125     7.69206e-017 0             0             1018.77  180           1251.82  180          134.194  -180          
1 1 1 18 2  1  f 1 6.29822  0.852305  -53.2594      36.793       -7.41086      21.5972       344.152  118.287       259.83   -151.93      447.189  -97.2358      
1 1 1 18 2  2  o 0 14.113   1.48837   -79.8148      -78.9154     0.5705        -20.8277      704.106  -146.777      558.644  -130.312     263.578  -3.69745      
1 1 1 18 2  3  o 0 5.26958  0.0805906 1.56111       0.255264     -2.05021      0.0500115     124.526  20.0718       116.727  81.4881      126.849  146.166       
1 1 1 18 2  4  o 0 10.8088  0.10567   1.57893       1.03288      0.198042      -1.40101      243.584  14.2728       570.699  -10.2245     355.65   -27.4383      
1 1 1 18 2  5  o 0 8.45571  1.67727   1e-030        0            0             0             439.673  171.667       156.762  171.667      300.247  -8.33256      
1 1 1 18 2  6  o 0 8.83026  0.26918   3.10618       -2.84602     -0.415284     1.31933       481.06   -133.425      382.991  -78.3296     433.496  0.143244      
1 1 1 18 2  7  o 0 6.5153   0.382949  -7.9072       3.74151      -2.56358      2.41112       326.641  -164.539      188.678  173.967      189.134  36.8998       
1 1 1 18 2  8  f 1 9.42789  0.16841   2.9572        1.48211      -0.420217     -2.24342      379.629  162.591       565.187  105.405      484.5    61.2296       
1 1 1 18 2  9  o 0 11.1657  0.120309  -0.983344     -0.617174    0.907942      0.101665      400.427  167.038       583.414  -177.656     204.458  -144.089      
1 1 1 18 2  10 o 0 5.40227  0.239135  -0.536879     0.354668     -0.141352     0.0317773     197.909  0.36762       238.672  12.3438      57.3845  60.0281       
1 1 1 18 2  11 o 0 6.39571  0.230206  0.15338       0.285864     -0.0334529    0.0203801     203.758  -129.481      336.809  -129.865     129.352  -130.481      
1 1 1 18 2  12 o 0 2.02389  0.579741  -0.153309     0.0422907    0.000190981   -0.00379732   87.1857  94.9292       24.3924  123.585      63.3239  -95.7158      
1 1 1 18 2  13 o 0 2.50512  1.14409   0.117345      -0.0839155   -0.000965885  7.66873e-005  74.764   124.014       49.9433  118.427      20.606   -42.3382      
1 1 1 18 2  14 o 0 3.70907  0.655123  0.314437      0.290867     0.00302298    0.000678365   41.6924  143.345       246.082  130.051      201.74   127.055       
1 1 1 18 3  0  f 1 20.0125  0.109332  1.66443       0            0             0             772.088  -2.02668e-014 936.769  0            122.674  1.34496e-013  
1 1 1 18 3  1  o 0 4.87008  0.156594  -3.33982      1.40163      -2.04791      1.49002       119.379  44.3201       245.087  138.582      283.694  164.832       
1 1 1 18 3  2  f 1 6.35978  0.170623  -2.72716      3.66999      1.06769       2.18912       232.608  -163.909      262.572  156.415      171.504  93.9029       
1 1 1 18 3  3  o 0 15.991   0.0997884 -0.479674     3.8921       3.41152       7.27087       417.538  57.1717       1014.83  34.5369      639.239  19.5112       
1 1 1 18 3  4  o 0 3.92892  0.146058  0.137012      -0.0581737   0.219176      -0.623537     112.542  -46.9046      20.2189  75.0934      127.451  125.363       
1 1 1 18 3  5  o 0 18.1008  0.095045  -1.26795      -1.71827     -5.58634      3.1354        890.563  -89.2921      725.2    -108.971     331.481  138.162       
1 1 1 18 3  6  o 0 2.36948  0.466464  4.47436       2.71119      -0.8837       -1.39731      45.5385  -124.471      203.994  38.6837      250.819  41.8968       
1 1 1 18 3  7  o 0 14.595   0.171989  2.31666       1.74834      0.667186      -1.77537      739.234  -13.0666      555.023  -14.2838     234.529  169.815       
1 1 1 18 3  8  o 0 2.91663  0.291862  0.488094      0.120564     -0.0862147    -0.0147101    181.794  107.928       109.245  -37.8866     291.147  -59.9012      
1 1 1 18 3  9  o 0 4.43027  0.239013  0.160762      -0.217052    -0.142818     0.019373      222.421  -87.0439      50.3424  -67.199      190.62   87.8124       
1 1 1 18 3  10 o 0 6.42785  0.19867   -0.200278     -0.0237527   0.00485873    0.0370561     199.25   42.7911       350.731  44.7969      145.05   47.646        
1 1 1 18 3  11 f 1 5.20608  0.449641  2.02          -0.994651    0.0392532     0.238011      93.7816  -137.705      319.978  -67.5223     301.356  -50.3765      
1 1 1 18 3  12 o 0 1.29071  0.743762  -0.374716     -0.145835    -0.0187557    0.00690864    55.7803  -88.3908      26.5878  144.858      73.0405  108.567       
1 1 1 18 3  13 o 0 1.96383  0.923184  -0.219315     -0.57273     -0.00786939   -0.0205933    86.6933  -154.941      52.6218  -112.418     72.7085  -4.22612      
1 1 1 18 3  14 o 0 2.23075  1.08014   0.237023      0.118487     0.000825      -0.00236396   20.003   -161.1        22.7836  -172.087     4.34212  108.734       
1 1 1 18 4  0  o 0 4.43847  0.152389  0.206592      0            0             0             226.711  -180          36.1633  -180         201.344  4.38622e-014  
1 1 1 18 4  1  o 0 9.56396  0.688916  -28.4192      25.1154      -0.651677     10.002        442.517  161.342       366.81   146.75       138.12   23.3385       
1 1 1 18 4  2  o 0 8.05476  0.162798  -0.120723     7.63732      6.38843       -1.12499      379.506  173.37        340.847  142.112      201.693  54.6405       
1 1 1 18 4  3  o 0 10.2862  0.224028  -3.5529       -0.751666    -1.43237      -1.188        574.416  146.284       275.293  139.517      312.117  -27.7505      
1 1 1 18 4  4  o 0 5.14776  0.373166  0.152621      8.01627      3.10961       0.196123      274.524  55.3543       121.129  57.9508      155.227  -126.672      
1 1 1 18 4  5  o 0 13.9598  0.496493  -4.28391      -5.34081     0.417121      -0.965408     553.791  -143.872      670.121  -140.284     96.1723  -118.019      
1 1 1 18 4  6  o 0 2.62117  0.306163  1.6731        0.0377992    -0.430086     -0.0845617    84.0121  41.1257       85.5582  -24.5671     94.4983  -83.2724      
1 1 1 18 4  7  o 0 4.75559  0.337598  4.16419       0.534306     -1.15576      -0.129593     56.2739  113.546       333.513  14.4749      347.914  4.74024       
1 1 1 18 4  8  o 0 4.13487  0.402851  3.34158       1.5741       -0.405971     -0.690086     50.0187  -128.273      325.984  22.3603      373.172  26.3618       
1 1 1 18 4  9  o 0 2.06828  0.945692  0.387603      -0.630261    0.0138972     0.0522436     100.759  85.2323       88.7516  -65.6718     186.96   -81.4212      
1 1 1 18 4  10 < 0 0        1.36918   0.0245411     0.0904679    -0.0206663    0.00907558    ?        ?             55.3984  -155.84      ?        ?             
1 1 1 18 4  11 o 0 5.64593  0.254887  -0.611438     0.338964     -0.0347531    -0.111632     245.585  -177.1        244.25   172.895      43.8568  78.2675       
1 1 1 18 4  12 o 0 1.17203  0.745398  0.12991       0.374713     -0.00737549   -0.0196722    41.3091  56.3163       5.84711  167.171      42.6145  -131.05       
1 1 1 18 4  13 < 0 0        1.52741   -0.153115     -0.312428    0.00405663    0.0104744     ?        ?             75.8203  -67.8394     ?        ?             
1 1 1 18 4  14 o 0 2.0825   0.523264  0.138914      0.0636926    0.000732725   7.74479e-005  24.116   -170.233      36.2232  -177.228     9.66355  162.604       
1 1 1 18 5  0  o 0 3.33167  0.211282  0.135614      0            0             0             136.003  1.48184e-014  44.855   0            94.7171  -180          
1 1 1 18 5  1  o 0 7.18767  0.144745  -1.04405      1.4469       0.0402898     0.622414      202.008  177.911       264.057  134.148      183.217  83.3654       
1 1 1 18 5  2  o 0 6.34081  0.660279  9.69331       -19.4159     3.88584       5.82633       373.616  -67.7254      119.642  -102.828     286.912  126.149       
1 1 1 18 5  3  o 0 5.63002  0.097834  0.354721      1.11342      2.8062        0.0927286     378.629  38.6992       186.072  -48.8056     415.401  -114.717      
1 1 1 18 5  4  o 0 9.57456  0.402562  -5.57221      3.65089      -0.822165     1.32689       288.136  134.789       507.019  135.535      208.111  136.607       
1 1 1 18 5  5  o 0 9.19718  0.421391  -12.6803      2.04044      -3.65993      1.79364       450.219  -173.572      330.581  -159.382     168.374  -22.3409      
1 1 1 18 5  6  f 1 24.7297  0.197531  -4.02473      -1.95903     0.972406      -3.48526      983.277  155.524       1242.74  156.356      232.386  159.978       
1 1 1 18 5  7  o 0 10.2835  0.11332   0.170568      0.436468     -0.00548489   -0.171824     370.417  106.589       487.711  105.554      99.3698  101.503       
1 1 1 18 5  8  o 0 4.3338   0.225194  -0.0797002    0.0901012    -0.0439146    -0.052158     208.448  113.179       30.3088  125.005      190.1    -68.693       
1 1 1 18 5  9  o 0 1.56692  0.744897  0.890915      0.600364     -0.0246309    -0.103928     54.213   -101.974      96.5393  46.2708      146.986  57.8039       
1 1 1 18 5  10 o 0 5.67299  0.251036  0.503534      0.0721718    -0.0116215    -0.0313599    295.225  -36.4849      202.753  -30.1841     104.694  131.244       
1 1 1 18 5  11 o 0 2.46995  0.476623  0.108127      0.363091     -0.0137921    0.0224837     28.759   -103.87       11.0943  65.9124      39.3026  73.2596       
1 1 1 18 5  12 o 0 3.54723  0.393518  0.213888      -0.116046    -0.00264664   -0.00372591   99.0837  -7.34555      170.226  -10.2867     73.8943  -14.1339      
1 1 1 18 5  13 o 0 1.97261  0.635091  -0.0482882    -0.268532    -0.00281669   0.00211351    105.06   149.483       60.8472  165.054      66.6076  -44.7109      
1 1 1 18 5  14 f 1 2.21053  0.586111  -0.0479502    0.0122349    7.92271e-007  4.23159e-005  36.991   84.5003       82.7008  88.172       41.1325  91.8981       
1 1 1 18 6  0  o 0 11.8996  0.10413   0.228718      0            0             0             371.781  -2.28099e-014 501.328  0            127.549  6.6844e-014   
1 1 1 18 6  1  o 0 18.9775  0.374509  -1.80759      -7.65951     3.0273        -0.462253     678.26   -135.451      930.182  -143.71      277.8    -164.202      
1 1 1 18 6  2  o 0 11.8375  0.0755344 -0.255835     -0.0783879   0.240592      0.0864274     374.518  -7.47507      586.365  -5.9335      218.037  -3.32622      
1 1 1 18 6  3  o 0 9.81269  0.0988369 -1.55501      -0.441202    -0.658551     -1.73214      368.441  66.0853       583.205  128.322      526.815  167.679       
1 1 1 18 6  4  o 0 14.1733  0.237797  3.0136        -10.0106     7.59504       1.92781       577.476  -7.2802       674.3    -12.9405     103.491  -47.2684      
1 1 1 18 6  5  o 0 10.9389  0.131476  -0.271222     -1.85354     0.70299       -0.632775     334.606  165.447       593.184  -178.503     279.403  -158.612      
1 1 1 18 6  6  o 0 3.04335  0.72217   5.53196       -3.21091     -0.724865     1.10956       269.813  -53.0646      73.4776  74.2896      328.461  116.693       
1 1 1 18 6  7  o 0 4.15381  0.369002  3.92118       0.157685     -0.961605     0.0649091     225.186  61.0737       166.859  -14.1631     250.333  -78.7947      
1 1 1 18 6  8  o 0 1.33886  0.497435  -0.00320567   -0.166251    0.0305946     -0.0606154    77.6301  -139.551      46.0685  31.7499      122.386  37.1851       
1 1 1 18 6  9  o 0 6.10253  0.197773  0.362839      -0.226059    -0.130156     -0.100469     57.9139  54.6605       281.452  38.8455      225.069  34.7346       
1 1 1 18 6  10 o 0 5.83145  0.228382  -0.11745      0.249156     -0.0210555    -0.0268264    225.193  146.17        274.753  142.744      46.8006  125.631       
1 1 1 18 6  11 o 0 2.61428  1.17599   -0.0831982    -0.046138    -0.000319563  -0.000110053  221.991  -39.5295      4.64892  -142.106     219.022  141.658       
1 1 1 18 6  12 < 1 0        1.47469   -0.0647331    0.0314263    0.00142861    -0.000582406  ?        ?             51.6702  -10.8162     ?        ?             
1 1 1 18 6  13 f 1 2.50948  0.568876  -0.205711     -0.195764    -8.97804e-005 0.00198327    112.463  -94.107       123.696  -99.6022     13.783   145.145       
1 1 1 18 6  14 o 0 0.248404 0.621384  -0.00694643   -0.185149    -0.000608661  -0.00058097   44.8565  145.339       50.9397  -37.1417     102.627  -35.8921      
1 1 1 18 7  0  f 1 11.9917  0.111536  0.317502      0            0             0             493.993  -180          515.675  -180         40.6895  180           
1 1 1 18 7  1  o 0 8.11276  0.0881026 -0.908465     -0.82358     -1.28714      -1.283        393.649  -67.9898      285.558  -80.5605     121.137  142.878       
1 1 1 18 7  2  f 1 14.2491  0.111808  -2.00338      2.51636      2.03535       1.84919       498.11   -176.286      743.681  -175.046     247.888  -172.562      
1 1 1 18 7  3  o 0 4.51519  0.290926  0.601377      -0.554347    0.000897149   0.0431152     219.775  88.9935       116.956  -23.2325     287.342  -68.8719      
1 1 1 18 7  4  o 0 8.69818  0.170648  -1.50877      1.4604       -0.354615     0.822174      380.964  46.8366       378.731  82.5508      234.302  156.176       
1 1 1 18 7  5  o 0 7.83671  0.112492  0.63443       -0.305762    -1.14553      -0.251647     307.754  -82.5361      342.245  -75.5373     49.9381  -25.9131      
1 1 1 18 7  6  o 0 10.6197  0.0986044 -0.377503     1.06544      0.920613      -0.242958     335.654  -167.558      573.135  170.014      287.966  143.035       
1 1 1 18 7  7  o 0 4.62456  0.199541  -0.462469     -0.170985    0.225964      -0.409958     145.631  101.638       132.945  173.476      166.247  -127.813      
1 1 1 18 7  8  o 0 5.78723  0.349974  -1.36652      2.31668      0.0735173     0.621684      233.833  102.535       267.772  102.219      32.2661  99.9101       
1 1 1 18 7  9  o 0 3.13925  0.349039  -0.516659     0.29582      0.016442      0.0598348     171.903  151.196       60.2293  154.409      113.909  -30.502       
1 1 1 18 7  10 o 0 2.38307  0.454796  -0.137387     -0.0212631   0.00273976    0.00918966    170.858  117.829       29.9568  -83.6107     201.537  -65.2853      
1 1 1 18 7  11 o 0 2.35062  0.504783  0.398369      0.298628     -0.019087     0.0251869     174.801  55.2482       18.6316  31.0862      153.675  -121.907      
1 1 1 18 7  12 o 0 2.47851  0.518751  0.211866      0.135782     0.00274804    0.000930642   102.573  -39.5697      79.672   -21.4723     54.4268  113.383       
1 1 1 18 7  13 < 0 0        1.58832   -0.00853257   0.0260332    2.61232e-005  -7.69326e-005 ?        ?             30.1106  152.981      ?        ?             
1 1 1 18 8  0  o 0 1.51657  0.424121  0.0332152     0            0             0             243.929  2.62708e-014  20.93    0            222.09   -180          
1 1 1 18 8  1  o 0 8.43971  0.230909  -2.72588      0.657423     -0.847187     0.213953      113.438  -133.182      473.389  -168.859     387.348  -178.642      
1 1 1 18 8  2  o 0 14.8543  0.167238  -0.334045     2.95152      1.10828       -0.295166     923.108  123.607       357.494  130.262      563.43   -60.6101      
1 1 1 18 8  3  o 0 6.46527  0.436538  9.30739       8.73811      -0.639807     -4.0344       227.989  -11.0191      313.671  39.8204      244.865  85.6382       
1 1 1 18 8  4  o 0 4.27308  0.139054  0.0733623     0.197568     0.153402      0.82325       95.2038  -81.1804      32.5536  109.81       126.877  101.623       
1 1 1 18 8  5  o 0 4.12723  0.225963  -1.08681      -2.3448      0.503981      -0.862412     254.288  -106.172      27.9048  -76.8982     230.271  70.4308       
1 1 1 18 8  6  o 0 7.4865   0.314131  3.34179       -4.6812      0.271518      1.89879       354.171  -81.9684      252.365  -84.144      104.422  103.296       
1 1 1 18 8  7  f 1 7.86887  0.134196  0.25781       0.170299     0.131173      0.0927168     173.226  86.6527       342.23   72.5768      179.682  59.0573       
1 1 1 18 8  8  o 0 9.12025  0.240768  0.569231      -0.890371    0.108025      0.0481006     449.715  -60.0705      373.713  -58.8176     73.7659  113.57        
1 1 1 18 8  9  o 0 4.34781  0.32509   -0.827156     -0.169525    -0.0664105    0.0212296     170.581  -59.4055      172.157  -93.315      99.9286  -165.435      
1 1 1 18 8  10 o 0 4.48489  0.291952  -0.908227     0.273239     0.10085       0.0438151     52.9483  123.689       229.807  150.896      184.191  158.469       
1 1 1 18 8  11 o 0 2.52413  0.566138  -0.00590109   -0.00546931  1.092e-005    2.47943e-005  89.3479  -145.71       63.9925  -145.614     22.2602  34.0144       
1 1 1 18 8  12 o 0 0.872735 0.776688  -0.0905947    0.00144534   5.61713e-005  -0.00112726   72.9749  91.8809       64.3401  -92.1095     151.877  -89.8084      
1 1 1 18 8  13 o 0 2.46434  1.1532    -0.714872     -0.0733132   -0.0119233    0.010765      61.0327  -57.2919      129.958  -88.0038     77.7746  -115.875      
1 1 1 18 9  0  o 0 16.245   0.116126  0.80271       0            0             0             887.738  -180          694.944  -180         167.009  2.25701e-014  
1 1 1 18 9  1  o 0 10.7572  0.0846519 2.45333       1.01396      2.07483       -7.76115      473.338  134.928       449.798  139.823      40.2449  -117.558      
1 1 1 18 9  2  f 1 14.2137  0.368897  5.57963       -5.76056     -0.688393     3.25579       539.073  -16.276       642.693  -14.7289     127.03   -8.42524      
1 1 1 18 9  3  o 0 11.4137  0.167589  -0.60443      0.624869     0.0478296     0.111592      345.489  89.1822       568.122  95.117       235.754  103.61        
1 1 1 18 9  4  o 0 9.28201  0.0921651 0.0219183     0.667587     0.284094      0.253925      335.664  0.606503      410.481  18.5869      141.164  64.4543       
1 1 1 18 9  5  o 0 7.77305  0.113905  -0.281037     -0.13959     0.0134481     -0.0995517    330.526  140.142       267.872  148.123      70.1583  -71.8701      
1 1 1 18 9  6  o 0 3.68349  0.209987  -0.151509     -0.26003     0.00298459    -0.0294736    215.01   88.568        74.6882  -109.21      284.626  -96.0275      
1 1 1 18 9  7  o 0 2.53695  0.415167  -0.995179     -0.642741    -0.029271     -0.148656     106.358  61.1757       113.333  -154.194     206.378  -137.359      
1 1 1 18 9  8  o 0 2.37702  0.400848  0.248016      0.0680309    0.0906521     0.056532      3.97853  -176.603      28.6147  15.4352      32.4287  14.0017       
1 1 1 18 9  9  o 0 1.69255  0.526573  0.0290201     -0.0810588   -0.00278015   -0.00600634   95.7617  -10.3908      42.4498  177.198      136.373  171.965       
1 1 1 18 9  10 o 0 3.31853  0.550426  0.574468      -0.371009    -0.0316958    0.00171388    151.249  -154.301      116.729  -130.837     59.1898  -26.0409      
1 1 1 18 9  11 o 0 2.88949  0.451251  0.569487      0.589131     -0.00378862   0.0632524     115.471  113.712       112.001  80.7447      62.9944  9.06282       
1 1 1 18 9  12 o 0 3.25509  1.43657   1.04919       0.477067     -0.0330982    0.00858875    36.6201  -66.2335      227.195  -26.3181     196.49   -18.3379      
1 1 1 18 9  13 o 0 0.883733 0.653969  0.101261      0.168211     -0.00080328   0.00146737    49.5779  48.6358       19.298   -136.273     76.454   -132.602      
1 1 1 18 10 0  o 0 10.6583  0.129763  0.166608      0            0             0             592.198  6.7115e-015   442.961  0            115.691  -180          
1 1 1 18 10 1  o 0 9.54554  0.0932945 -0.79999      1.1508       -1.8737       2.56381       387.408  -89.5555      452.7    -129.511     291.413  176.5         
1 1 1 18 10 2  o 0 7.83628  0.24456   0.552131      2.49329      0.490223      -0.368259     422.943  125.612       216.328  104.072      215.893  -32.8028      
1 1 1 18 10 3  o 0 8.71134  0.0969681 -0.0364212    -1.46579     1.30242       0.896255      264.143  -134.306      434.472  -147.104     196.935  -163.561      
1 1 1 18 10 4  o 0 10.2259  0.411185  10.251        -5.88197     -1.37857      3.47617       325.562  -0.569582     504.04   0.550038     192.46   2.36372       
1 1 1 18 10 5  o 0 11.2598  0.100633  0.321418      -0.702408    -0.018327     -0.651615     465.873  -17.1415      469.33   -33.689      133.677  -106.557      
1 1 1 18 10 6  o 0 11.4214  0.195542  -1.00481      1.3591       0.371112      0.193648      306.471  103.072       681.564  106.737      393.009  109.436       
1 1 1 18 10 7  o 0 3.70381  0.617535  0.343079      -0.0302061   -0.00388417   5.63656e-005  192.267  -139.905      78.007   -122.277     111.164  27.8259       
1 1 1 18 10 8  o 0 2.49975  0.39408   0.0412296     0.393889     0.00806585    -0.0758594    106.741  9.84975       33.769   82.7928      97.8689  170.589       
1 1 1 18 10 9  o 0 3.99703  0.302791  0.0146012     -0.306136    -0.0357972    0.0279308     62.4807  -82.1766      140.807  -85.1712     80.6992  -87.4066      
1 1 1 18 10 10 o 0 1.45982  0.624446  -0.109404     -0.167218    -0.0067545    0.00411569    77.1853  100.733       30.268   -95.504      101.365  -84.0566      
1 1 1 18 10 11 o 0 3.8302   0.384142  -0.603605     -0.530366    0.0231201     0.0153628     95.9287  -111.657      252.002  -121.24      142.92   -128.727      
1 1 1 18 10 12 o 0 2.42917  0.916301  -0.108347     0.0320871    -0.000723309  -0.000480318  29.6336  -71.0504      84.6561  -78.7645     51.353   -83.8347      
1 1 1 18 10 13 o 0 2.28772  0.842309  -0.971279     -0.188201    -0.00270191   0.0189826     32.7166  90.0904       117.404  151.772      105.003  169.924       
1 1 1 18 11 0  o 0 1.09545  0.534727  0.0222755     0            0             0             155.637  4.1903e-014   6.86173  0            135.277  -180          
1 1 1 18 11 1  o 0 20.7329  0.132229  1.7832        0.481635     0.178579      -1.33879      864.016  145.71        862.476  138.809      120.485  86.3773       
1 1 1 18 11 2  o 0 17.3633  0.397164  6.48187       -8.34452     -0.156291     4.22715       708.237  -76.7006      740.036  -89.5989     178.027  -144.81       
1 1 1 18 11 3  f 1 7.81031  0.183698  -1.19259      1.90028      0.452763      0.508928      213.962  65.6771       350.795  89.6021      189.268  114.41        
1 1 1 18 11 4  f 1 3.18168  0.243228  0.443852      0.147386     -0.0303706    -0.043771     163.117  -52.0157      60.8823  75.048       192.985  113.404       
1 1 1 18 11 5  f 1 10.1392  0.109975  0.0903365     0.926036     -0.760227     0.765221      437.632  94.8891       404.811  76.2672      131.035  -4.53966      
1 1 1 18 11 6  f 1 6.95853  0.150475  -0.956596     -0.781367    -0.736386     -0.231        404.119  -97.0937      210.547  -98.4408     156.799  84.7152       
1 1 1 18 11 7  < 1 0        1.15088   -0.17063      0.0595674    0.0208384     -0.17045      ?        ?             100.37   91.7225      ?        ?             
1 1 1 18 11 8  o 0 4.60114  0.246725  -0.152369     0.317032     -0.0559356    0.0225835     120.557  100.49        202.384  102.072      89.6543  104.063       
1 1 1 18 11 9  o 0 4.2883   0.29359   0.249992      -0.623355    0.024069      -0.0383519    214.06   80.2171       150.668  73.5802      47.6102  -78.329       
1 1 1 18 11 10 o 0 1.50112  0.616203  0.194118      -0.0610899   -0.00229508   -0.00913833   37.41    140.715       19.7608  -24.6877     53.418   -33.9355      
1 1 1 18 11 11 < 0 0        1.47391   0.262671      0.197201     0.0134494     0.0120438     ?        ?             31.5346  -125.28      ?        ?             
1 1 1 18 11 12 f 1 2.42061  0.517214  0.49977       0.442614     -0.00787795   0.00997543    86.4219  -5.88162      129.976  8.85917      45.1536  41.2089       
1 1 1 18 12 0  o 0 10.2225  0.139915  0.19269       0            0             0             296.578  180           387.074  180          125.881  -180          
1 1 1 18 12 1  o 0 14.6567  0.103652  2.11          0.0724391    -0.957463     0.708196      693.848  -43.426       492.199  -44.7409     125.603  141.733       
1 1 1 18 12 2  o 0 7.87504  0.11985   1.83121       -0.157533    -0.845632     0.559653      434.559  36.1515       191.596  44.4338      201.778  -151.71       
1 1 1 18 12 3  o 0 2.18283  0.313839  0.0809852     -0.259786    -0.0165809    0.267917      103.551  116.231       86.9199  -65.9805     180.306  -64.8351      
1 1 1 18 12 4  o 0 7.06296  0.222874  -2.50092      1.75409      -1.41562      1.17738       311.448  124.33        253.391  91.0867      155.932  7.30636       
1 1 1 18 12 5  o 0 3.81852  0.215754  0.643172      0.024815     0.631713      -1.31028      133.699  -80.7492      189.076  -22.4101     162.162  16.3022       
1 1 1 18 12 6  o 0 2.24044  0.356247  0.328054      -0.318217    -0.0155479    0.0404412     228.766  -115.587      71.7463  44.2166      273.761  59.2222       
1 1 1 18 12 7  o 0 2.91154  0.304095  0.0377118     -0.293207    -0.0865865    0.0624979     168.332  -100.223      34.3573  -92.6705     118.176  77.5865       
1 1 1 18 12 8  o 0 5.4079   0.195591  -0.945878     0.678764     -0.272149     -0.00754044   174.866  107.091       255.795  115.356      100.93   128.457       
1 1 1 18 12 9  o 0 3.35764  1.32969   -0.120844     0.344862     0.0012988     0.00364017    121.596  9.19435       126.053  22.1322      32.3046  70.0781       
1 1 1 18 12 10 o 0 3.92247  0.51756   -0.608862     -0.176183    -0.00623702   0.0157206     89.3867  165.555       197.155  174.17       119.504  179.862       
1 1 1 18 12 11 o 0 3.26687  1.25088   -0.482145     -0.699553    0.0186182     -0.00233226   43.742   -21.3577      202.688  -50.6852     162.976  -58.8857      
1 1 1 18 12 12 o 0 2.53783  0.526559  0.0782005     -0.456219    -0.00378752   -0.00061335   72.5281  -80.2878      143.469  -80.3071     64.7427  -80.3305      
1 1 1 18 13 0  o 0 6.73053  0.187834  0.043772      0            0             0             314.967  180           232.282  180          34.1035  -6.34132e-016 
1 1 1 18 13 1  o 0 5.63321  0.20907   -0.857854     -1.18414     -0.0701544    -0.486375     167.778  80.8543       164.386  -160.881     264.652  -132.313      
1 1 1 18 13 2  o 0 6.99692  0.155771  -1.95268      -0.07563     -1.06114      0.70559       270.057  167.744       209.97   -153.917     147.334  -74.3906      
1 1 1 18 13 3  o 0 7.92083  0.118127  -0.403652     0.699044     0.574277      -0.804123     390.422  129.094       278.179  138.352      72.7669  -88.8605      
1 1 1 18 13 4  o 0 11.738   0.325305  1.11608       -2.35493     0.0668659     0.516539      456.711  -120.452      528.47   -114.229     145.874  -97.3283      
1 1 1 18 13 5  o 0 6.31865  0.485747  -5.70704      0.589986     -1.2313       -0.0687731    264.324  151.08        253.855  155.385      31.499   -171.692      
1 1 1 18 13 6  o 0 2.60749  0.408489  -1.29634      -0.745458    -0.229624     -0.148718     127.938  -110.363      62.3153  -152.356     77.1113  102.366       
1 1 1 18 13 7  o 0 3.76163  0.574586  -0.374715     3.6924       0.484817      -0.0755943    148.188  111.045       144.657  101.701      26.8663  50.0856       
1 1 1 18 13 8  o 0 4.97872  0.437426  1.36924       -0.424958    0.00631727    0.103952      180.033  3.54953       230.034  -0.50314     78.535   -8.39748      
1 1 1 18 13 9  < 1 0        1.44873   0.201914      0.0103689    0.000373324   -0.00850315   ?        ?             51.5503  -78.9432     ?        ?             
1 1 1 18 13 10 o 0 2.83851  0.814765  -0.510559     0.363225     0.0117897     0.00954675    40.7396  9.86196       64.1295  86.1492      68.4503  124.333       
1 1 1 18 13 11 o 0 3.86365  0.388273  0.251362      -0.0897039   0.00172032    -0.000474814  140.127  -46.6265      227.868  -45.1471     80.8984  -42.4563      
1 1 1 18 13 12 o 0 1.20477  0.743238  0.304678      0.483079     -0.00861058   0.00481056    51.9095  87.491        21.561   45.3424      41.1644  -71.9308      
1 1 1 18 14 0  o 0 8.47349  0.162091  -0.173504     2.12474e-017 0             0             245.004  -180          311.333  -180         118.129  180           
1 1 1 18 14 1  o 0 7.65669  0.348871  2.72941       -3.76869     0.967402      1.21506       195.268  -54.0152      372.068  -43.1189     220.562  -35.42        
1 1 1 18 14 2  o 0 12.4013  0.17622   -0.730193     1.14331      -0.289441     0.363011      402.635  88.039        589.549  88.5374      263.436  89.1544       
1 1 1 18 14 3  o 0 6.50173  0.17495   -1.26212      -0.124573    -0.361065     0.162071      140.87   -59.4198      328.823  -92.36       240.429  -107.465      
1 1 1 18 14 4  o 0 3.38352  0.235284  -0.0463374    0.38016      -0.765744     -0.0794326    243.237  62.7291       58.6908  125.66       181.636  -133.993      
1 1 1 18 14 5  o 0 1.76689  0.804341  -0.660125     -1.27524     0.0679179     -0.319287     99.9758  -17.0184      85.5696  -139.875     148.158  -167.995      
1 1 1 18 14 6  f 1 9.3954   0.129399  -0.672132     -0.0350961   0.0568593     -0.0946263    473.581  135.43        323.743  139.426      71.3657  -62.999       
1 1 1 18 14 7  f 1 5.78597  0.179543  0.161575      -0.730935    -0.00984552   -0.0890994    260.369  -57.0031      227.439  -58.972      20.7212  -79.158       
1 1 1 18 14 8  o 0 5.30659  0.239237  -0.0298503    0.403723     -0.00597229   0.0150741     281.317  -175.97       170.913  179.43       60.9937  17.0149       
1 1 1 18 14 9  f 1 1.61295  0.488728  0.259487      0.357653     -0.0181356    0.0387788     115.072  111.981       31.2472  -14.9451     137.228  -57.5315      
1 1 1 18 14 10 o 0 3.36403  0.400122  -0.158034     -0.832581    -0.0267137    0.0235983     80.4872  -87.2293      216.449  -91.1392     135.623  -93.4769      
1 1 1 18 14 11 o 0 3.18612  0.44541   -0.473445     0.160998     0.00488998    0.00088296    84.2329  64.2126       187.846  75.0981      105.494  83.862        
1 1 1 18 15 0  o 0 0        1.61245   0.00404098    0            0             0             83.7607  180           0        0            62.8891  -6.48196e-014 
1 1 1 18 15 1  o 0 11.766   0.216881  1.36843       1.48413      0.584749      -0.386268     502.483  80.1036       436.394  76.5322      58.4023  52.3632       
1 1 1 18 15 2  f 1 10.7668  0.451353  -4.50613      -3.59373     -0.619214     -0.935048     428.574  -131.938      432.05   -130.134     105.841  -124.555      
1 1 1 18 15 3  o 0 8.30246  0.123344  -1.2796       -0.422226    1.21227       0.0172266     326.189  -168.669      332.594  -172.666     79.7373  174.426       
1 1 1 18 15 4  o 0 5.83041  0.161317  1.00142       -0.740289    -0.544723     0.029144      236.66   -50.8994      213.059  -59.0782     38.501   -102.83       
1 1 1 18 15 5  f 1 2.94222  0.636016  -3.76948      -0.232679    -0.503703     -0.209563     313.564  146.573       66.1007  -73.9109     299.626  -41.6617      
1 1 1 18 15 6  o 0 2.00749  0.911226  -0.774397     -0.890071    -0.00868862   -0.0838156    125.678  -57.0596      64.1745  -167.775     137.492  148.826       
1 1 1 18 15 7  o 0 4.63169  0.295314  -0.50133      -0.757156    0.0745508     0.0304386     264.434  -12.1246      125.138  -24.8543     88.2403  -173.915      
1 1 1 18 15 8  o 0 3.16175  0.312671  0.0994647     0.336793     -0.0230614    0.00573384    133.494  24.0972       96.0053  34.5911      20.2259  144.27        
1 1 1 18 15 9  o 0 0.345002 0.581347  0.0213742     -0.242304    -0.0137342    -0.00464397   105.034  -125.339      95.9815  53.1283      199.162  53.9223       
1 1 1 18 15 10 o 0 1.69421  0.807543  -0.0094468    -0.121215    0.000465521   0.00109841    6.01515  -154.143      13.6462  -115.963     9.76447  -94.3906      
1 1 1 18 15 11 o 0 1.00346  0.755881  -0.0606501    -0.459253    -0.00762472   -0.00604782   79.5418  -115.739      19.0535  46.9141      95.3129  60.8436       
1 1 1 18 16 0  o 0 8.01873  0.182845  -0.546344     6.69056e-017 0             0             327.319  180           266.019  180          33.0224  -180          
1 1 1 18 16 1  o 0 7.20995  0.327364  -1.56258      4.17137      0.39729       1.26264       405.142  63.1691       181.672  74.3448      121.047  -133.742      
1 1 1 18 16 2  o 0 6.56429  0.463446  -5.64351      0.692285     -1.05728      -0.117745     262.789  153.099       235.315  156.493      43.4814  171.785       
1 1 1 18 16 3  o 0 5.5982   0.266352  2.3715        -1.64357     -0.695648     0.49879       288.005  -55.8649      151.914  -61.3523     65.4216  136.965       
1 1 1 18 16 4  o 0 2.98196  0.53698   1.78845       0.987454     -0.167564     -0.136189     116.361  -37.4381      107.056  28.7085      107.548  77.0017       
1 1 1 18 16 5  o 0 2.39543  0.466881  0.807012      1.05086      0.101876      -0.11636      117.398  153.328       83.9393  46.1943      139.476  8.43523       
1 1 1 18 16 6  o 0 3.29522  0.286227  -0.0892317    0.0110634    7.04582e-005  -0.00142106   58.3857  80.6656       92.7706  86.026       50.018   90.6437       
1 1 1 18 16 7  o 0 4.64989  0.23963   0.101416      -0.0860775   -0.000232586  -0.00356215   296.919  -30.121       97.4923  -30.608      123.198  150.264       
1 1 1 18 16 8  o 0 1.83144  0.473372  -0.223576     0.0984483    0.00712627    -0.0106919    90.5823  175.361       13.8541  151.019      72.1081  -0.0967361    
1 1 1 18 16 9  o 0 2.38991  0.561682  0.576236      0.983078     -0.0667892    -0.0470956    87.6835  67.8413       107.871  66.4906      27.5055  62.537        
1 1 1 18 16 10 o 0 2.39805  0.590237  0.502464      -0.339813    -0.00838751   -0.00889219   81.1732  -26.9958      107.343  -29.574      32.8866  -35.439       
1 1 1 18 17 0  o 0 6.6106   0.219498  0.221872      0            0             0             212.863  -4.54002e-014 206.277  0            63.2148  1.02746e-013  
1 1 1 18 17 1  o 0 2.25263  0.367865  -0.00555589   -0.129952    -0.0116186    -0.0189769    138.771  73.753        22.8902  -103.337     118.137  -105.683      
1 1 1 18 17 2  o 0 3.99957  0.294855  1.27288       0.467188     -0.057229     -0.216528     217.545  -1.83523      79.0929  5.18382      74.0733  170.667       
1 1 1 18 17 3  o 0 2.28802  0.340061  -0.352641     -0.600585    0.159881      -0.0300316    94.9851  26.7705       50.2365  -118.943     112.401  -138.647      
1 1 1 18 17 4  o 0 5.84989  0.169424  -0.0123325    -1.40459     -0.137038     0.290692      189.372  176.813       240.701  -162.469     127.276  -141.194      
1 1 1 18 17 5  o 0 2.78492  0.315965  0.621958      0.598949     -0.211839     0.189361      45.688   94.4181       99.5455  62.4775      74.4879  49.4262       
1 1 1 18 17 6  o 0 3.755    0.271041  0.657131      -0.249511    0.0456779     -0.100354     251.197  -62.0545      63.9766  -44.7889     116.674  108.579       
1 1 1 18 17 7  o 0 4.49947  0.25412   0.192218      -0.918856    -0.0677698    0.0323047     179.143  -56.4093      197.68   -63.4403     45.3169  -88.6825      
1 1 1 18 17 8  o 0 2.41656  0.537171  0.151644      0.587135     -0.00928768   -0.023306     137.759  -151.785      63.5157  -169.424     62.034   46.29         
1 1 1 18 17 9  o 0 2.48014  0.522512  0.0420374     -0.730084    -0.00439958   -0.0269501    41.8554  -163.158      107.338  -131.963     78.4651  -118.042      
1 1 1 18 17 10 < 0 0        1.3508    -0.0574465    0.0446867    6.93581e-005  -0.000454869  ?        ?             99.9967  93.5674      ?        ?             
1 1 1 18 18 0  o 0 2.14476  0.73075   -0.0516832    6.32916e-018 0             0             288.733  5.63711e-015  33.4316  0            149.063  -180          
1 1 1 18 18 1  o 0 1.76068  0.605143  0.0901379     0.0520411    0             0             44.6622  -150          3.10755  -150         25.7761  30            
1 1 1 18 18 2  o 0 0        1.64317   0.0562626     0.0974497    0             0             36.1791  -120          0        0            23.8375  60            
1 1 1 18 18 3  f 1 2.50998  0.463791  -2.80516e-017 -0.152711    0             0             33.0032  -90           33.2821  -90          12.364   -90           
1 1 1 18 18 4  o 0 5.80517  0.231728  -0.208382     0.360928     0             0             271.741  -60           183.202  -60          6.14189  -60           
1 1 1 18 18 5  o 0 0        1.67332   0.0259543     -0.0149847   0             0             74.5503  -30           0        0            49.0629  150           
1 1 1 18 18 6  o 0 12.3207  0.176028  0.867716      0            0             0             534.955  -2.87247e-017 395.921  0            41.0064  2.48616e-016  
1 1 1 18 18 7  o 0 2.23607  0.571796  -0.171993     -0.0993      0             0             45.7541  30            16.0305  30           22.0979  -150          
1 1 1 18 18 8  o 0 1.89737  0.640333  -0.0392339    -0.067955    0             0             7.00622  60            1.19859  60           4.54569  -120          
1 1 1 18 18 9  f 1 0        1.84391   6.98746e-017  0.228235     0             0             7.70292  -90           0        0            6.23884  90            
1 1 1 19 0  0  o 0 17.9805  0.143452  -0.0165657    2.02864e-018 0             0             106.832  -4.54496e-014 300.983  0            180.092  3.0509e-014   
1 1 1 19 0  1  o 0 3.71483  0.167271  -0.0244439    -0.0423381   0             0             125.316  -120          40.3285  -120         98.7194  60            
1 1 1 19 0  2  o 0 4.88876  0.139167  0.0293418     -0.0508214   0             0             224.316  -60           103.874  -60          140.527  120           
1 1 1 19 0  3  f 1 9.8387   0.0956236 -1.07696      1.31886e-016 0             0             695.408  180           461.09   180          273.991  -1.58029e-014 
1 1 1 19 0  4  o 0 12.8219  0.104435  0.382454      0.662429     0             0             408.88   60            590.373  60           156.39   60            
1 1 1 19 0  5  o 0 12.227   0.113443  -0.0548271    0.0949634    0             0             514.184  120           555.443  120          14.2363  120           
1 1 1 19 0  6  o 0 18.0997  0.128915  1.3275        0            0             0             755.166  0             863.794  0            45.801   0             
1 1 1 19 0  7  o 0 10.5972  0.139694  -0.070916     -0.12283     0             0             701.355  -120          502.135  -120         252.162  60            
1 1 1 19 0  8  o 0 9.63328  0.168315  -0.0777354    0.134642     0             0             273.341  -60           433.502  -60          142.165  -60           
1 1 1 19 0  9  o 0 3.98748  0.366071  0.131537      0            0             0             138.009  1.62176e-014  94.8034  0            50.4867  -180          
1 1 1 19 0  10 f 1 4.81664  0.338661  -0.0973606    -0.168634    0             0             128.856  -120          203.345  -120         75.2768  -120          
1 1 1 19 0  11 o 0 2.89828  0.567523  0.0943827     -0.163476    0             0             74.5685  -60           74.9266  -60          1.3434   -60           
1 1 1 19 0  12 o 0 5.35724  0.414635  0.188658      0            0             0             150.646  1.89818e-015  238.503  0            99.5486  -2.64956e-015 
1 1 1 19 0  13 o 0 0        2.12132   0.123783      0.214398     0             0             17.1879  -120          0        0            15.2927  60            
1 1 1 19 0  14 o 0 2.50998  0.753352  0.0560266     -0.097041    0             0             63.6806  -60           109.368  -60          43.0822  -60           
1 1 1 19 1  0  o 0 2.84605  0.227097  0.0421837     0            0             0             201.453  1.07315e-013  35.0218  0            186.053  -180          
1 1 1 19 1  1  o 0 13.4259  0.790814  -26.7531      47.4908      8.3376        16.2939       633.719  98.142        599.494  67.4121      349.609  -20.6676      
1 1 1 19 1  2  o 0 8.08605  0.0755751 0.252844      0.0560559    -0.0201272    -0.046822     284.536  28.2992       217.721  22.7586      88.2317  -137.918      
1 1 1 19 1  3  o 0 11.2002  0.508664  18.0496       19.8914      1.90171       -9.73484      368.009  29.4281       604.437  0.429868     325.668  -34.6977      
1 1 1 19 1  4  o 0 4.30259  0.785632  5.84247       -24.7909     6.35515       3.48023       177.359  -98.8392      169.88   -71.8826     83.9337  14.5973       
1 1 1 19 1  5  o 0 21.7845  0.289128  1.20548       5.87626      2.95538       0.479445      516.001  7.80978       1421     20.5317      910.733  27.9064       
1 1 1 19 1  6  o 0 3.85008  0.27678   -3.31316      0.65087      -0.946029     0.550713      106.068  -148.781      170.36   171.248      110.75   130.044       
1 1 1 19 1  7  o 0 14.0384  0.280428  -0.156375     5.7128       1.80555       -0.465614     379.097  144.234       872.38   134.559      478.46   126.39        
1 1 1 19 1  8  f 1 11.8924  0.17737   1.95977       0.913558     -0.514065     -0.232428     511.559  60.5612       527.874  57.7147      27.3063  -45.6925      
1 1 1 19 1  9  o 0 7.03628  0.16606   0.22427       0.427631     -0.208898     -0.11401      359.347  44.022        196.789  61.2621      199.241  -152.999      
1 1 1 19 1  10 f 1 5.38167  0.322039  0.165868      -0.808951    0.0660154     -0.00892298   218.363  -2.96205      243.917  -19.6038     71.5752  -80.3744      
1 1 1 19 1  11 f 1 4.18655  0.558075  0.656214      -2.10312     0.0669558     0.201079      156.307  48.9656       221.683  -27.5862     238.434  -66.3119      
1 1 1 19 1  12 < 0 0        1.54886   -0.0940502    0.142082     -0.00873714   -0.00276236   ?        ?             181.217  106.719      ?        ?             
1 1 1 19 1  13 o 0 2.93286  0.50112   -0.456495     0.212991     0.0109651     -0.00758496   144.583  -6.14383      89.0983  3.39893      77.3046  162.841       
1 1 1 19 1  14 < 0 0        1.51587   -0.106246     -0.0854651   0.000842937   0.00132459    ?        ?             34.25    149.219      ?        ?             
1 1 1 19 2  0  o 0 9.60208  0.103033  -0.397679     4.87e-017    0             0             310.328  2.58091e-014  284.032  0            47.6287  -180          
1 1 1 19 2  1  o 0 16.0032  0.268027  6.17399       -2.53859     -2.34695      1.31934       619.477  -88.7496      799.465  -68.2468     296.045  -17.6901      
1 1 1 19 2  2  o 0 17.8421  0.208949  7.05358       -4.36496     -0.565354     4.22772       729.766  21.273        829.264  20.9121      70.0079  16.9935       
1 1 1 19 2  3  f 1 18.1661  0.415205  -2.03778      -25.4823     14.5605       0.884323      690.712  -143.288      934.677  -157.747     309.72   167.819       
1 1 1 19 2  4  o 0 3.46553  0.161517  0.394484      -0.463288    0.0506938     0.135028      79.0842  143.814       136.585  -44.6693     217.145  -41.5101      
1 1 1 19 2  5  o 0 4.97518  0.661838  14.0495       3.99777      -2.45578      -1.35834      230.287  -172.67       651.66   16.5353      893.561  14.0297       
1 1 1 19 2  6  o 0 8.58695  0.307262  0.451032      6.57729      2.42292       0.179419      451.949  107.569       250.259  93.0609      244.824  -57.5929      
1 1 1 19 2  7  o 0 2.91207  0.262767  0.0415319     -0.175725    -0.618309     0.145188      161.489  -16.4877      99.131   -175.014     265.802  171.359       
1 1 1 19 2  8  o 0 2.71701  0.375558  -0.843628     -1.54205     0.280988      -0.295506     189.91   -95.9574      54.5623  140.223      235.594  95.1359       
1 1 1 19 2  9  o 0 8.60433  0.367046  0.192328      4.19906      1.04217       0.424366      299.423  36.5343       491.473  46.5234      196.162  62.294        
1 1 1 19 2  10 o 0 9.43127  0.152533  -0.597343     -0.786058    -0.14967      0.309318      398.356  -147.786      464.002  -142.588     70.5292  -111.202      
1 1 1 19 2  11 o 0 1.73323  0.593126  -0.0530774    -0.0931144   -0.00251568   -0.0022785    60.1049  96.2737       33.1846  -92.4684     93.2903  -86.8254      
1 1 1 19 2  12 o 0 2.31896  0.525553  0.221012      -0.0608526   0.00615512    0.00286042    70.9696  -128.339      41.2252  -100.743     36.1655  19.7887       
1 1 1 19 2  13 o 0 3.11617  0.480592  0.0866671     0.56778      -0.0100483    0.00809523    57.1942  96.5095       170.373  89.833       105.208  85.6574       
1 1 1 19 2  14 o 0 2.21444  0.555303  0.00873279    -0.158584    -0.000705761  0.000282178   65.0052  13.4288       96.7536  5.74118      28.1269  -13.9688      
1 1 1 19 3  0  o 0 4.50555  0.150268  -0.153422     1.87881e-017 0             0             60.5745  180           51.9467  180          11.2877  -3.67533e-013 
1 1 1 19 3  1  o 0 11.6453  0.177032  -5.58612      7.15827      -0.8215       11.1539       500.689  47.2915       539.276  67.4601      186.228  140.519       
1 1 1 19 3  2  o 0 3.40912  0.133414  0.673535      1.16616      1.32737       -1.25624      240.358  7.12996       73.3242  -166.338     318.553  -171.37       
1 1 1 19 3  3  o 0 18.1771  0.36964   8.2054        4.32327      -1.24538      -4.12548      924.701  -7.38341      656.105  -24.8648     369.612  -155.159      
1 1 1 19 3  4  o 0 7.86194  0.284099  -2.51499      5.79533      2.09268       1.58498       458.784  164.555       205.987  154.832      259.827  -7.75008      
1 1 1 19 3  5  o 0 22.9387  0.548323  -4.40435      11.0755      1.35835       2.42475       1085.4   87.2147       957.551  87.2487      179.935  -92.9663      
1 1 1 19 3  6  f 1 10.2373  0.106646  -0.127616     -0.201112    -0.00182751   -0.0217558    363.217  -25.5638      486.206  -30.0949     115.815  -44.9328      
1 1 1 19 3  7  o 0 10.5939  0.124506  1.16931       -1.48372     -0.668743     1.36187       267.987  -47.7734      592.117  -76.1658     369.352  -97.4405      
1 1 1 19 3  8  o 0 3.44603  0.272287  -0.148261     0.441053     0.027346      0.0402331     61.0569  158.309       59.1563  98.0502      62.1137  34.0934       
1 1 1 19 3  9  o 0 1.4003   0.569759  0.369533      0.222989     -0.0613139    -0.0426241    44.7443  -176.308      55.2634  17.8293      100.362  11.4212       
1 1 1 19 3  10 o 0 1.59493  0.56641   0.183307      -0.293302    0.053265      -0.00516757   70.3608  28.4667       43.7501  -115.797     110.266  -138.134      
1 1 1 19 3  11 o 0 5.29958  0.470258  -0.503082     0.598566     0.0199352     0.0129634     191.759  53.8188       249.41   70.4875      84.664   111.49        
1 1 1 19 3  12 o 0 3.32595  0.509004  0.225214      0.180486     -0.0043457    0.000900072   12.5647  25.3309       75.6993  32.9561      63.8023  34.3889       
1 1 1 19 3  13 o 0 2.90357  1.29862   -0.241295     -0.538996    -0.0010676    -0.0109826    147.053  -83.0242      108.917  -94.7559     68.8644  115.735       
1 1 1 19 3  14 o 0 2.15813  0.995256  -0.26242      0.021969     0.000879799   0.00227469    26.9884  -135.399      78.1632  -151.084     49.9382  -160.432      
1 1 1 19 4  0  f 1 6.97854  0.126647  -0.187408     2.29501e-017 0             0             319.288  180           241.175  180          79.9976  -2.7177e-013  
1 1 1 19 4  1  o 0 15.4454  0.428524  4.8152        -2.59672     -0.80828      0.791301      631.336  6.68415       667.975  -10.9307     202.157  -84.0469      
1 1 1 19 4  2  o 0 12.0582  0.0727695 0.757271      -0.447504    2.62428       0.312387      645.014  28.1615       450.124  -14.789      442.329  -107.941      
1 1 1 19 4  3  o 0 21.9252  0.740889  4.50899       -20.4148     4.03826       2.93247       993.028  -102.129      909.783  -101.234     77.2023  67.2627       
1 1 1 19 4  4  o 0 16.6679  0.0916426 -0.0802051    0.683659     0.000622004   -0.481582     689.851  105.407       768.06   109.101      72.1301  148.721       
1 1 1 19 4  5  o 0 16.3594  0.440406  15.4623       2.65679      -5.2133       -0.622875     697.504  48.8551       746.083  49.1682      23.5238  58.8347       
1 1 1 19 4  6  o 0 10.7464  0.0950847 0.642188      -1.01868     0.893465      0.288237      381.751  38.9241       561.08   10.2369      285.687  -31.596       
1 1 1 19 4  7  o 0 5.7941   0.159088  0.652346      -0.264388    -0.774947     -0.0849113    350.312  -152.121      197.574  -63.3546     411.855  -0.780397     
1 1 1 19 4  8  f 1 5.18565  0.192266  -0.296693     -0.265022    0.380239      0.187412      187.354  149.807       162.728  -163.027     145.096  -85.5219      
1 1 1 19 4  9  o 0 7.27331  0.162781  0.123185      0.140779     -0.0299916    -0.00359518   149.31   -169.374      452.588  -171.266     300.119  -172.229      
1 1 1 19 4  10 o 0 2.23023  1.01433   0.0837837     -0.815675    0.0436894     0.0274761     110.496  -170.781      72.3223  -67.2835     147.417  -19.2736      
1 1 1 19 4  11 < 0 0        1.43954   -0.0691578    -0.0504431   -2.48488e-005 0.00410514    ?        ?             101.521  35.8519      ?        ?             
1 1 1 19 4  12 o 0 1.57569  0.705499  0.00811278    0.131992     1.26302e-006  0.0017555     55.5353  117.632       4.91888  11.5394      55.0846  -57.4459      
1 1 1 19 4  13 f 1 1.95686  0.589192  -0.14427      0.41408      -0.00850356   -0.00291886   107.868  72.3833       64.4046  86.0695      62.2349  -121.79       
1 1 1 19 4  14 < 0 0        1.50362   -0.0476412    0.178754     -0.00107196   -0.000613468  ?        ?             21.914   -149.746     ?        ?             
1 1 1 19 5  0  o 0 4.14729  0.195516  -0.0966898    1.18407e-017 0             0             126.191  7.85458e-015  18.8426  0            107.375  -180          
1 1 1 19 5  1  o 0 3.8476   0.420672  9.15447       -4.96893     -2.22208      3.99083       125.383  -91.1001      161.731  -11.2887     185.412  29.7489       
1 1 1 19 5  2  o 0 11.529   0.337463  -2.76199      -3.05729     -0.0739847    -0.731839     541.551  -105.715      425.584  -112.622     120.377  99.4441       
1 1 1 19 5  3  o 0 11.8538  0.612239  -16.8065      -4.91494     -3.51136      -1.73902      464.048  -125.893      576.488  -146.256     211.247  162.37        
1 1 1 19 5  4  o 0 13.2645  0.0818866 -1.38319      0.900108     6.03661       -0.695791     401.656  153.661       788.638  177.541      445.409  -160.55       
1 1 1 19 5  5  f 1 10.0813  0.274164  -0.0409726    0.481941     0.0190683     0.00998082    396.862  -1.80441      435.906  6.96267      73.005   63.7112       
1 1 1 19 5  6  o 0 8.94862  0.153168  -0.0127322    1.45768      0.521582      0.269305      210.848  20.9861       510.185  39.7239      312.478  52.6199       
1 1 1 19 5  7  o 0 8.39479  0.127406  -0.270343     -0.397623    -0.0554885    -0.15134      274.116  -30.8381      382.14   -46.9049     134.736  -82.5538      
1 1 1 19 5  8  o 0 3.24791  0.289475  0.0474958     0.228708     0.0283765     0.00148913    171.458  71.3584       61.137   72.1907      112.754  -109.093      
1 1 1 19 5  9  o 0 2.71624  0.556725  -1.05737      -0.0396391   -0.0847271    -0.0528935    60.5043  -141.816      103.324  -176.792     63.579   149.501       
1 1 1 19 5  10 o 0 4.69521  0.269925  0.232565      0.287649     0.0241513     0.0556907     249.165  -79.9388      139.214  -72.0595     117.203  90.6899       
1 1 1 19 5  11 o 0 1.65791  0.61286   0.190179      -0.250665    -0.0187403    -0.00696243   167.061  -118.81       52.3327  43.6088      213.46   56.943        
1 1 1 19 5  12 f 1 2.3537   0.527521  -0.124732     -0.327793    -0.00819753   -0.00182443   146.275  -159.365      37.8422  -132.688     106.914  11.4911       
1 1 1 19 5  13 f 1 2.62727  0.540211  0.694894      -0.378122    0.0172037     0.00068619    55.1846  -14.436       177.901  -19.4791     114.908  -22.2578      
1 1 1 19 5  14 o 0 0.43979  0.706886  0.244798      -0.0839756   0.00174779    0.0015545     17.822   84.9582       20.1392  -77.1083     40.0122  -86.1261      
1 1 1 19 6  0  o 0 4.93964  0.175829  -0.0259881    3.18252e-018 0             0             333.172  180           191.728  180          146.318  -3.66008e-014 
1 1 1 19 6  1  o 0 5.97132  0.181183  -2.68952      -1.55321     -1.01999      -1.16364      265.768  152.467       182.108  173.068      117.341  -60.6316      
1 1 1 19 6  2  o 0 5.89645  0.358271  5.35689       -7.17459     1.26871       3.06345       385.242  17.825        196.849  -50.0107     363.255  -132.052      
1 1 1 19 6  3  < 0 0        0.850963  0.050436      -0.0351178   -0.00159747   0.0112728     ?        ?             225.531  -121.482     ?        ?             
1 1 1 19 6  4  o 0 13.3121  0.0868375 -0.620243     -0.0999848   -0.284493     0.493878      648.783  -101.741      495.038  -111.981     189.118  105.99        
1 1 1 19 6  5  o 0 8.28436  0.104105  1.4943        0.864267     -1.24101      -0.747895     422.819  -3.63958      213.211  -16.0967     224.804  -171.834      
1 1 1 19 6  6  o 0 17.2372  0.306719  -0.794625     -6.59686     1.55991       -1.04979      583.803  -64.835       914.546  -65.0621     319.933  -65.4841      
1 1 1 19 6  7  o 0 2.96007  0.28921   -0.140827     -0.370516    0.0181802     -0.139088     107.951  2.76994       80.0444  -138.614     180.263  -161.141      
1 1 1 19 6  8  o 0 6.0612   0.359102  -0.771954     2.42608      0.420163      0.116813      256.463  54.5886       278.72   73.4344      90.2231  140.863       
1 1 1 19 6  9  o 0 4.09332  0.274901  0.0289048     0.395068     0.0206063     0.0374808     239.883  -24.4932      94.5756  -2.18882     158.989  142.459       
1 1 1 19 6  10 o 0 2.9141   0.398697  0.150885      0.21288      -0.00889706   -0.00964181   122.998  -20.9256      49.2197  11.2022      86.9177  141.548       
1 1 1 19 6  11 o 0 2.82555  0.951074  -0.844037     -0.0956323   -0.0259987    0.0204611     100.265  -18.2311      60.0451  -59.3308     65.5615  -161.213      
1 1 1 19 6  12 o 0 2.81196  0.46583   -0.00386209   -0.291804    -0.00190232   0.0037903     133.44   -151.338      105.272  -138.538     63.0537  6.95155       
1 1 1 19 6  13 < 0 0        1.56492   -0.321308     0.429489     -0.0121822    -0.0100847    ?        ?             104.998  65.0056      ?        ?             
1 1 1 19 7  0  o 0 7.38918  0.13292   -0.208941     2.5587e-017  0             0             520.329  -1.6284e-014  320.743  0            195.488  180           
1 1 1 19 7  1  o 0 15.852   0.46749   6.73341       1.51661      -0.933888     -0.244935     517.547  46.3475       837.402  35.4478      347.296  19.2225       
1 1 1 19 7  2  o 0 5.48115  0.122321  0.362593      -0.0752107   0.200362      0.740372      382.359  -134.915      45.5761  -131.682     333.426  44.6437       
1 1 1 19 7  3  o 0 15.8338  0.24278   -1.53604      0.631391     -0.104655     0.212909      540.793  -174.154      799.928  -176.559     265.015  178.57        
1 1 1 19 7  4  o 0 14.511   0.102975  -1.39654      1.53963      0.972307      0.982458      510.455  172.851       724.903  177.779      223.389  -170.965      
1 1 1 19 7  5  o 0 15.6716  0.223428  0.549767      -4.34066     1.74702       1.60492       556.415  -121.944      792.267  -128.981     249.816  -144.807      
1 1 1 19 7  6  f 1 12.1084  0.105054  0.963976      0.293748     -0.734335     0.882839      252.002  142.056       689.28   100.391      529.471  82.1246       
1 1 1 19 7  7  o 0 0.929794 0.57702   -0.235664     0.0469784    -0.0263701    0.0285191     122.842  163.835       93.1553  -16.7701     214.522  -16.4281      
1 1 1 19 7  8  o 0 8.2391   0.147026  -0.311564     -0.322755    0.0864219     0.0138029     366.717  -177.382      369.818  -174.622     18.3574  -101.488      
1 1 1 19 7  9  < 0 0        1.31325   0.0956385     0.201202     -0.0765835    -0.0371145    ?        ?             72.7243  -175.798     ?        ?             
1 1 1 19 7  10 o 0 5.6466   0.249374  0.64234       0.690397     0.0686768     0.0721939     240.938  22.5778       272.175  26.3037      42.4664  47.1914       
1 1 1 19 7  11 o 0 2.4065   0.496198  -0.236445     -0.303484    0.00644613    0.0173164     78.1799  -64.2503      67.5262  -91.3911     34.5202  178.919       
1 1 1 19 7  12 < 0 0        1.46589   0.00437292    -0.247334    -0.00736499   0.00114974    ?        ?             25.4749  -112.851     ?        ?             
1 1 1 19 7  13 o 0 2.74561  0.560125  0.287656      -0.390302    0.00393549    -0.00301533   75.3912  91.575        157.139  81.9159      71.6804  69.9935       
1 1 1 19 8  0  o 0 5.55878  0.165877  -0.285153     3.492e-017   0             0             359.031  2.24068e-016  203.821  0            143.826  -180          
1 1 1 19 8  1  o 0 9.77029  0.089476  -0.88283      -0.0701542   -0.725034     0.541701      354.017  65.9788       442.633  79.5263      135.19   116.062       
1 1 1 19 8  2  o 0 3.70994  0.280219  2.25588       -1.09044     -0.354819     0.567381      101.463  5.2864        137.987  -27.5588     76.812   -71.7026      
1 1 1 19 8  3  o 0 6.56884  0.213579  -1.7154       4.3259       1.83857       2.6547        409.189  51.2955       143.783  48.8988      255.197  -127.354      
1 1 1 19 8  4  o 0 10.8403  0.198819  -4.98624      0.668664     -2.29566      1.47707       468.78   -101.263      493.735  -136.062     286.772  158.027       
1 1 1 19 8  5  o 0 12.3529  0.197045  3.96672       -1.79151     -0.660765     1.80124       528.528  49.7881       539.821  28.0598      200.721  -45.566       
1 1 1 19 8  6  o 0 13.1741  0.0994917 0.651376      -0.0208875   0.0188918     0.169788      422.882  -7.22985      669.016  -3.78369     251.826  1.95925       
1 1 1 19 8  7  f 1 8.06536  0.181175  -0.850139     -1.4183      -0.0992039    -0.504367     113.327  -153.387      523.669  -142.821     417.259  -140.082      
1 1 1 19 8  8  f 1 6.32541  0.188849  0.142339      -1.29215     0.0177983     0.472763      299.976  -156.053      268.302  -134.222     107.877  -43.7         
1 1 1 19 8  9  o 0 0.283217 0.566447  0.103247      0.0933348    0.0203384     -0.00242018   41.5609  -81.9896      41.4984  95.9193      82.5828  96.9598       
1 1 1 19 8  10 o 0 0.193408 0.535597  0.183766      -0.00860057  0.00787548    0.00666015    104.224  -76.8472      97.9393  102.23       197.618  102.695       
1 1 1 19 8  11 o 0 0.831994 0.738085  0.01057       -0.15572     -0.000413557  -0.00323131   35.1169  24.0782       28.025   -144.311     61.3858  -150.65       
1 1 1 19 8  12 o 0 2.46531  0.549591  -0.142458     0.155666     -0.00123219   -0.00116692   57.96    73.3073       137.916  80.6162      71.1229  87.5891       
1 1 1 19 8  13 o 0 1.91669  0.848854  -0.0786943    0.384009     -0.00412074   0.00307569    17.0177  -66.1302      14.4736  74.5176      32.3506  97.3893       
1 1 1 19 9  0  o 0 4.88876  0.20592   0.0345267     0            0             0             308.938  180           166.602  180          124.615  -1.27115e-014 
1 1 1 19 9  1  o 0 15.6795  0.32951   1.75753       7.52787      2.05056       -1.80606      459.798  27.7182       826.619  33.5371      395.718  39.9451       
1 1 1 19 9  2  f 1 14.2201  0.320214  0.783835      8.26936      4.28573       0.446899      589.695  44.122        620.926  31.8153      143.054  -23.5703      
1 1 1 19 9  3  o 0 18.7624  0.286892  3.27899       -3.78409     -0.537949     1.82432       630.685  -112.348      952.002  -102.878     371.246  -87.3924      
1 1 1 19 9  4  o 0 13.1045  0.138652  -0.922381     0.407701     -0.0413772    0.171956      418.402  106.684       645.09   111.657      247.273  119.754       
1 1 1 19 9  5  f 1 14.3976  0.127836  -0.702226     -1.24086     0.688711      0.464159      450.919  -26.4259      734.619  -26.4716     305.363  -26.5358      
1 1 1 19 9  6  o 0 9.71912  0.153278  2.47778       0.53609      -1.40246      0.665833      344.341  33.3497       511.728  43.9868      199.599  61.5946       
1 1 1 19 9  7  o 0 7.27827  0.135315  -0.0179878    -0.0768368   -0.0086905    -0.00356297   206.734  96.5055       396.656  96.9073      198.622  97.3079       
1 1 1 19 9  8  o 0 4.27208  0.264311  -0.269315     -0.336722    -0.105493     0.0194827     41.3523  -111.815      157.102  -117.114     117.382  -118.916      
1 1 1 19 9  9  f 1 2.35671  1.05043   -1.03127      -0.277595    -0.0471578    -0.0821112    77.7422  121.826       85.8129  -161.322     100.045  -114.817      
1 1 1 19 9  10 o 0 2.15355  0.498375  0.000431682   0.0843218    -0.00139102   -0.000296018  53.2489  144.046       30.7452  132.431      21.0042  -18.8133      
1 1 1 19 9  11 o 0 1.37864  0.724832  -0.192912     0.141289     0.00568814    -0.000746906  90.731   49.7485       45.7366  -151.868     150.611  -136.675      
1 1 1 19 9  12 f 1 2.37168  1.07792   -0.319751     -0.00407844  -0.00014402   0.00366979    57.0802  162.999       132.395  166.908      67.6345  170.668       
1 1 1 19 9  13 f 1 1.77726  0.673765  0.372895      -0.282457    -0.00238259   -0.00431119   27.4202  90.5052       36.8889  11.9607      43.3066  -32.8957      
1 1 1 19 10 0  o 0 6.09098  0.18321   -0.345292     4.22847e-017 0             0             364.593  -2.55334e-014 217.831  0            115.719  180           
1 1 1 19 10 1  o 0 7.31118  0.185948  0.287285      0.179679     -0.0116519    -0.0134523    238.747  -50.0272      256.492  -37.8625     62.1112  10.454        
1 1 1 19 10 2  o 0 15.7487  0.0934155 -1.10329      -0.0908833   -0.180212     -0.941114     681.439  -154.47       616.298  -163.786     102.622  101.973       
1 1 1 19 10 3  o 0 7.59177  0.13077   0.997841      -3.74961     3.75799       0.573828      407.878  5.51996       248.46   -25.2139     209.886  -137.253      
1 1 1 19 10 4  o 0 3.08266  0.211229  -0.0588499    -0.348128    0.00215063    0.935911      224.256  -69.6975      116.573  146.953      312.058  123.187       
1 1 1 19 10 5  o 0 2.38409  0.344427  -1.06677      0.184276     -0.193057     0.0187356     64.2378  -46.18        97.545   172.267      148.617  157.906       
1 1 1 19 10 6  o 0 5.68308  0.211593  -0.08262      0.443898     0.0233858     0.0350461     182.297  119.676       265.961  116.72       96.951   111.543       
1 1 1 19 10 7  f 1 7.3212   0.136683  0.136763      -0.240376    -0.0154667    -0.0548557    344.444  -168.277      289.606  -166.035     31.1624  -9.59007      
1 1 1 19 10 8  < 0 0        1.25103   -0.0637557    -0.15825     -0.0226398    -0.0298518    ?        ?             40.4767  -71.6061     ?        ?             
1 1 1 19 10 9  < 0 0        1.3508    0.0354281     -0.195185    -0.0147268    0.0133989     ?        ?             93.1834  98.8926      ?        ?             
1 1 1 19 10 10 o 0 4.98465  0.287321  0.397224      0.640601     -0.0279331    0.0308954     194.352  -8.48293      236.996  1.4435       67.4581  28.7908       
1 1 1 19 10 11 o 0 3.79601  1.0975    -0.0869804    -0.512577    0.000790327   -0.00555268   109.289  -147.875      266.764  -142.697     143.564  -138.22       
1 1 1 19 10 12 o 0 1.58864  0.629985  -0.0108733    -0.0691316   -0.000170975  1.06485e-005  92.4262  92.7739       19.9147  95.3156      85.335   -87.8191      
1 1 1 19 11 0  o 0 8.44985  0.151122  0.223147      0            0             0             62.1839  1.13174e-013  185.673  0            130.653  -4.76592e-014 
1 1 1 19 11 1  o 0 8.54959  0.311428  -0.550287     -3.43486     0.714821      -0.0790403    413.307  -129.509      260.975  -118.031     125.08   25.9612       
1 1 1 19 11 2  o 0 11.3514  0.395378  0.357966      10.2454      3.57709       0.475558      565.329  63.4802       365.732  49.7957      177.003  -87.2563      
1 1 1 19 11 3  o 0 7.13206  0.197379  -1.03779      0.280772     -0.126809     0.226849      407.594  -122.93       165.851  -155.388     247.016  78.192        
1 1 1 19 11 4  o 0 1.32132  0.615111  -0.0708702    0.127704     0.00147538    0.00191694    54.6497  35.1074       32.7084  -158.784     80.9286  -150.461      
1 1 1 19 11 5  o 0 3.23613  0.313235  -0.889154     1.42238      0.339442      0.335128      167.857  175.391       88.2622  139.872      94.4098  28.2889       
1 1 1 19 11 6  o 0 7.95006  0.128601  -0.0668829    0.64547      -0.262603     -0.201574     216.596  -152.963      417.588  -159.523     223.312  -165.298      
1 1 1 19 11 7  o 0 6.42005  0.207593  1.75761       -2.22511     0.814412      0.439837      209.304  -99.2843      307.51   -80.6547     139.886  -54.6773      
1 1 1 19 11 8  o 0 3.07869  0.436234  0.406533      -0.891344    0.0068509     0.0717409     102.473  -47.3942      99.1674  -63.4309     27.4009  -136.236      
1 1 1 19 11 9  o 0 5.09819  0.278855  0.777305      0.572735     -0.0583654    0.0335479     168.378  -19.966       259.242  -9.34406     114.203  4.76922       
1 1 1 19 11 10 o 0 3.04507  0.653694  -0.656991     0.0546671    -0.00701291   -0.0186522    87.7009  -157.566      158.742  -168.913     64.7461  173.594       
1 1 1 19 11 11 o 0 1.12794  0.674659  -0.0639108    0.146685     -0.00161007   -0.00131368   53.8411  91.9495       5.25238  -126.694     63.9826  -90.9889      
1 1 1 19 11 12 o 0 0.447214 0.694031  -0.286803     -0.499251    -0.00746378   0.0127252     96.2016  -158.409      84.7575  16.289       191.742  19.2501       
1 1 1 19 12 0  o 0 2.25832  0.437849  -0.135691     1.66168e-017 0             0             155.503  -180          33.1716  -180         99.3881  9.89067e-017  
1 1 1 19 12 1  o 0 12.2596  0.0956751 0.115056      -0.152386    -0.034467     -0.0267375    568.109  92.6681       398.788  91.8848      92.0795  -83.9379      
1 1 1 19 12 2  o 0 9.33082  0.106482  0.274172      0.825261     -0.0683295    -0.403486     359.446  -112.688      307.271  -101.524     60.7536  -11.0019      
1 1 1 19 12 3  f 1 1.18941  0.461015  -0.253276     0.728856     0.219401      0.485749      25.9571  -120.668      41.0029  87.59        61.2355  77.8144       
1 1 1 19 12 4  o 0 10.7186  0.100941  0.149512      -0.44263     -0.148123     -0.20852      428.761  38.5433       470.006  37.0613      98.9398  31.4863       
1 1 1 19 12 5  o 0 3.51591  0.240086  -0.184617     -0.69045     0.190794      0.0148058     28.6232  147.679       91.9265  -129.367     92.2639  -113.745      
1 1 1 19 12 6  o 0 2.55598  1.13531   0.386833      1.37179      0.0781473     -0.0300747    156.568  3.212         81.8052  92.8042      160.094  152.484       
1 1 1 19 12 7  o 0 2.79239  0.318776  0.0236028     -0.318696    -0.00091782   0.0544174     119.143  51.3193       24.0925  -12.8688     98.0809  -115.905      
1 1 1 19 12 8  o 0 4.10329  0.247979  0.450646      -0.174638    0.0267748     -0.0476767    227.436  3.23791       123.378  -2.3971      74.9432  -167.459      
1 1 1 19 12 9  o 0 3.12306  0.398943  -0.202265     -0.925402    0.0132231     0.0785291     134.001  -165.718      115.734  -137.213     57.2849  -60.3337      
1 1 1 19 12 10 o 0 1.75478  0.58725   0.708341      0.233653     0.0108389     0.0525407     109.356  -6.71179      25.8538  55.2813      110.207  161.335       
1 1 1 19 12 11 o 0 2.80548  0.692503  0.218734      -0.216265    0.00233803    -0.000459351  117.659  -165.277      137.503  -158.877     18.0456  -107.125      
1 1 1 19 13 0  o 0 11.5715  0.145082  0.335069      0            0             0             478.823  -180          430.144  -180         48.2312  180           
1 1 1 19 13 1  o 0 9.39428  0.405325  0.863308      -4.6176      0.93336       0.892921      532.319  -90.1764      262.593  -95.6929     171.725  98.2766       
1 1 1 19 13 2  f 1 13.4191  0.0966462 0.0665467     -0.833234    0.0348362     -0.279359     480.423  -7.2624       619.591  -11.8106     234.679  -19.3472      
1 1 1 19 13 3  o 0 2.59089  0.481385  -1.03667      -0.397646    -0.0665238    -0.0870874    87.4368  -95.4761      77.0665  -158.617     78.4158  145.779       
1 1 1 19 13 4  f 1 6.88206  0.182735  -0.134258     -0.498547    0.0508874     0.0208492     159.887  141.101       339.58   151.225      210.984  157.536       
1 1 1 19 13 5  o 0 2.18723  0.961339  -1.77472      0.581515     -0.123231     0.122219      156.856  19.5915       155.68   166.199      276.311  -178.473      
1 1 1 19 13 6  f 1 0.823714 0.57471   0.0105521     0.423449     0.0541449     -0.204871     183.566  77.0302       126.108  -105.225     280.463  -103.984      
1 1 1 19 13 7  o 0 5.25003  0.430237  0.388187      2.89618      0.328642      0.340884      300.192  66.461        158.117  65.9636      90.9545  -112.674      
1 1 1 19 13 8  f 1 5.69713  0.190566  -1.24353      -1.42965     0.20951       0.366503      264.443  -130.89       227.553  -134.628     17.3793  170.506       
1 1 1 19 13 9  o 0 3.9774   0.657009  0.740008      0.577398     -0.0287569    -0.00554217   114.015  9.64144       233.585  19.1378      116.787  28.9092       
1 1 1 19 13 10 o 0 4.55543  0.307654  -0.314016     0.261079     0.00107816    -0.00657352   28.9865  -86.0832      262.026  -97.661      232.588  -99.1508      
1 1 1 19 13 11 f 1 1.54743  0.743391  -0.219074     0.109417     -0.00269263   -0.00209417   31.5895  77.6243       28.8746  115.587      20.2686  -163.581      
1 1 1 19 14 0  o 0 11.0318  0.14758   -0.332864     4.07628e-017 0             0             451.498  4.78013e-015  391.878  0            47.7447  -3.44541e-014 
1 1 1 19 14 1  o 0 11.0024  0.101552  -0.492005     0.62021      0.261302      -0.00728715   496.972  133.2         393.075  135.254      15.8235  -163.865      
1 1 1 19 14 2  o 0 2.9173   0.265922  -0.176571     0.0402252    0.00822778    -0.170292     135.573  96.4899       39.6323  133.105      78.5803  -101.017      
1 1 1 19 14 3  f 1 3.75056  0.517054  2.70649       -4.20679     0.650485      0.782147      124.595  -47.038       147.372  -47.9066     49.5759  -49.621       
1 1 1 19 14 4  o 0 4.33628  0.207798  0.465073      -0.0998929   0.153402      -0.281474     118.364  -77.3943      162.087  -49.9474     89.0206  -20.334       
1 1 1 19 14 5  o 0 6.42923  0.375482  1.67127       -1.37044     -0.152506     0.169831      352.411  -35.2613      178.29   -39.4824     110.094  151.585       
1 1 1 19 14 6  o 0 6.67566  0.161483  1.29667       0.422738     0.208286      0.221463      68.963   34.4687       383.171  25.6786      327.208  24.16         
1 1 1 19 14 7  o 0 3.88048  0.301268  -0.384205     0.721936     0.0675544     -0.0255652    299.481  -170.862      50.3528  157.386      198.317  16.8167       
1 1 1 19 14 8  o 0 2.65433  0.342462  0.727076      -0.0414778   0.065686      -0.0915269    62.1935  -42.6296      95.5987  -20.4153     52.698   0.673263      
1 1 1 19 14 9  o 0 2.93418  0.337998  -0.785791     -0.384366    -0.0318888    0.047782      139.579  143.369       107.788  173.448      72.5067  -84.7956      
1 1 1 19 14 10 o 0 1.43078  0.658943  0.479657      0.030679     0.0103732     0.0139127     97.6476  139.995       20.2643  20.0239      109.262  -30.7599      
1 1 1 19 14 11 o 0 1.14189  0.73818   0.557879      0.0271435    0.0110218     -0.0045423    46.151   104.139       31.6275  -10.9133     66.3515  -50.2777      
1 1 1 19 15 0  o 0 2.04939  0.497826  0.1892        0            0             0             257.222  -3.86342e-014 59.3347  0            127.237  180           
1 1 1 19 15 1  f 1 8.93942  0.125984  -1.26695      -1.25958     1.25131       0.469381      382.498  -130.619      325.839  -146.17      94.1727  161.317       
1 1 1 19 15 2  o 0 7.96186  0.132689  0.179574      -0.324858    -0.00967785   -0.100394     406.366  -45.9711      232.45   -46.9856     73.4142  137.243       
1 1 1 19 15 3  o 0 3.4613   0.279627  -0.153824     -0.0535361   -0.00128476   -0.00361141   225.978  120.995       32.8985  138.595      141.39   -63.0399      
1 1 1 19 15 4  o 0 2.32254  0.350888  -0.36708      0.13631      0.0202283     0.0844689     169.549  -133.994      29.0027  95.1874      151.497  54.3366       
1 1 1 19 15 5  f 1 5.57919  0.164781  -0.2263       -0.445701    -0.040543     0.0500385     186.244  85.6754       205.574  89.0672      63.181   96.7744       
1 1 1 19 15 6  o 0 0.925926 0.582812  -0.615812     -0.441361    0.0503944     -0.104928     168.993  150.244       89.7053  -40.5393     217.043  -34.1909      
1 1 1 19 15 7  o 0 4.73773  0.222071  0.992743      1.01586      -0.011117     0.321115      225.158  135.925       160.68   111.674      70.9456  24.4036       
1 1 1 19 15 8  o 0 2.56711  0.610539  -0.683016     0.178577     0.00569658    0.032972      109.882  -6.0962       32.3522  16.4379      77.1261  164.653       
1 1 1 19 15 9  o 0 1.42097  0.695713  -0.0452526    0.0199838    -0.000183056  -0.000212578  60.0732  -44.5902      9.8769   -50.5036     47.3805  136.64        
1 1 1 19 15 10 o 0 2.36811  0.511049  -0.473315     -0.0889868   0.00933358    -0.00133615   72.3997  -95.6708      106.353  -112.698     44.8646  -139.632      
1 1 1 19 16 0  o 0 0        1.70294   -0.089723     1.09875e-017 0             0             131.381  3.83241e-014  0        0            90.3113  -180          
1 1 1 19 16 1  o 0 3.37002  0.249557  -0.0149172    0.18184      -0.00931353   -0.0382903    126.072  24.2657       57.9781  37.1725      34.5878  -177.723      
1 1 1 19 16 2  o 0 5.55607  0.291558  1.576         2.52501      -0.061723     -0.689037     242.558  59.2547       170.084  68.5673      28.1114  160.998       
1 1 1 19 16 3  o 0 0.719238 0.546996  0.243818      -0.0622563   0.169605      0.0365103     109.693  -108.713      73.3871  66.7079      152.969  69.092        
1 1 1 19 16 4  o 0 4.59404  0.211172  0.527392      -0.236284    0.0886335     -0.0372456    213.36   57.1322       142.641  45.9654      29.8133  -54.9594      
1 1 1 19 16 5  o 0 1.68934  0.763074  -0.51983      0.480257     0.0429902     0.060495      121.45   -118.502      40.5906  116.354      115.293  78.2297       
1 1 1 19 16 6  o 0 7.06317  0.163079  0.666699      0.0186165    0.0308127     -0.0188591    281.143  -157.534      274.021  -156.295     70.5918  -152.721      
1 1 1 19 16 7  o 0 2.70553  0.366815  -0.424879     0.0020504    0.0285862     -0.0140596    229.87   145.519       12.0714  -142.414     206.348  -37.6715      
1 1 1 19 16 8  o 0 2.95646  0.370194  0.727489      0.121109     0.0495534     0.00127317    122.946  86.1094       128.061  71.1517      35.4977  17.4969       
1 1 1 19 16 9  f 1 3.12368  0.325802  -0.35247      -0.689752    -0.0320399    0.00562186    55.8146  -47.7739      175.738  -67.8223     130.001  -75.3822      
1 1 1 19 16 10 o 0 3.25488  0.332792  0.258575      0.334704     -0.00427645   0.00451173    118.916  132.259       158.046  124.884      52.2288  109.404       
1 1 1 19 17 0  o 0 3.14643  0.429773  0.289485      0            0             0             212.373  -180          75.9274  -180         61.8669  1.82092e-013  
1 1 1 19 17 1  o 0 8.57631  0.133512  -1.0954       -0.253168    0.146057      0.4306        318.504  -131.892      300.789  -138.908     94.3721  -154.804      
1 1 1 19 17 2  o 0 4.39722  0.212824  -0.17904      -0.722585    -0.0750561    -0.105528     300.607  -106.51       68.4484  -101.119     128.013  70.6112       
1 1 1 19 17 3  o 0 5.06952  0.192838  0.084133      0.382398     -0.041689     0.0166785     237.194  95.728        150.495  93.688       8.68188  -46.1713      
1 1 1 19 17 4  o 0 2.58213  0.34771   0.110932      -0.170884    0.00707094    0.000491356   15.4527  -142.289      22.668   -94.9132     17.4017  -68.8562      
1 1 1 19 17 5  o 0 5.02678  0.194664  -0.0266325    -0.20666     0.000258687   -0.0072953    255.123  -86.4693      140.159  -86.8262     33.4668  95.0256       
1 1 1 19 17 6  o 0 5.91231  0.187148  -1.39256      -0.337458    0.119219      0.00228681    193.736  -135.028      240.963  -143.672     111.053  -154.061      
1 1 1 19 17 7  o 0 4.04794  0.451701  0.875203      1.43336      0.112935      0.0715718     166.54   155.139       170.435  123.321      89.8573  65.4792       
1 1 1 19 17 8  o 0 0.699444 0.646416  -0.0517478    -0.0866489   0.00085265    0.00112461    52.6509  96.4835       32.3532  -86.6399     77.3538  -84.8223      
1 1 1 19 17 9  < 0 0        1.34164   -0.0149624    -0.0760154   -0.000931463  -0.000259356  ?        ?             24.368   -124.342     ?        ?             
1 1 1 19 18 0  o 0 1.78885  0.600376  -0.115961     1.42007e-017 0             0             128.614  180           37.9963  180          37.5012  -1.47503e-013 
1 1 1 19 18 1  o 0 1.91725  0.414778  -0.121296     -0.0581727   0.00451817    -0.00391948   21.1229  -112.141      10.3432  -140.867     6.16473  121.604       
1 1 1 19 18 2  o 0 4.7751   0.207691  -0.850376     -0.504861    0.134815      -0.0419528    362.282  102.459       54.5587  129.425      175.856  -85.6282      
1 1 1 19 18 3  o 0 3.85291  0.246704  0.390398      0.0341981    0.00673931    0.0263538     184.718  -105.88       94.3564  -97.7458     25.8872  43.0717       
1 1 1 19 18 4  o 0 3.2345   0.284753  0.0482224     1.16662      0.0425999     0.183385      179.885  89.5251       65.7415  80.4644      50.399   -78.6208      
1 1 1 19 18 5  f 1 2.1643   0.378528  -0.522743     0.00639121   0.00858377    0.0470953     105.352  62.8956       25.6812  128.946      60.9965  -139.734      
1 1 1 19 18 6  o 0 2.34133  0.396889  0.11935       -0.141391    -0.00434938   -0.00174052   129.408  -175.923      28.3584  -156.941     78.7237  -2.65226      
1 1 1 19 18 7  < 0 0        1.26429   -0.234779     0.15283      0.0177315     -0.0122943    ?        ?             117.212  87.3777      ?        ?             
1 1 1 19 18 8  o 0 2.30748  0.400577  0.294451      0.0507794    0.00512907    -0.0013402    107.756  -8.07799      70.8757  -5.00621     16.719   158.792       
1 1 1 19 19 0  o 0 2.70185  0.569744  0.203166      0            0             0             138.101  180           32.479   180          43.4656  -1.39777e-014 
1 1 1 19 19 1  o 0 2.12132  0.575502  -0.130861     -0.0755528   0             0             168.376  30            47.8067  30           47.2757  -150          
1 1 1 19 19 2  f 1 7.18331  0.209574  -0.437377     -0.757559    0             0             719.27   -120          200.89   -120         208.079  60            
1 1 1 19 19 3  o 0 3        0.457904  5.27656e-017  0.172351     0             0             23.5679  90            34.9038  90           21.0412  90            
1 1 1 19 19 4  o 0 5.21536  0.272948  -0.0818635    0.141792     0             0             257.975  120           188.333  120          4.01311  -60           
1 1 1 19 19 5  o 0 5.45894  0.286789  0.365828      -0.211211    0             0             251.411  -30           199.705  -30          9.81033  -30           
1 1 1 19 19 6  o 0 0        1.89737   -0.0719357    8.80929e-018 0             0             68.2415  -180          0        0            51.0182  4.59078e-015  
1 1 1 19 19 7  o 0 2.40832  0.546333  0.380285      0.219557     0             0             94.295   30            86.9016  30           15.7768  30            
1 1 1 19 19 8  o 0 0        1.76068   -0.00104574   -0.00181128  0             0             21.7516  60            0        0            16.5244  -120          
1 1 1 20 0  0  o 0 2.25832  0.375111  0.035307      0            0             0             295.874  -180          10.03    -180         314.164  3.60608e-013  
1 1 1 20 0  1  o 0 7.81665  0.10726   -0.384881     -0.666633    0             0             285.468  -120          341.354  -120         33.2669  -120          
1 1 1 20 0  2  o 0 7.46324  0.112192  -0.119606     0.207163     0             0             191.38   120           227.98   120          24.4726  120           
1 1 1 20 0  3  o 0 11.2428  0.114459  -0.0240447    2.94453e-018 0             0             209.188  -9.87927e-015 364.318  0            144.678  1.49979e-014  
1 1 1 20 0  4  o 0 1.22474  0.263487  0.00783636    0.013573     0             0             16.6299  60            1.30735  60           15.9791  -120          
1 1 1 20 0  5  o 0 3.34664  0.197198  -0.0502078    0.0869625    0             0             276.905  120           107.437  120          188.502  -60           
1 1 1 20 0  6  o 0 0        1.44914   0.010648      0            0             0             96.7615  1.21721e-014  0        0            102.714  -180          
1 1 1 20 0  7  o 0 19.9524  0.134413  0.36347       0.629549     0             0             498.576  60            926.564  60           401.056  60            
1 1 1 20 0  8  o 0 9.78775  0.165747  0.242507      -0.420034    0             0             336.471  120           437.642  120          86.1152  120           
1 1 1 20 0  9  o 0 2.36643  0.538726  -0.0543242    6.65257e-018 0             0             13.51    8.12008e-014  1.31296  0            12.2866  -180          
1 1 1 20 0  10 o 0 0.447214 0.804326  0.0272225     0.0471507    0             0             56.189   60            2.18911  60           53.466   -120          
1 1 1 20 0  11 o 0 3.89872  0.456354  -0.142091     0.246108     0             0             8.53533  120           59.7308  120          51.4556  120           
1 1 1 20 0  12 o 0 0        2.14476   -0.0462502    5.66383e-018 0             0             78.8999  -6.26364e-016 0        0            71.6098  180           
1 1 1 20 0  13 o 0 2.62679  0.734599  -0.127137     -0.220209    0             0             73.3989  -120          104.081  -120         23.7343  -120          
1 1 1 20 0  14 o 0 2.60768  0.726289  -0.0198801    0.0344334    0             0             19.1746  -60           40.3276  -60          20.6114  -60           
1 1 1 20 1  0  o 0 9.26283  0.101443  0.0383743     0            0             0             92.2161  -180          121.581  -180         23.3306  180           
1 1 1 20 1  1  o 0 2.53841  0.40023   -10.0176      1.30773      -4.49078      0.931153      218.814  -0.338701     364.079  170.6        592.531  174.108       
1 1 1 20 1  2  o 0 11.594   0.0751916 -2.80124      1.08204      -0.932767     3.07226       427.737  -150.57       578.641  -136.812     180.858  -101.028      
1 1 1 20 1  3  o 0 5.84316  0.34827   -3.27863      9.73941      4.28204       4.02323       147.448  23.6329       304.516  70.7118      229.81   99.6433       
1 1 1 20 1  4  o 0 4.26715  0.135074  -0.197888     -0.623455    0.1088        -0.132491     60.9832  48.2023       105.897  -102.106     162.564  -112.973      
1 1 1 20 1  5  o 0 14.1655  0.389545  10.5665       -9.01973     -2.8722       6.60087       857.275  -90.185       400.112  -99.8379     514.177  97.3123       
1 1 1 20 1  6  o 0 5.23752  0.597543  8.599         8.49473      -0.185799     -2.54791      213.703  123.682       374.667  35.7672      429.793  4.27621       
1 1 1 20 1  7  o 0 2.65697  0.717491  1.34299       -1.09241     -0.044711     0.15026       173.122  156.178       280.552  -34.0985     460.155  -30.0663      
1 1 1 20 1  8  o 0 11.3776  0.112051  -0.0955702    0.301701     0.0168529     -0.181374     360.86   -107.536      575.4    -107.068     199.226  -106.185      
1 1 1 20 1  9  f 1 9.42832  0.134524  -0.835767     -0.880286    -0.44049      -0.215408     417.689  -64.0651      449.734  -73.3259     77.9529  -132.259      
1 1 1 20 1  10 < 0 0        1.34112   -0.0317668    0.0438853    0.000580619   -0.00570179   ?        ?             155.483  -170.59      ?        ?             
1 1 1 20 1  11 f 1 2.75805  0.448992  0.0445843     0.266174     -0.00952698   0.0182085     124.892  -167.385      29.2453  134.357      108.108  25.9159       
1 1 1 20 1  12 o 0 4.43811  0.337928  -0.0223374    -0.397373    -0.0140564    0.000730141   102.305  -98.1935      244.567  -97.3821     150.212  -96.8723      
1 1 1 20 1  13 o 0 2.11166  0.991821  -0.0295409    -0.378497    0.000455655   0.0075349     39.8259  137.61        33.4448  -129.734     56.9213  -78.3299      
1 1 1 20 1  14 o 0 1.70772  0.825281  0.0734481     0.126276     0.000294596   0.000541193   20.7539  -73.6077      16.0445  -38.3436     12.7866  59.9692       
1 1 1 20 2  0  o 0 2.09762  0.290575  -0.0261204    3.19872e-018 0             0             103.698  -1.48836e-013 5.46537  0            102.309  180           
1 1 1 20 2  1  o 0 27.0148  0.239523  2.58279       -7.17272     0.73839       8.57489       1024.47  -113.867      1370.57  -127.503     426.132  -163.178      
1 1 1 20 2  2  o 0 8.96018  0.195925  -0.727586     0.666787     0.0201849     0.124088      520.711  -154.397      203.486  164.082      401.784  45.2197       
1 1 1 20 2  3  o 0 12.9403  0.0758175 -0.216331     0.35546      -0.495333     -0.566877     550.799  130.759       552.313  124.254      62.7319  36.664        
1 1 1 20 2  4  o 0 10.1494  0.122674  1.18847       -2.51482     1.92937       0.847755      434.748  -45.1816      461.32   -13.703      248.412  58.9523       
1 1 1 20 2  5  o 0 2.75026  0.406873  -0.316391     0.544606     0.00968329    0.0217984     170.556  2.66202       140.139  154.327      308.409  170.208       
1 1 1 20 2  6  o 0 9.17635  0.166928  -2.19098      1.53606      -0.0361004    1.19697       471.157  -108.67       405.132  -161.942     408.966  123.887       
1 1 1 20 2  7  o 0 7.83669  0.636484  -17.2005      8.05267      -3.71235      3.64394       444.074  116.205       245.935  144.343      271.653  -89.0696      
1 1 1 20 2  8  o 0 17.9321  0.103714  0.313153      -1.67592     -0.292292     -0.926584     684.213  -54.7182      898.3    -57.4371     190.62   -67.6354      
1 1 1 20 2  9  o 0 3.09635  0.324284  -0.107902     -0.239616    0.00313983    -0.0221604    40.2636  83.4969       12.2309  -175.406     44.656   -112.094      
1 1 1 20 2  10 o 0 3.4826   0.334346  -0.0179868    0.215977     -0.0311222    0.0213318     92.7744  -113.399      71.6749  -124.23      26.2804  97.4316       
1 1 1 20 2  11 o 0 2.52119  0.824137  -0.049664     0.00943029   -0.000302968  5.13905e-005  38.9505  -102.471      42.6996  -109.89      7.61254  -148.877      
1 1 1 20 2  12 o 0 1.80001  0.610536  -0.073414     -0.00501759  0.000456005   -0.000545823  22.2031  7.57236       2.79915  179.871      23.5453  -173.341      
1 1 1 20 2  13 o 0 2.99933  0.464442  0.0248858     0.0354536    -8.7881e-005  6.1035e-005   57.4932  -150.164      185.401  -150.75      121.259  -151.061      
1 1 1 20 2  14 o 0 1.55546  0.774957  0.0431551     0.108329     -0.000371987  -0.000517046  38.3189  -81.9837      17.0165  -66.5886     25.4373  87.7869       
1 1 1 20 3  0  o 0 7.46324  0.125173  0.0858849     0            0             0             128.508  7.69072e-014  140.996  0            10.4296  -9.6279e-013  
1 1 1 20 3  1  o 0 16.6424  0.207646  -1.83324      1.02545      -0.649564     0.329773      571.738  148.79        794.758  140.728      238.035  120.87        
1 1 1 20 3  2  o 0 4.66309  0.17458   -1.01761      0.211041     -0.242408     0.0591949     57.0026  -78.2531      166.257  176.925      188.864  160.068       
1 1 1 20 3  3  o 0 15.8918  0.159776  0.0254571     3.41224      2.48491       1.96325       548.334  18.909        859.833  30.4597      325.261  50.869        
1 1 1 20 3  4  o 0 18.8857  0.0957018 0.980452      -0.266646    1.2938        0.122677      746.997  -10.2522      915.336  -6.50421     155.26   12.415        
1 1 1 20 3  5  o 0 12.6471  0.0975966 -2.85608      -0.829087    -5.67096      1.76982       507.103  -105.719      609.152  -104.96      86.5312  -100.374      
1 1 1 20 3  6  o 0 6.2013   0.112281  -0.72605      -0.495274    0.717789      -1.36187      316.417  113.144       277.663  174.96       313.387  -118.204      
1 1 1 20 3  7  f 1 2        0.354048  -0.0555464    0.0836914    0.114817      -0.0778962    125.745  147.122       83.0843  -31.6306     211.264  -32.3873      
1 1 1 20 3  8  o 0 9.24946  0.127815  0.650287      0.31224      -0.18058      0.465074      228.431  33.9662       599.274  37.5508      369.155  39.7916       
1 1 1 20 3  9  o 0 4.15757  0.768792  -2.69606      1.63097      -0.0736653    0.24777       163.967  -169.67       201.342  156.331      112.595  101.03        
1 1 1 20 3  10 o 0 4.59053  0.282464  -0.133395     0.0262408    0.00517881    0.00430804    168.894  28.9491       182.333  31.9671      15.5875  66.964        
1 1 1 20 3  11 o 0 2.07503  0.554193  0.320846      -0.0425403   0.0067272     0.0119855     183.429  -8.63846      17.8788  167.845      193.786  171.037       
1 1 1 20 3  12 o 0 2.56288  0.50836   -0.0297056    -0.19507     -0.00367852   -0.00179467   34.678   -96.9664      59.4754  -97.4578     26.6689  -98.0623      
1 1 1 20 3  13 o 0 1.87666  0.594123  -0.135445     -0.084489    0.00113926    0.000536534   43.9052  -151.213      66.0102  -150.576     16.2463  -148.625      
1 1 1 20 3  14 < 0 0        1.50603   -0.0586438    -0.0709942   4.40559e-005  0.000333211   ?        ?             35.3434  37.2498      ?        ?             
1 1 1 20 4  0  o 0 6.16441  0.134903  -0.0135086    1.65427e-018 0             0             235.208  -180          219.921  -180         12.1584  5.72846e-013  
1 1 1 20 4  1  o 0 2.1202   0.240097  -0.596917     0.66417      0.886099      1.59051       103.418  -69.912       117.425  129.081      215.987  120.28        
1 1 1 20 4  2  f 1 8.16039  0.118667  -0.223771     2.15057      1.41051       -0.251884     668.197  -166.112      198.009  105.704      694.303  30.4493       
1 1 1 20 4  3  o 0 8.36972  0.463001  13.0176       11.2759      -1.6036       -6.35857      227.295  147.754       621.668  75.6025      593.16   53.7987       
1 1 1 20 4  4  o 0 1.36141  0.377615  0.597149      0.461391     -0.016896     -0.162989     154.83   -56.213       145.041  107.821      299.759  116.139       
1 1 1 20 4  5  o 0 17.5688  0.0968152 0.235737      -0.00933564  0.123849      -0.0111825    663.765  -97.9113      857.784  -96.8116     181.096  -92.6953      
1 1 1 20 4  6  o 0 7.874    0.579289  6.06227       -6.75341     0.0118432     1.42909       427.615  -101.775      331.344  -44.022      383.037  31.2024       
1 1 1 20 4  7  o 0 3.03963  0.567063  2.95366       -1.6133      -0.243023     0.544902      148.791  -61.3517      107.017  4.82489      147.091  76.9226       
1 1 1 20 4  8  o 0 7.80025  0.274405  -0.370145     -1.37977     0.101854      -0.173492     389.575  -99.3715      311.878  -98.4687     80.2959  77.1201       
1 1 1 20 4  9  o 0 4.06242  0.269093  -0.260369     -0.180439    0.0406866     0.0903051     113.565  111.82        138.27   128.981      44.455   178.42        
1 1 1 20 4  10 o 0 5.00329  0.255262  -0.457799     -0.0596225   0.0735364     -0.00704747   201.793  130.245       212.127  142.586      45.5239  -144.906      
1 1 1 20 4  11 f 1 4.32157  0.320349  0.129251      0.152611     -0.00471857   0.000592949   157.365  162.431       209.988  158.648      61.7596  149.467       
1 1 1 20 4  12 f 1 2.63238  0.510459  0.00465416    0.100399     -0.00127894   -0.000477758  105.596  21.5933       91.5326  27.6115      34.198   -174.704      
1 1 1 20 4  13 o 0 0.435458 0.689516  -0.0489714    -0.110742    -0.00081376   0.000359702   41.9203  69.2385       44.7511  -110.969     92.8935  -110.861      
1 1 1 20 5  0  o 0 7.67463  0.128142  0.335638      0            0             0             73.5641  -5.19331e-014 222.955  0            148.745  2.59101e-014  
1 1 1 20 5  1  o 0 10.3905  0.374997  3.64077       6.81855      1.61826       -1.73345      452.656  35.8118       419.605  33.637       39.6484  -120.51       
1 1 1 20 5  2  o 0 15.0884  0.210524  -0.149895     3.07253      0.794131      -0.244426     776.553  132.189       524.24   129.288      257.789  -41.9034      
1 1 1 20 5  3  o 0 13.6871  0.181437  1.19075       4.25519      3.36803       -0.146824     590.254  92.9124       524.197  80.642       137.339  -32.8768      
1 1 1 20 5  4  o 0 2.98884  0.376873  1.01821       -1.03914     0.0159545     0.154843      231.149  -157.962      215.566  -17.9197     421.063  2.8428        
1 1 1 20 5  5  o 0 4.0878   0.206949  1.87992       -0.274919    -0.8113       0.0463717     205.29   -108.167      188.271  -14.7102     288.226  31.1391       
1 1 1 20 5  6  o 0 2.48458  0.753337  2.20165       0.999506     -0.11891      -0.123549     139.697  140.136       230.316  2.10971      348.802  -13.6574      
1 1 1 20 5  7  o 0 3.67831  0.233122  -0.0727016    -0.165858    0.0195743     -0.0032662    132.371  128.777       38.2961  -94.1306     165.189  -60.3045      
1 1 1 20 5  8  o 0 8.58426  0.17897   1.27708       -0.842588    0.140966      0.37029       413.073  4.46175       362.782  2.14866      52.7832  -159.433      
1 1 1 20 5  9  f 1 1.46614  0.524073  0.151661      -0.0991467   -0.0278285    -0.00816457   88.6831  -25.5333      42.1178  157.417      129.78   155.424       
1 1 1 20 5  10 o 0 1.70818  0.555001  0.143335      -0.1837      -0.0154542    0.009161      71.1835  153.603       49.2588  -35.7025     120.459  -30.1882      
1 1 1 20 5  11 o 0 2.88227  0.455401  0.189862      1.10855      0.00588709    0.104096      114.938  147.983       118.247  108.625      77.4965  43.3612       
1 1 1 20 5  12 o 0 2.80517  0.473314  0.189556      0.455726     -0.0094906    0.00184226    43.3025  -44.9061      86.9196  6.54711      68.0188  43.1523       
1 1 1 20 5  13 o 0 2.0087   0.598819  0.0332106     -0.220847    -0.00157546   -0.000784333  63.6214  -151.96       83.6363  -139.899     19.2333  -86.6411      
1 1 1 20 6  0  o 0 1.58114  0.394494  0.0436735     0            0             0             234.041  2.03711e-014  22.2693  0            208.729  -180          
1 1 1 20 6  1  o 0 11.7399  0.137707  -1.71465      -1.58152     0.792563      -1.53219      428.747  160.663       563.045  166.208      147.46   -177.687      
1 1 1 20 6  2  o 0 7.87975  0.116578  -2.13276      1.07757      -0.389702     1.55652       345.028  73.5225       297.527  82.6174      66.4695  -151.513      
1 1 1 20 6  3  o 0 6.55215  0.103166  -1.16163      -1.08506     1.17229       -2.33458      336.662  -100.486      155.477  -19.8731     343.719  53.0085       
1 1 1 20 6  4  o 0 11.3576  0.19012   2.06111       -3.32305     1.42425       1.34148       355.041  51.9337       686.283  2.59371      529.188  -27.7345      
1 1 1 20 6  5  o 0 21.3427  0.108657  -0.190153     -0.0542799   0.0181808     -0.0139655    800.914  144.231       1041.94  144.898      243.511  147.089       
1 1 1 20 6  6  o 0 10.1146  0.175942  -0.959548     0.359134     -0.0274782    0.214773      401.503  104.702       424.165  113.354      65.8735  -179.675      
1 1 1 20 6  7  o 0 3.31974  1.12559   -2.05192      0.66273      -0.0758323    0.0472317     106.007  -47.2343      208.642  175.109      294.41   161.278       
1 1 1 20 6  8  o 0 3.5068   0.275636  0.0335426     -0.078113    0.000436278   0.00595187    118.879  -67.0769      97.1483  -67.2599     20.8485  113.776       
1 1 1 20 6  9  o 0 2.43414  0.401696  -0.373568     -0.135961    -0.0492595    0.0260229     94.1529  -118.199      35.1167  -159.295     71.3625  80.6726       
1 1 1 20 6  10 o 0 3.32098  0.544709  -0.58703      0.0370822    -0.00547089   0.0191863     120.9    -135.786      144.703  -148.725     40.6072  171.281       
1 1 1 20 6  11 o 0 4.61934  0.299391  -0.720427     0.582571     0.0477327     -0.00819976   166.01   154.577       237.827  152.182      78.1148  147.27        
1 1 1 20 6  12 o 0 2.58748  0.480803  0.0263403     0.138086     -0.00230929   2.90172e-006  49.4228  47.575        148.366  50.6989      90.4317  52.7045       
1 1 1 20 6  13 o 0 3.08926  1.37998   -1.01128      0.0545802    -0.00683523   0.0204492     19.2379  -43.0496      111.762  -138.86      116.196  -149.932      
1 1 1 20 7  0  o 0 11.1982  0.119278  0.106112      0            0             0             585.901  180           475.77   180          89.2651  -1.11356e-013 
1 1 1 20 7  1  o 0 13.1821  0.13387   -0.857883     -1.67376     0.115929      -0.872987     654.365  -90.3917      454.422  -83.7442     189.123  73.4589       
1 1 1 20 7  2  o 0 13.293   0.577615  3.70278       -12.2108     2.29307       2.05964       599.273  -87.3069      518.645  -88.9505     64.4893  106.03        
1 1 1 20 7  3  o 0 10.4164  0.112129  1.81919       1.06592      0.2939        -2.44416      361.77   44.9504       417.796  5.59674      266.501  -51.2803      
1 1 1 20 7  4  o 0 5.83498  0.254163  2.37399       -0.0795208   -0.463894     0.105204      115.574  48.2627       294.533  10.2288      217.014  -8.47972      
1 1 1 20 7  5  o 0 7.50857  0.220011  -0.492127     -1.00575     0.0500506     -0.118968     157.102  146.259       340.531  -170.487     251.369  -145.572      
1 1 1 20 7  6  o 0 13.695   0.477327  -3.24957      1.90685      -0.0277653    0.46264       491.73   164.661       663.082  162.453      177.043  156.363       
1 1 1 20 7  7  o 0 5.87012  0.373687  -2.77244      -2.20402     0.0621343     -0.786082     224.469  168.723       287.162  -173.346     103.839  -132.913      
1 1 1 20 7  8  o 0 10.3733  0.132536  0.524343      0.54741      -0.117852     0.16013       288.469  91.7003       631.157  86.4918      349.843  82.2741       
1 1 1 20 7  9  o 0 2.92277  0.373083  -0.0694821    -0.449483    0.00945048    -0.0359085    147.2    103.618       22.2654  179.617      141.951  -85.1356      
1 1 1 20 7  10 f 1 2.00276  0.530807  0.0448635     -0.222753    0.00314587    -0.00924975   80.8624  128.096       10.1507  -173.257     71.4947  -58.8683      
1 1 1 20 7  11 o 0 1.4615   0.668587  0.455559      0.161189     -0.00109339   0.0288839     16.1455  -51.4466      30.7565  27.6499      31.7167  56.3365       
1 1 1 20 7  12 f 1 3.1185   0.453725  0.208465      0.646508     -0.00538311   0.0111759     93.9882  -32.68        205.381  -18.0124     104.047  -2.69204      
1 1 1 20 7  13 o 0 2.56007  0.75752   0.283375      0.116712     -0.00103446   0.0012082     61.7425  -164.258      130.88   -165.828     58.8485  -167.751      
1 1 1 20 8  0  o 0 17.2829  0.117808  0.345825      0            0             0             776.895  -5.22096e-015 716.079  0            14.5122  180           
1 1 1 20 8  1  o 0 8.51743  0.134115  -1.89501      -1.49624     0.469211      -2.29981      282.157  -87.5667      369.964  -63.4097     167.088  -22.5915      
1 1 1 20 8  2  o 0 4.97654  0.330508  -0.467805     -0.544655    0.00185313    -0.0307855    189.691  -34.1257      125.801  -100.057     172.71   -172.438      
1 1 1 20 8  3  o 0 3.83045  0.431772  2.53346       4.95886      0.650184      -1.06889      116.631  132.259       220.077  54.4938      224.621  25.4996       
1 1 1 20 8  4  o 0 17.1565  0.55633   12.8104       -12.4962     0.706174      4.29893       739.369  6.77568       741.543  -12.6619     247.03   -85.8514      
1 1 1 20 8  5  o 0 5.91838  0.612512  3.13136       4.32704      0.415593      -0.766001     190.341  54.9481       264.449  49.3508      83.0001  36.843        
1 1 1 20 8  6  o 0 1.81046  0.569347  0.572725      -0.350753    -0.0870081    0.0911084     117.903  -52.6636      22.128   96.821       131.81   122.446       
1 1 1 20 8  7  o 0 8.28843  0.17317   0.20634       0.247162     0.0217024     -0.0118258    330.019  -36.1603      392.241  -32.9713     77.6154  -19.832       
1 1 1 20 8  8  o 0 4.18962  0.258451  -0.430606     0.451189     -0.174917     -0.00894147   346.85   19.681        45.7812  106.364      336.872  -168.117      
1 1 1 20 8  9  o 0 3.52988  0.321067  -0.132564     -0.444137    -0.0184496    -0.0262173    149.142  -51.3021      141.627  -61.9793     26.2671  -143.91       
1 1 1 20 8  10 o 0 1.01597  0.674344  -0.17624      -0.183186    0.00749984    0.012307      52.9673  151.31        31.335   -49.6929     80.2452  -36.7356      
1 1 1 20 8  11 o 0 0.754078 0.738062  -0.234874     -0.0986204   -0.00236746   0.00756449    43.5612  14.7893       52.2168  -163.524     103.983  -164.364      
1 1 1 20 8  12 o 0 0.542746 0.731032  -0.065145     -0.299123    -0.00466113   -0.00308682   39.2929  158.083       39.257   -35.5555     84.4751  -28.208       
1 1 1 20 9  0  o 0 17.9276  0.124635  0.329221      0            0             0             675.522  180           722.446  180          104.585  -180          
1 1 1 20 9  1  o 0 4.73876  0.523306  -6.4917       -3.10556     -0.913116     -0.973416     270.612  -108.994      169.953  -178.35      247.551  110.982       
1 1 1 20 9  2  o 0 19.1825  0.090593  -0.292881     -1.42635     0.397217      1.66046       756.255  -142.604      842.509  -138.973     148.233  -121.509      
1 1 1 20 9  3  f 1 13.1644  0.0892097 0.251606      0.0325002    -0.0318261    0.0305596     513.967  65.541        560.306  63.4997      88.809   52.5542       
1 1 1 20 9  4  o 0 4.69616  0.152057  -0.115645     0.118519     0.10127       0.00742981    265.978  -144.424      40.3238  161.891      229.092  43.7294       
1 1 1 20 9  5  o 0 7.3308   0.477705  -1.33452      0.408232     -0.0785376    0.0247316     311.765  -166.902      314.166  -173.231     41.7617  137.069       
1 1 1 20 9  6  o 0 8.69039  0.121954  -0.660076     -0.810709    -0.990832     0.22226       409.434  -93.6239      355.52   -98.4509     41.4858  132.522       
1 1 1 20 9  7  f 1 7.05191  0.141663  -1.04598      1.13971      0.984053      -1.1713       210.837  44.4257       310.389  53.1419      120.225  67.457        
1 1 1 20 9  8  o 0 1.58114  0.484436  0.298804      0.0542155    0.0597262     0.101852      28.6844  79.1005       21.6656  -26.8983     39.3141  -68.9113      
1 1 1 20 9  9  f 1 1.29723  0.63214   -0.122626     -0.101785    0.0020229     -0.00315562   119.635  161.469       49.4628  -26.2707     158.355  -20.9422      
1 1 1 20 9  10 < 0 0        1.43954   -0.10136      0.019834     0.00174925    0.00355339    ?        ?             62.5753  0.0795934    ?        ?             
1 1 1 20 9  11 o 0 3.04326  0.659488  0.573298      0.166685     -0.00861294   0.0103337     99.1688  92.9021       191.981  80.695       84.1025  64.0421       
1 1 1 20 9  12 < 0 0        1.51335   0.00215745    0.368951     -0.00565559   0.00694405    ?        ?             137.449  -24.0217     ?        ?             
1 1 1 20 10 0  o 0 5.88218  0.189314  0.0259401     0            0             0             245.727  -3.84699e-014 189.281  0            28.6465  180           
1 1 1 20 10 1  o 0 4.32302  0.182591  0.469842      -0.0634083   -0.181856     0.217528      46.3442  147.396       68.3468  0.935413     105.516  -11.634       
1 1 1 20 10 2  o 0 9.5816   0.254812  0.291972      0.869036     0.0399441     -0.106514     477.031  62.5572       281.797  66.0678      151.492  -123.983      
1 1 1 20 10 3  f 1 0.95698  0.491946  0.199745      0.456449     0.064137      -0.124812     162.277  69.3234       120.819  -110.525     266.719  -110.608      
1 1 1 20 10 4  o 0 5.28819  0.354435  -3.34223      1.31368      -0.932341     0.48347       324.771  -174.243      122.889  171.171      175.511  15.9126       
1 1 1 20 10 5  f 1 11.5344  0.540293  -4.19145      -5.43648     -0.0924762    -1.15379      383.646  -126.501      608.996  -123.694     267.391  -120.099      
1 1 1 20 10 6  o 0 11.2401  0.201029  -0.0443615    1.321        0.0773507     -0.124446     386.066  136.296       581.359  132.53       229.702  126.727       
1 1 1 20 10 7  o 0 4.40545  0.796577  4.56607       3.17342      -0.0663062    -0.422195     124.26   37.3271       234.879  33.1176      120.468  29.0988       
1 1 1 20 10 8  o 0 2.96435  0.294157  -0.0521025    0.36757      -0.0592625    -0.0124964    183.945  170.854       61.0964  149.812      110.748  2.27939       
1 1 1 20 10 9  o 0 3.24502  0.36457   0.410164      -0.208031    0.0239821     0.00548492    100.32   -68.0758      135.279  -56.9281     49.0579  -35.858       
1 1 1 20 10 10 o 0 0.929305 0.717507  -0.46749      -0.17014     -0.00146852   0.0386583     69.8302  122.854       57.2683  -81.3948     134.268  -67.235       
1 1 1 20 10 11 o 0 1.38124  0.656568  -0.148008     -0.216017    -0.00119932   0.00500742    59.511   -47.9257      20.8406  -101.238     57.2845  149.036       
1 1 1 20 10 12 f 1 1.3734   0.668972  0.207088      -0.126854    0.000624386   -0.00124007   42.0082  88.2818       15.5085  7.96832      46.9454  -72.7137      
1 1 1 20 11 0  o 0 7.81665  0.169014  0.294065      0            0             0             258.138  -4.92545e-014 281.911  0            60.6923  1.79529e-013  
1 1 1 20 11 1  o 0 7.13566  0.504745  2.25731       4.26354      0.722843      -0.653778     429.913  51.0249       132.228  51.3188      241.273  -129.136      
1 1 1 20 11 2  o 0 16.5898  0.363354  -4.00154      -0.834104    -0.890186     0.184331      641.324  -140.001      738.32   -140.358     205.571  -141.283      
1 1 1 20 11 3  o 0 3.2604   0.238607  -0.148648     0.0973297    0.0109024     0.029262      178.37   72.9436       46.9652  86.9372      109.454  -113.012      
1 1 1 20 11 4  o 0 6.48531  0.178595  0.999168      -0.213879    -0.270775     -0.0697938    218.641  -110.331      302.098  -90.4256     138.54   -62.3934      
1 1 1 20 11 5  o 0 2.55996  0.323009  0.305747      0.473068     -0.302511     -0.18489      155.669  115.861       40.0049  52.4832      124.885  -47.4981      
1 1 1 20 11 6  < 0 0        1.14018   -0.319747     -0.24136     -0.0844438    -0.0704912    ?        ?             42.4489  -74.7282     ?        ?             
1 1 1 20 11 7  o 0 5.60431  0.181938  -1.48749      -0.634978    0.181776      -0.455966     170.985  -70.3216      260.196  -91.2495     128.389  -116.699      
1 1 1 20 11 8  o 0 3.36111  0.545168  0.581224      -0.841475    0.048946      0.0229291     38.5402  -113.556      154.034  -77.4221     128.244  -68.4624      
1 1 1 20 11 9  o 0 1.91432  0.515644  0.0693386     -0.0663599   0.00100141    -0.000635843  82.5515  -175.343      7.95287  -135.209     67.4389  0.297797      
1 1 1 20 11 10 o 0 1.28899  0.710879  0.179452      -0.0529398   -0.00348081   -0.00135417   62.7946  -112.881      34.0249  45.5904      102.709  60.1366       
1 1 1 20 11 11 o 0 3.81802  0.403155  0.339909      -0.159593    0.00327369    0.00107727    82.2518  89.8173       274.327  83.7322      184.169  80.7324       
1 1 1 20 12 0  o 0 1.64317  0.562668  -0.0276986    3.39198e-018 0             0             308.86   3.26522e-014  47.4866  0            200.97   -180          
1 1 1 20 12 1  o 0 5.67987  0.167867  0.178774      0.332106     -0.227733     0.407577      248.653  -142.124      195.594  -135.995     22.663   -29.2711      
1 1 1 20 12 2  o 0 3.07104  0.269168  0.287004      0.474452     -0.119281     -0.331989     77.9166  -143.616      34.0689  92.227       88.3158  54.9995       
1 1 1 20 12 3  o 0 12.0451  0.169074  0.558639      -1.93243     -0.158462     1.01818       389.153  -16.8126      588.586  -18.2697     262.424  -20.0821      
1 1 1 20 12 4  o 0 7.52621  0.123375  -0.956891     1.61173      -1.13758      0.840931      347.799  85.1689       282.25   84.6598      13.0725  -83.7714      
1 1 1 20 12 5  o 0 3.57078  0.296315  1.24483       0.710372     0.0144173     -0.265279     35.5414  31.9545       154.801  25.2488      124.565  23.6107       
1 1 1 20 12 6  f 1 4.5505   0.209613  0.13441       0.478946     -0.0201294    -0.0705404    182.435  -26.6425      153.634  -12.456      38.2909  73.8363       
1 1 1 20 12 7  o 0 4.83014  0.217651  0.0507121     -0.620648    -0.0722317    -0.0470284    58.3041  -7.20396      245.058  -28.1087     199.826  -33.1536      
1 1 1 20 12 8  f 1 5.66173  0.337495  0.0880098     1.82538      0.0264575     -0.187083     238.158  123.084       248.977  115.279      57.3447  86.9523       
1 1 1 20 12 9  o 0 4.00562  0.257248  -0.0250451    0.424432     -0.0148599    -0.00273408   73.2818  -126.478      203.793  -137.616     127.206  -144.505      
1 1 1 20 12 10 o 0 2.25252  0.508225  -0.212295     -0.558192    -0.0233836    0.00271098    35.0324  -31.8899      101.323  -67.2583     74.0886  -84.2259      
1 1 1 20 12 11 o 0 1.18471  0.746228  -0.41429      0.186663     0.00743855    0.00930846    44.2048  -113.623      26.9104  145.983      58.7182  93.1703       
1 1 1 20 13 0  o 0 7.4364   0.190067  0.276849      0            0             0             282.098  -180          267.182  -180         49.5781  180           
1 1 1 20 13 1  o 0 12.1021  0.294049  0.605704      1.15599      0.160815      -0.0358641    490.797  6.24035       483.88   10.0275      102.299  24.4456       
1 1 1 20 13 2  o 0 3.92801  0.229805  -1.51303      0.0971463    -0.396064     0.236467      134.947  -157.233      133.103  -161.648     27.0273  -179.509      
1 1 1 20 13 3  o 0 3.83512  0.219614  -0.459989     0.200852     0.0235944     0.106646      205.316  143.471       78.6625  152.579      89.3194  -44.5431      
1 1 1 20 13 4  o 0 3.55439  0.360926  -1.85383      0.398944     -0.200728     0.231591      200.447  -126.718      99.8451  -179.693     131.131  90.7194       
1 1 1 20 13 5  f 1 1.41627  0.467139  -0.817902     0.650539     -0.325865     0.220789      117.871  -129.353      75.9494  81.6647      166.039  64.2802       
1 1 1 20 13 6  o 0 7.83031  0.143947  0.539416      -1.79275     -0.40788      -0.203539     288.93   -52.5087      364.36   -58.6888     134.737  -69.4336      
1 1 1 20 13 7  o 0 3.432    0.287937  -0.444073     0.428559     0.0443424     0.00747338    30.0574  -49.8655      9.48921  -170.036     30.4559  145.761       
1 1 1 20 13 8  o 0 2.19671  1.01876   -0.378856     0.25198      -0.0138854    0.0053246     40.8301  94.044        49.004   128.595      28.5675  170.662       
1 1 1 20 13 9  o 0 2.50398  0.382836  0.330993      -0.153651    0.00327908    -0.0136158    90.5981  -37.9547      121.546  -35.6497     29.3239  -28.3583      
1 1 1 20 13 10 o 0 3.83691  0.375269  0.197205      0.239819     -0.00102453   0.00216013    97.9731  115.605       252.792  111.417      152.139  108.636       
1 1 1 20 13 11 < 0 0        1.47469   0.136462      -0.232694    0.00237046    -0.00413153   ?        ?             59.8871  -95.6935     ?        ?             
1 1 1 20 14 0  o 0 7.65506  0.203528  -0.00151863   1.85973e-019 0             0             304.757  -1.86017e-014 262.794  0            38.2807  1.09097e-013  
1 1 1 20 14 1  o 0 7.66909  0.137545  0.267706      0.324042     0.00693347    0.108238      223.762  -122.861      329.167  -123.252     160.893  -123.661      
1 1 1 20 14 2  o 0 7.43519  0.13927   1.01755       0.815711     -0.560198     0.0392456     295.805  101.154       284.574  87.0635      85.2245  46.772        
1 1 1 20 14 3  f 1 2.97676  0.410679  0.820456      -1.08735     -0.0240619    0.170965      192.059  66.9898       87.5529  -33.4091     184.144  -85.1284      
1 1 1 20 14 4  o 0 4.47214  0.205582  0.263794      0.851557     -0.808064     0.405985      129.35   102.03        197.829  78.5584      111.969  57.3049       
1 1 1 20 14 5  o 0 2.68738  0.340423  0.58358       0.313745     0.0405585     -0.0579475    68.9461  122.721       57.2452  41.5199      73.0825  -6.55712      
1 1 1 20 14 6  o 0 5.82927  0.189186  0.544242      -0.359684    0.056019      0.000583622   323.7    12.1023       172.421  7.21517      81.2101  -157.477      
1 1 1 20 14 7  o 0 0.830539 0.620191  0.350192      -0.33994     -0.0399381    0.0258761     53.4509  -133.092      34.7159  21.7152      74.9407  35.5355       
1 1 1 20 14 8  f 1 3.0563   0.334659  -0.204577     0.242401     -0.00942864   -0.0111584    77.0477  143.782       131.559  140          56.5703  134.959       
1 1 1 20 14 9  o 0 1.53508  0.723793  0.496424      0.453487     -0.045884     0.00331373    98.2943  144.22        35.6459  61.0763      98.9549  -14.8243      
1 1 1 20 14 10 o 0 2.43868  1.07601   0.170242      -0.484178    -0.00485613   0.00895535    49.3037  -59.5245      125.645  -63.3962     76.8431  -65.8631      
1 1 1 20 15 0  o 0 5.33854  0.25876   0.132471      0            0             0             255.898  -180          172.754  -180         6.55687  4.44823e-014  
1 1 1 20 15 1  o 0 4.76246  0.217147  0.621269      0.625954     0.104789      -0.0940832    199.283  -72.7522      137.698  -41.7513     75.1358  36.5286       
1 1 1 20 15 2  o 0 1.22175  0.584671  -1.92757      -0.133246    -0.307098     0.0141684     64.7271  37.1283       89.1914  -162.731     134.634  -155.877      
1 1 1 20 15 3  o 0 2.65906  0.320911  -0.437859     -0.348737    0.0269825     -0.050903     187.395  -129.339      7.8839   155.879      137.36   53.8363       
1 1 1 20 15 4  o 0 4.58008  0.208349  -1.08188      -0.0166815   0.163718      0.254054      208.596  150.098       151.606  164.906      39.0396  -112.879      
1 1 1 20 15 5  o 0 4.50819  0.20736   0.167118      0.99043      -0.257933     -0.0218201    167.957  27.1307       173.148  45.6705      68.4254  80.7019       
1 1 1 20 15 6  o 0 7.24172  0.159288  0.312133      -0.913565    -0.0846872    0.0102868     236.702  75.4674       324.452  72.0099      148.83   67.9126       
1 1 1 20 15 7  o 0 3.72544  0.284164  -0.500166     -0.470985    0.00266121    0.0586096     186.834  -12.0503      127.326  -26.2349     60.9575  -161.263      
1 1 1 20 15 8  o 0 2.05988  0.432327  0.136537      0.09095      -0.00111152   0.00331429    42.6917  -49.9094      62.199   -37.8899     24.7128  -18.3         
1 1 1 20 15 9  o 0 2.03247  0.47511   0.293078      -0.300848    0.00418351    -0.0114102    72.8663  -16.4912      76.45    -25.7823     14.0928  -77.6348      
1 1 1 20 15 10 < 0 0        1.31215   -0.151761     0.0879816    -0.000902649  -0.0029767    ?        ?             91.534   28.0639      ?        ?             
1 1 1 20 16 0  o 0 2.32379  0.502789  -0.181421     2.2217e-017  0             0             39.0388  180           25.3938  180          0.5203   -3.40107e-012 
1 1 1 20 16 1  o 0 7.74504  0.232138  0.481064      2.35592      0.489301      0.26939       292.299  58.2497       270.804  57.0139      72.1443  53.6063       
1 1 1 20 16 2  o 0 3.84354  0.605434  -1.28408      1.22967      -0.0906901    0.111618      152.651  148.67        124.277  140.811      27.0894  109.82        
1 1 1 20 16 3  o 0 3.42705  0.258965  -0.164676     -0.296832    -0.0460801    0.0168479     176.409  -45.3046      80.2747  -57.606      44.9718  157.048       
1 1 1 20 16 4  o 0 5.68222  0.185676  1.02306       0.599371     -0.108099     0.150736      249.379  -39.6691      190.655  -29.3083     37.495   26.4633       
1 1 1 20 16 5  o 0 2.4064   0.331608  0.0465434     -0.271664    -0.00306784   -0.0197944    118.735  175.351       34.3765  -160.608     53.7117  -19.7633      
1 1 1 20 16 6  o 0 2.81909  0.571836  0.403462      -0.0207812   -0.00299664   0.0121599     135.361  -19.7254      63.7265  -14.0655     33.3333  149.406       
1 1 1 20 16 7  f 1 2.25628  0.405304  0.0573564     -0.123638    0.00111374    -0.00281423   150.958  -16.7361      43.9862  -21.6376     86.8754  165.743       
1 1 1 20 16 8  o 0 2.55656  0.37676   -0.0505087    -0.235717    -0.0021339    0.00280053    58.6109  57.7212       100.936  53.948       49.0877  49.9444       
1 1 1 20 16 9  o 0 2.18982  0.412341  0.503927      0.917952     -0.0565865    0.0468918     118.767  77.8203       67.217   67.9289      42.0353  -86.2363      
1 1 1 20 17 0  o 0 1.87083  0.586689  0.0444501     0            0             0             45.9365  180           14.5583  180          13.1276  -4.0119e-013  
1 1 1 20 17 1  o 0 3.82948  0.250949  0.313335      0.187797     0.0397677     0.0160613     28.3297  -24.2593      91.6375  -3.77397     75.4702  0.887438      
1 1 1 20 17 2  o 0 3.52645  0.254305  0.888213      0.134752     0.029087      -0.137335     167.959  30.2176       87.7604  18.3104      27.2489  -108.137      
1 1 1 20 17 3  o 0 4.9463   0.21056   -0.632386     -0.351733    0.0845726     0.0533274     199.016  -34.8085      157.774  -42.2707     34.8043  -70.8759      
1 1 1 20 17 4  f 1 5.91615  0.184187  -0.690911     -1.06837     -0.113531     0.181241      325.68   -133.037      153.656  -129.578     57.6128  37.7024       
1 1 1 20 17 5  o 0 2.36705  0.380548  -0.333216     0.351622     -0.0321468    -7.97804e-005 80.1255  113.172       62.8845  122.433      11.0614  -133.02       
1 1 1 20 17 6  o 0 2.81639  0.412568  -0.118476     0.046708     -0.000861155  -0.0015257    156.935  107.527       59.3607  113.031      73.1812  -76.9349      
1 1 1 20 17 7  o 0 2.76923  0.804449  -0.608115     -0.127528    -0.0146312    0.00822921    54.3211  -76.6419      124.225  -99.1504     84.1844  -111.037      
1 1 1 20 17 8  f 1 3.3745   0.465204  -0.19961      0.320581     -0.00413567   0.000865718   50.6785  -155.257      172.403  -166.07      131.315  -169.515      
1 1 1 20 18 0  o 0 0        1.76068   -0.151803     1.85899e-017 0             0             41.5483  1.62981e-013  0        0            23.5399  -180          
1 1 1 20 18 1  o 0 4.29953  0.234817  0.507771      0.409174     0.0635904     0.0662808     320.97   90.7961       45.424   73.0645      144.314  -83.7029      
1 1 1 20 18 2  o 0 3.6802   0.531526  1.88357       1.11595      -0.21788      -0.0569747    218.764  35.9727       67.9176  38.2533      62.6113  -146.501      
1 1 1 20 18 3  o 0 3.31522  0.430731  0.19582       -0.518093    -0.0157568    0.0243318     84.2762  99.2974       67.2007  90.8132      18.1508  66.1884       
1 1 1 20 18 4  o 0 4.02898  0.24434   -0.0252534    -0.0835319   -0.00273638   0.000289574   172.783  -48.6476      137.197  -50.349      5.48065  -96.6571      
1 1 1 20 18 5  o 0 4.65863  0.424135  -0.0172884    0.307764     -0.0022739    0.00551079    272.122  125.045       121.674  122.266      92.0813  -51.2815      
1 1 1 20 18 6  o 0 3.83973  0.459013  0.305818      0.295666     0.00758079    0.00100969    192.511  -45.1138      131.613  -39.9829     22.1374  102.767       
1 1 1 20 18 7  o 0 1.76744  0.476224  -0.0317051    -0.106392    -0.000892394  -0.000446069  129.74   -132.722      12.5714  -124.883     89.7472  46.1829       
1 1 1 20 18 8  o 0 0.928106 0.651621  -0.131213     -0.319955    0.0041366     0.00867035    76.1189  -95.2067      20.625   93.8698      81.0192  87.0949       
1 1 1 20 19 0  o 0 1        0.746337  0.126908      0            0             0             92.544   -1.7111e-013  11.2415  0            37.8706  180           
1 1 1 20 19 1  o 0 3.98175  0.265736  0.0900929     -0.156055    8.48519e-005  -0.00332208   221.132  129.453       90.4561  130.193      60.2876  -51.6577      
1 1 1 20 19 2  o 0 1.14018  0.5457    0.208499      -0.120789    0.0141795     -0.0133706    72.9655  -39.8993      20.6083  135.611      71.5299  138.808       
1 1 1 20 19 3  o 0 1.49831  0.480242  -0.116783     -0.0751469   0.00264774    0.0044249     125.67   146.494       29.9247  -43.9354     119.193  -36.1111      
1 1 1 20 19 4  o 0 3.80465  0.269239  -0.543292     -0.663738    0.0299585     0.0579377     186.886  -119.157      122.396  -121.846     12.0866  89.2059       
1 1 1 20 19 5  f 1 4.11754  0.262354  0.302781      0.779683     -0.0199808    0.0397007     216.996  -97.3418      127.069  -95.8037     27.5212  75.539        
1 1 1 20 19 6  o 0 3.78706  0.312815  0.254539      0.54241      -0.00756291   0.0160423     106.342  -100.302      168.152  -98.0998     90.4172  -96.2041      
1 1 1 20 19 7  o 0 1.36308  0.531074  0.169771      -0.434019    -0.019652     -0.0147367    33.7928  179.622       20.7683  -83.1154     34.4819  -37.066       
1 1 1 20 20 0  o 0 5.31037  0.433854  -0.279646     3.42457e-017 0             0             348.288  -180          159.036  -180         51.831   9.52545e-014  
1 1 1 20 20 1  f 1 3.14643  0.44193   0.145611      0.0840683    0             0             43.9871  -150          64.2424  -150         37.2275  -150          
1 1 1 20 20 2  o 0 0        1.70294   0.0299917     0.0519472    0             0             40.999   -120          0        0            26.2263  60            
1 1 1 20 20 3  o 0 3.03315  0.429317  -9.30403e-018 -0.0506505   0             0             123.341  -90           97.1884  -90          16.5631  -90           
1 1 1 20 20 4  o 0 3.53553  0.403737  0.0163451     -0.0283106   0             0             157.723  -60           116.366  -60          11.3466  -60           
1 1 1 20 20 5  f 1 0        1.73205   -0.088265     0.0509598    0             0             69.1034  150           0        0            46.0292  -30           
1 1 1 20 20 6  o 0 1.97484  0.66874   0.204171      0            0             0             52.3881  0             49.1133  0            13.201   0             
1 1 1 21 0  0  o 0 22.9761  0.164212  -0.0957745    1.17286e-017 0             0             912.054  6.03873e-014  1063.25  0            97.059   -6.01138e-013 
1 1 1 21 0  1  f 1 18.7003  0.11163   -0.251441     -0.435509    0             0             469.009  60            850.485  60           366.533  60            
1 1 1 21 0  2  f 1 2.23607  0.276641  0.0222527     -0.0385428   0             0             320.048  -60           30.8941  -60          295.576  120           
1 1 1 21 0  3  o 0 8.80909  0.123138  -0.668752     8.18958e-017 0             0             506.646  180           394.621  180          120.751  -2.93379e-014 
1 1 1 21 0  4  o 0 11.4018  0.108593  0.14107       0.24434      0             0             358.142  60            528.127  60           150.928  60            
1 1 1 21 0  5  o 0 24.2054  0.137614  -0.648751     1.12367      0             0             928.813  120           1115.26  120          143.941  120           
1 1 1 21 0  6  o 0 3.97492  0.248171  0.115404      0            0             0             33.279   -180          1.98596  0            36.5655  2.00757e-014  
1 1 1 21 0  7  o 0 2.48998  0.43798   -0.038497     -0.0666788   0             0             58.6667  60            4.34471  60           56.1985  -120          
1 1 1 21 0  8  o 0 6.31664  0.229013  -0.0315112    0.0545789    0             0             233.746  120           239.882  120          0.707006 120           
1 1 1 21 0  9  o 0 10.0648  0.185333  0.0366191     0            0             0             593.55   180           462.691  180          122.785  -1.17861e-014 
1 1 1 21 0  10 f 1 1.14018  0.834666  -0.0375214    -0.064989    0             0             116.575  60            9.97854  60           101.532  -120          
1 1 1 21 0  11 o 0 1.87083  0.726661  0.00881396    -0.0152662   0             0             28.371   -60           17.4777  -60          8.50671  120           
1 1 1 21 0  12 o 0 3.06594  0.591781  0.0856222     0            0             0             14.4213  1.0466e-014   32.3351  0            19.4662  -6.91897e-015 
1 1 1 21 0  13 o 0 2.30217  0.776302  0.0996301     0.172564     0             0             76.9637  -120          94.1895  -120         12.937   -120          
1 1 1 21 0  14 o 0 0        2.25832   -0.0154647    0.0267856    0             0             79.6061  120           0        0            80.7887  -60           
1 1 1 21 1  0  o 0 19.321   0.108084  -0.317153     3.88388e-017 0             0             810.39   180           872.21   180          35.3846  -180          
1 1 1 21 1  1  o 0 4.50737  0.418695  -8.13163      9.56761      0.57222       6.62634       332.41   81.9924       14.8379  -11.6374     341.599  -95.5231      
1 1 1 21 1  2  o 0 3.06517  0.516012  3.04404       -4.29074     0.271134      0.905371      119.441  -59.8899      109.864  -52.8029     17.6206  69.8235       
1 1 1 21 1  3  o 0 9.11405  0.301068  -5.72063      -6.89526     0.059957      -4.38376      544.48   -22.742       470.121  -101.496     646.074  -157.206      
1 1 1 21 1  4  o 0 15.712   0.0984377 -0.348892     3.68996      3.42278       -2.26118      775.877  141.112       617.221  152.169      232.114  -69.5517      
1 1 1 21 1  5  o 0 6.56076  0.62643   4.1499        16.7886      3.73197       -1.58393      304.095  30.7543       302.202  78.8145      251.357  147.334       
1 1 1 21 1  6  f 1 10.2485  0.093782  -0.435454     -0.0489103   -0.188925     0.290938      475.734  -78.1023      396.006  -94.2049     150.231  148.877       
1 1 1 21 1  7  o 0 14.6827  0.234466  -1.74758      -1.21599     -0.183791     -0.22         570.337  -84.2538      703.996  -94.9643     168.176  -135.329      
1 1 1 21 1  8  o 0 6.874    0.155163  -0.167621     0.00453144   0.0350351     -0.0188631    223.024  170.739       255.235  171.365      27.2515  176.611       
1 1 1 21 1  9  o 0 7.78561  0.171572  -1.48033      -0.0198649   -0.291409     -0.454524     206.854  -179.171      464.565  172.667      263.44   166.331       
1 1 1 21 1  10 o 0 3.65576  0.31905   0.113004      0.22955      0.0138286     0.00560479    79.6527  33.3633       116.175  41.5026      40.4876  57.3327       
1 1 1 21 1  11 o 0 3.361    0.556648  -0.57026      -0.358823    -0.0264958    0.00198345    78.9024  -135.962      161.765  -139.475     88.811   -142.371      
1 1 1 21 1  12 o 0 3.69406  0.378427  0.0748463     0.0981854    -0.00121604   0.000294526   172.643  84.1962       132.233  82.5187      24.9637  -86.8832      
1 1 1 21 1  13 f 1 0.682219 0.777294  0.263517      -0.0808403   0.00252474    -0.00250074   55.9881  75.4975       42.5247  -91.4048     101.442  -99.0514      
1 1 1 21 1  14 o 0 1.82393  0.670474  0.28694       0.123056     0.00109459    0.00028599    98.7671  -151.648      35.0764  -148.9       68.1037  26.9374       
1 1 1 21 2  0  o 0 10.7657  0.105776  0.557101      0            0             0             386.072  1.67773e-014  474.398  0            87.9069  -7.37631e-014 
1 1 1 21 2  1  o 0 4.89417  0.186015  2.49644       -0.24394     -1.31938      0.0118327     192.229  -45.8175      141.774  -40.3037     51.9687  118.986       
1 1 1 21 2  2  f 1 15.9253  0.196645  0.443431      2.52737      1.13073       0.206339      550.511  53.8274       808.288  48.1358      279.952  37.1885       
1 1 1 21 2  3  o 0 20.1267  0.132399  -2.21945      4.8601       4.84505       0.49814       964.079  -174.605      828.123  171.07       278.337  52.801        
1 1 1 21 2  4  o 0 8.48767  0.0990693 0.107788      0.0810794    -0.0745144    0.0443888     201.374  45.4521       409.296  47.2774      203.171  49.1312       
1 1 1 21 2  5  f 1 8.65616  0.571941  11.045        4.90067      -1.99218      -1.8143       246.355  40.108        477.654  32.6956      233.657  24.8165       
1 1 1 21 2  6  o 0 4.94715  0.675944  1.50296       12.4287      2.58107       -0.442093     318.958  46.8633       158.487  114.424      303.552  -161.99       
1 1 1 21 2  7  o 0 8.2373   0.299947  1.33289       0.756317     -0.0442236    -0.136218     357.587  66.7298       314.158  50.5985      108.257  -59.5363      
1 1 1 21 2  8  o 0 14.5827  0.105748  -0.554527     0.50903      0.228048      -0.117177     565.939  105.274       770.723  107.634      208.69   114.021       
1 1 1 21 2  9  o 0 1.55745  0.725465  0.247682      -0.474242    0.0547826     0.022274      67.6579  118.563       74.0974  -61.8686     141.259  -61.6633      
1 1 1 21 2  10 o 0 2.48168  1.12391   -0.0847415    0.261402     0.00475241    0.00146971    82.8995  45.981        30.2539  99.7368      68.3425  -154.937      
1 1 1 21 2  11 o 0 3.45421  0.382167  -0.192261     -0.479443    -0.0302202    -0.00542734   180.167  -49.6415      112.884  -64.2305     66.1712  155.807       
1 1 1 21 2  12 o 0 2.9535   0.475524  -0.187852     -0.0100301   0.000352393   0.0013611     16.4779  146.395       64.8955  162.448      46.9527  168.864       
1 1 1 21 2  13 o 0 2.49259  1.1309    0.460459      0.600133     -0.0186676    -0.00569751   63.5999  54.8822       150.134  54.6226      79.9985  54.395        
1 1 1 21 2  14 o 0 1.10283  0.78104   -0.0706428    0.204771     0.000652292   -0.00121695   24.1921  -30.8627      15.8459  118.461      40.3638  137.584       
1 1 1 21 3  0  o 0 2.25832  0.308981  -0.0659209    8.07272e-018 0             0             130.529  180           29.5356  180          103.989  -5.07336e-014 
1 1 1 21 3  1  o 0 17.3997  0.676543  -15.6134      15.0193      -1.13486      5.75018       714.817  -170.849      832.129  168.521      297.443  108.865       
1 1 1 21 3  2  f 1 9.3557   0.337422  -2.14923      -4.04783     0.713497      -0.767311     250.884  -176.903      540.853  -147.893     343.712  -127.162      
1 1 1 21 3  3  o 0 6.62623  0.123319  -1.50051      -1.96347     -0.100344     -1.74965      180.176  -31.2745      382.301  -75.9918     283.384  -102.935      
1 1 1 21 3  4  o 0 16.4668  0.201975  0.285855      -2.46464     0.803648      0.830419      703.278  -113.087      722.586  -118.105     63.7045  164.089       
1 1 1 21 3  5  o 0 4.76942  0.339007  -1.88703      0.664106     -0.20194      0.21154       217.682  150.412       128.761  165.132      101.464  -48.4005      
1 1 1 21 3  6  o 0 4.47936  0.207336  0.138472      0.772184     0.108411      -0.0132385    112.191  166.367       132.039  92.5799      148.374  45.0725       
1 1 1 21 3  7  o 0 4.40344  0.404284  1.20833       -1.76201     0.0390442     0.382557      160.108  -70.8824      147.015  -58.3197     37.4534  50.4928       
1 1 1 21 3  8  o 0 7.38278  0.151835  -0.148126     0.556685     0.091102      -0.0618374    327.949  -169.82       325.76   -177.909     45.971   95.7772       
1 1 1 21 3  9  o 0 5.31996  0.248699  1.54398       1.03661      -0.380487     -0.152531     149.057  99.0022       304.586  72.8389      183.635  52.0024       
1 1 1 21 3  10 o 0 0.855407 0.636515  0.183574      -0.0191742   0.0366519     0.00739452    136.638  -52.3908      112.563  124.829      247.834  126.347       
1 1 1 21 3  11 o 0 1.76068  0.56218   -0.389739     -0.2622      0.0154399     0.0412696     47.426   -164.312      33.6168  -144.848     17.2962  -24.6761      
1 1 1 21 3  12 o 0 2.83142  0.47951   -0.0071272    -0.31374     -0.00450232   -0.00169537   78.3527  146.021       101.441  165.151      33.5359  -131.547      
1 1 1 21 3  13 < 0 0        1.54616   -0.00242303   -0.0843299   -0.000588185  -0.000248172  ?        ?             73.1311  29.5844      ?        ?             
1 1 1 21 4  0  o 0 5.27257  0.156497  0.0095955     0            0             0             416.576  180           218.354  180          198.866  -1.7086e-014  
1 1 1 21 4  1  o 0 2.03228  0.240354  -0.74322      -0.0262637   -1.30409      0.504036      142.829  5.82028       154.737  -173.699     297.625  -173.93       
1 1 1 21 4  2  o 0 16.7087  0.177006  2.63259       -1.84881     0.1588        1.11965       755.317  18.3695       687.65   13.144       93.7715  -119.726      
1 1 1 21 4  3  o 0 9.62292  0.452797  1.59077       1.82461      -0.000769512  -0.166709     356.637  19.103        435.524  33.4886      126.585  77.8403       
1 1 1 21 4  4  o 0 1.89971  0.313159  0.316559      -0.276873    -0.0622209    0.142095      78.547   145.634       92.67    -37.165      171.174  -35.8807      
1 1 1 21 4  5  o 0 11.0782  0.108504  1.58034       0.569265     -3.06693      1.67551       424.929  92.586        554.323  66.4514      254.385  18.8785       
1 1 1 21 4  6  f 1 8.84812  0.115611  -0.0696639    0.51196      0.0704209     0.116646      358.525  -83.9834      328.866  -88.2631     37.0471  137.503       
1 1 1 21 4  7  o 0 2.41129  0.311577  0.2008        -0.0591909   -0.104984     -0.167518     53.1124  166.809       17.8548  -6.36858     70.1776  -11.4587      
1 1 1 21 4  8  o 0 5.58798  0.326993  -1.02661      2.09748      0.370882      0.220607      274.488  -170.211      230.556  158.74       140.303  67.7342       
1 1 1 21 4  9  o 0 8.82937  0.15279   1.48718       -0.130778    0.683593      0.137469      366.758  -19.6313      430.58   -10.9798     89.2354  26.9068       
1 1 1 21 4  10 o 0 4.72714  0.275824  0.331654      0.14063      -0.00410472   0.00888672    148.518  64.359        253.729  60.4282      112.562  55.4697       
1 1 1 21 4  11 o 0 4.32035  0.319878  0.0894839     -0.134203    -0.00187702   6.04747e-005  138.335  10.9238       218.936  7.89675      87.6877  3.34745       
1 1 1 21 4  12 o 0 0.615142 0.740127  -0.160937     -0.0271563   9.09958e-005  -0.00230237   14.9912  -3.06979      20.9038  -179.642     38.5585  178.788       
1 1 1 21 4  13 o 0 0.539537 0.709872  -0.159791     0.240839     -0.00527371   -0.000600807  23.4044  -170.148      19.564   33.6897      45.2535  19.9142       
1 1 1 21 5  0  o 0 16.6613  0.113264  -0.523626     6.41236e-017 0             0             892.93   1.74054e-014  719.709  0            155.745  -180          
1 1 1 21 5  1  o 0 14.2513  0.170818  5.49877       0.748841     -3.65417      0.616287      620.523  56.8757       602.393  64.1891      77.5785  155.595       
1 1 1 21 5  2  o 0 5.64604  0.118943  0.149818      -0.813047    1.10221       -0.297951     282.392  -22.7205      159.021  -19.4616     119.099  152.926       
1 1 1 21 5  3  o 0 6.22498  0.105724  -0.0181681    -0.22668     -0.753538     0.357989      179.754  -111.772      263.568  -102.727     93.0612  -85.3315      
1 1 1 21 5  4  o 0 3.73939  0.193077  0.0576342     -0.0163138   0.00818376    -0.073042     259.133  45.9139       62.5963  -127.162     318.173  -132.727      
1 1 1 21 5  5  o 0 8.30707  0.259407  0.781584      -1.46479     0.0822928     0.233064      219.051  57.646        415.25   8.2554       319.647  -22.8314      
1 1 1 21 5  6  o 0 12.3637  0.110334  1.06532       0.430912     -0.398901     0.633368      616.583  50.6975       436.605  50.0722      179.123  -127.778      
1 1 1 21 5  7  o 0 3.16508  0.870675  2.05399       -1.63274     -0.0780277    0.216852      89.7474  134.019       242.392  -36.9327     329.533  -39.3382      
1 1 1 21 5  8  o 0 3.66998  0.253212  -0.268635     -0.352345    -0.028794     -0.049878     152.221  -80.5744      116.183  -94.2696     46.2653  135.906       
1 1 1 21 5  9  o 0 3.44241  0.361875  0.868345      1.02971      -0.110746     -0.165055     164.84   143.832       140.94   78.2737      165.791  14.5402       
1 1 1 21 5  10 o 0 2.0591   0.512455  0.178207      -0.11503     0.0100373     0.00108989    13.4617  -169.061      15.986   -49.2668     25.0098  -22.7509      
1 1 1 21 5  11 < 0 0        1.39596   -0.103331     -0.00781709  0.00196513    0.00199539    ?        ?             130.265  -38.7507     ?        ?             
1 1 1 21 5  12 o 0 0.443816 0.657924  0.0059899     -0.106211    -0.00116925   -0.000198337  83.8622  134.279       86.3947  -46.8697     183.874  -46.2606      
1 1 1 21 5  13 o 0 1.29466  0.766051  0.0905247     -0.518997    0.00475921    -0.0118162    46.2321  -77.041       29.8725  -79.3685     23.4476  105.925       
1 1 1 21 6  0  o 0 27.7363  0.136333  -0.487245     5.96683e-017 0             0             1123.53  180           1171.81  180          94.4429  -180          
1 1 1 21 6  1  o 0 7.03876  0.374009  -4.47372      -0.753904    -0.86374      -0.189296     459.072  -145.747      121.951  -171.071     335.823  43.1889       
1 1 1 21 6  2  o 0 4.56875  0.198466  0.469046      -0.300317    -0.0130747    0.0515898     161.889  -47.3798      91.5367  -35.131      69.6741  116.436       
1 1 1 21 6  3  o 0 18.679   0.084711  0.115207      -0.208923    -0.0721674    -0.086869     734.005  -21.9195      847.43   -23.6577     137.825  -32.6685      
1 1 1 21 6  4  o 0 10.9671  0.62073   -6.17622      14.1586      2.15488       1.85399       397.25   107.863       518.17   116.851      148.7    140.846       
1 1 1 21 6  5  f 1 11.995   0.219176  3.08452       0.144487     -1.17388      0.906326      481.251  27.439        534.952  38.8082      121.187  87.9199       
1 1 1 21 6  6  o 0 7.43584  0.357781  0.192614      0.286977     0.00117268    -0.00729586   100.248  -40.8086      448.632  -33.0341     353.18   -30.9141      
1 1 1 21 6  7  o 0 2.18494  0.366272  -0.214513     -0.540042    0.0303782     -0.0576609    131.489  -91.8609      11.6943  172.605      129.359  93.3016       
1 1 1 21 6  8  o 0 6.44798  0.172052  -0.768464     -0.504328    -0.278689     0.143486      247.379  -125.213      308.981  -125.023     66.8189  -124.334      
1 1 1 21 6  9  o 0 1.13722  0.595013  0.000707646   -0.101495    -0.00267419   0.00753594    84.524   80.3597       67.8927  -98.8304     151.205  -99.2767      
1 1 1 21 6  10 o 0 2.18313  0.908035  0.289306      0.339412     -0.0105025    -0.0115793    60.2412  -101.47       21.1671  -8.35393     62.2725  58.6891       
1 1 1 21 6  11 < 0 0        1.47469   -0.00164061   -0.105194    -0.000857067  0.00179808    ?        ?             54.1248  62.2673      ?        ?             
1 1 1 21 6  12 o 0 1.60363  0.627761  -0.197337     0.0441663    0.00147221    -0.00121775   47.6715  -151.529      42.382   -165.871     17.9462  64.2738       
1 1 1 21 6  13 < 0 0        1.29354   -0.165435     0.203158     -0.00197796   -0.00594286   ?        ?             44.5561  73.9162      ?        ?             
1 1 1 21 7  0  o 0 15.2742  0.116947  -0.0806528    9.8768e-018  0             0             336.899  3.50499e-015  629.731  0            314.254  -3.51863e-015 
1 1 1 21 7  1  o 0 14.0295  0.222971  -3.30827      2.77986      -1.38865      2.06792       579.351  83.5758       592.17   85.6925      50.6253  109.173       
1 1 1 21 7  2  o 0 15.6202  0.23381   0.533397      3.39693      1.36761       0.223358      539.698  28.4611       758.225  32.8125      251.168  41.7021       
1 1 1 21 7  3  o 0 15.2888  0.178817  -3.64783      0.924533     -0.961341     1.30722       635.288  -137.576      650.128  -143.378     77.5622  164.508       
1 1 1 21 7  4  o 0 6.51334  0.121773  0.0613672     -0.0916188   -0.000534498  0.00586177    293.29   -156.033      165.556  -150.195     117.961  15.7582       
1 1 1 21 7  5  o 0 12.321   0.542194  1.91006       -5.45055     0.534818      0.889103      645.776  -90.3235      392.368  -87.4139     233.567  84.785        
1 1 1 21 7  6  o 0 7.20871  0.13511   -0.163818     0.751627     -0.257622     0.551101      157.54   154.801       396.651  145.855      249.674  140.498       
1 1 1 21 7  7  o 0 1.66532  0.453188  0.0896527     -0.287959    0.0538606     -0.0239608    25.9438  -55.2687      10.4017  -87.5711     17.0574  143.75        
1 1 1 21 7  8  o 0 5.18291  0.198366  -0.311542     -0.0107998   -0.00634943   0.00675424    220.362  35.0082       198.774  39.8197      22.8156  168.058       
1 1 1 21 7  9  o 0 2.69898  0.412649  0.448142      0.427257     -0.0443889    -0.0136079    147.058  2.98732       69.2519  23.471       77.3983  164.741       
1 1 1 21 7  10 o 0 4.47106  0.370134  0.188119      0.496449     -0.0134864    -0.0102825    140.654  50.8745       234.831  54.1903      102.044  58.5235       
1 1 1 21 7  11 f 1 4.3095   0.332502  0.233245      -0.198413    0.00190315    -0.00467742   196.596  -66.1716      225.947  -63.6563     10.8485  47.7567       
1 1 1 21 7  12 o 0 1.9569   0.616279  -0.29167      -0.465105    -0.0114408    0.00183441    33.4218  155.746       78.9347  -161.938     56.5675  -134.299      
1 1 1 21 8  0  o 0 9.90454  0.134463  -0.1728       2.11612e-017 0             0             528.134  -180          398.048  -180         83.8687  6.45664e-015  
1 1 1 21 8  1  o 0 4.65886  0.158405  -1.30416      -1.52935     -0.0847584    -1.02909      116.308  125.96        179.577  -145.08      207.418  -113.994      
1 1 1 21 8  2  o 0 9.48788  0.102788  0.418614      0.340863     -0.601263     -0.0347526    361.922  -146.82       353.903  -129.141     107.48   -57.5012      
1 1 1 21 8  3  o 0 2.96049  0.214715  1.2378        -1.45049     0.240794      0.684911      140.67   30.945        117.214  -71.6794     194.39   -113.011      
1 1 1 21 8  4  o 0 3.47658  0.288229  1.04996       -1.03866     -0.0996881    0.343908      43.1578  -56.431       125.558  -47.6587     85.5635  -43.499       
1 1 1 21 8  5  o 0 4.52764  0.210492  0.608179      0.30625      -0.359032     -0.017884     211.288  124.25        163.058  92.7557      102.504  0.455072      
1 1 1 21 8  6  o 0 5.2775   0.183669  -0.221963     -0.620551    0.0246218     -0.106501     127.076  -14.2835      258.579  -35.3133     153.48   -51.4825      
1 1 1 21 8  7  o 0 2.93411  0.277264  0.121455      -0.137094    0.0394802     -0.0304207    199.758  -71.473       14.4536  -30.6205     178.537  105.491       
1 1 1 21 8  8  o 0 1.49153  0.51636   0.211579      -0.172988    -0.0360915    0.00834214    123.902  -106.249      66.7598  60.546       184.248  69.0032       
1 1 1 21 8  9  o 0 0.86991  0.652799  0.0890619     -0.25276     -0.00284564   0.014757      43.7078  -135.376      27.073   24.7277      66.7679  36.6924       
1 1 1 21 8  10 o 0 6.07371  0.225429  1.13154       1.19583      0.00418731    0.114129      156.637  -75.8391      361.545  -59.2666     224.545  -48.5002      
1 1 1 21 8  11 o 0 2.69994  0.617517  -0.194566     -0.0611379   -0.000938967  0.00200719    67.3317  163.443       165.773  166.987      88.2484  170.111       
1 1 1 21 8  12 o 0 3.30848  1.45492   -0.587195     0.109876     -0.00293409   0.00715932    24.3277  -34.3264      89.7909  -63.4243     66.5468  -75.3344      
1 1 1 21 9  0  o 0 1.87083  0.443124  -0.0106677    1.30637e-018 0             0             106.568  6.66973e-014  10.6556  0            83.852   -180          
1 1 1 21 9  1  o 0 1.98164  0.32397   -0.171727     -0.107995    0.00305118    -0.04408      190.559  -72.9242      123.318  113.345      293.885  109.702       
1 1 1 21 9  2  f 1 26.1064  0.192711  1.11911       -1.2346      0.285965      -0.00379998   969.763  50.986        1194.95  45.452       343.688  31.3956       
1 1 1 21 9  3  o 0 8.0149   0.278925  -0.0920021    -1.49472     0.274304      0.0942777     414.153  -158.372      231.641  -131.928     200.179  -9.38946      
1 1 1 21 9  4  o 0 4.02613  0.266814  0.582003      0.223988     -0.0321249    -0.0529945    77.0439  97.3742       143.637  65.9208      91.8661  42.7008       
1 1 1 21 9  5  o 0 4.38239  0.437788  -2.63334      2.51703      0.172681      0.820813      38.8516  150.541       260.633  144.96       225.459  144.086       
1 1 1 21 9  6  o 0 4.40988  0.334199  -2.68476      0.0708698    -0.536544     -0.220164     207.818  -172.178      148.744  173.283      60.2752  46.1011       
1 1 1 21 9  7  o 0 4.75051  0.204707  0.181007      -0.425353    0.0563365     -0.0401678    105.187  145.714       173.625  159.673      82.0405  176.411       
1 1 1 21 9  8  o 0 3.81868  0.245143  -0.774101     -0.823641    0.226143      0.146249      59.1909  -179.114      221.707  -157.12      173.123  -150.454      
1 1 1 21 9  9  o 0 2.31831  0.455508  -0.231785     0.305599     -0.0268733    -0.00860841   34.9653  127.622       59.174   126.356      27.133   124.86        
1 1 1 21 9  10 o 0 2.58295  0.678071  -0.0680542    0.147758     -0.000579862  0.00150836    82.5762  123.041       92.4246  121.404      4.06523  -16.4417      
1 1 1 21 9  11 f 1 2.8705   0.452683  -0.0142468    0.239091     -0.00115361   -0.00146091   102.397  -38.4483      164.387  -34.0853     50.3095  -24.0547      
1 1 1 21 9  12 < 0 0        1.524     -0.132914     -0.297158    -0.00304917   0.00414028    ?        ?             102.829  -117.911     ?        ?             
1 1 1 21 10 0  o 0 16.769   0.127243  -0.669361     8.19703e-017 0             0             672.962  180           634.821  180          56.5879  -180          
1 1 1 21 10 1  o 0 9.98843  0.149055  -0.935315     0.165866     -0.0830349    0.24993       566.109  113.739       231.251  121.777      266.419  -73.232       
1 1 1 21 10 2  f 1 7.11427  0.130973  -0.289227     0.153311     -0.129609     -0.175097     318.671  -42.8349      269.919  -46.7596     18.4879  -135.006      
1 1 1 21 10 3  o 0 6.28288  0.320542  2.44466       -3.00272     0.633991      1.0698        113.56   -144.665      366.979  -101.844     302.064  -88.9967      
1 1 1 21 10 4  o 0 2.05612  0.338512  0.722251      -0.341522    -0.0939265    0.0699812     228.495  2.65814       74.2552  -165.396     274.137  -174.128      
1 1 1 21 10 5  o 0 7.8739   0.183269  1.59152       -1.10381     0.291067      0.490524      283.013  38.9307       380.384  21.458       159.201  -6.90959      
1 1 1 21 10 6  f 1 5.12269  0.178543  0.813526      -0.471423    0.0758774     0.169592      195.87   39.7942       215.953  20.2398      78.152   -27.8536      
1 1 1 21 10 7  o 0 3.41587  0.67332   0.0464275     -0.0434731   7.60684e-005  0.000166111   186.041  85.4624       55.3665  80.9735      114.59   -92.3704      
1 1 1 21 10 8  o 0 0.826749 0.606367  0.410807      -0.048869    -0.0267108    -0.0551617    25.8375  125.384       29.1908  -33.6783     51.299   -42.8833      
1 1 1 21 10 9  f 1 6.1595   0.260985  -0.614339     -0.778357    -0.0360485    0.015296      138.723  117.436       367.496  128.455      247.967  133.891       
1 1 1 21 10 10 o 0 2.70573  0.517026  0.539271      0.923013     0.0410936     0.0441203     45.5924  -65.7966      135.435  -12.7792     112.476  8.33097       
1 1 1 21 10 11 < 0 0        1.44873   0.201098      -0.0450175   0.0041234     -0.000841843  ?        ?             57.489   -60.7878     ?        ?             
1 1 1 21 11 0  o 0 3.755    0.306781  0.102715      0            0             0             120.571  4.16738e-015  110.098  0            12.5606  -3.23611e-014 
1 1 1 21 11 1  o 0 14.2165  0.457492  -2.5811       -3.42012     0.541637      -0.539354     516.396  -97.098       648.538  -101.29      227.006  -109.152      
1 1 1 21 11 2  o 0 11.3246  0.203823  1.46236       1.92657      1.04858       -0.433        396.897  -3.2452       532.028  2.25884      204.812  11.1823       
1 1 1 21 11 3  o 0 3.32285  0.446916  -1.08211      1.2142       0.0550414     0.170927      34.0472  140.127       149.334  133.811      120.762  132.308       
1 1 1 21 11 4  o 0 6.09143  0.178072  0.731883      -0.481015    -0.152888     0.0599896     213.043  -63.9306      263.003  -60.7787     81.4798  -53.7078      
1 1 1 21 11 5  o 0 3.2343   0.272976  -1.05072      0.489873     0.0125233     0.286305      195.752  46.8646       77.151   118.971      163.458  -159.825      
1 1 1 21 11 6  o 0 1.49963  0.439977  -0.046693     0.292654     -0.147845     -0.135865     203.664  132.342       102.419  -41.1654     280.898  -45.2952      
1 1 1 21 11 7  o 0 3.678    0.256607  0.537099      0.195492     -0.0323716    0.0460491     107.226  167.476       138.37   156.106      51.6261  135.58        
1 1 1 21 11 8  o 0 1.3268   0.626624  -0.580878     0.366803     0.0151721     0.0562953     149.16   -76.0484      86.1431  120.591      213.396  110.589       
1 1 1 21 11 9  o 0 2.27138  0.377051  -0.0995505    0.121932     -0.00119311   -0.0046964    55.0856  18.2031       38.7079  42.7843      29.9347  165.663       
1 1 1 21 11 10 o 0 3.15194  0.5938    -0.771716     0.416669     0.0242973     0.0130065     40.3233  151.521       221.769  152.311      177.916  152.506       
1 1 1 21 11 11 o 0 2.44721  0.505808  -0.251215     0.352531     0.00251453    -0.00510857   100.677  72.5564       117.456  82.9239      21.6708  149.82        
1 1 1 21 12 0  o 0 2.54951  0.472625  -0.199205     2.43948e-017 0             0             220.575  180           81.1006  180          90.5595  -6.62949e-015 
1 1 1 21 12 1  f 1 12.6816  0.103501  -0.0046807    -0.226628    -0.0142267    0.0229514     598.831  125.887       454.483  126.256      13.6205  -66.4996      
1 1 1 21 12 2  o 0 2.49619  0.313923  -0.00937871   0.344691     -0.125021     -0.278585     230.363  128.907       34.5386  -29.0547     218.157  -47.6872      
1 1 1 21 12 3  o 0 6.58737  0.143693  0.935219      0.162397     0.825014      0.222077      263.35   -127.971      250.297  -139.128     56.998   173.842       
1 1 1 21 12 4  o 0 5.52498  0.154318  -0.22617      -0.348334    0.0286187     0.19573       132.718  -94.744       250.305  -105.184     143.385  -113.186      
1 1 1 21 12 5  o 0 4.37872  0.207161  -0.0721035    0.0824615    -0.00549738   -0.00863108   158.335  -40.068       138.637  -39.6948     5.50305  -30.6242      
1 1 1 21 12 6  o 0 6.80183  0.174702  0.411779      -0.27108     0.0228881     -0.0117515    318.369  -151.737      262.184  -148.93      12.856   -64.4696      
1 1 1 21 12 7  f 1 3.55199  0.636257  0.271249      0.775922     0.00562153    -0.0244991    25.5351  37.3588       143.75   58.6926      124.497  62.1973       
1 1 1 21 12 8  o 0 3.12197  0.310993  0.989836      0.142791     0.102948      -0.071195     163.555  11.6886       90.0437  5.48391      49.391   -156.947      
1 1 1 21 12 9  o 0 2.08859  0.429306  -0.0104666    -0.519839    -0.0303655    0.0190582     105.688  157.44        66.9664  -177.406     57.3541  -52.3157      
1 1 1 21 12 10 o 0 0.181427 0.550332  0.212137      0.31616      -0.00107194   0.0126957     47.5579  89.0451       46.2813  -88.5624     96.5907  -89.8088      
1 1 1 21 13 0  f 1 1.22474  0.667177  0.0878393     0            0             0             21.4533  180           1.45964  0            17.2156  -4.06762e-014 
1 1 1 21 13 1  o 0 2.37696  0.419483  0.0302037     0.308232     0.00888122    -0.00751229   208.199  -38.1217      47.3195  122.064      203.767  137.363       
1 1 1 21 13 2  o 0 5.74197  0.154634  0.951933      -0.0712959   0.966399      -0.511675     308.946  -8.54572      158.108  -11.9843     82.4529  178.059       
1 1 1 21 13 3  o 0 4.30019  0.198301  0.0348484     0.0815745    -0.00399983   -0.00373873   128.949  135.412       134.158  131.682      33.3239  120.229       
1 1 1 21 13 4  f 1 5.98767  0.165379  0.280883      -0.184858    -0.0536761    -0.0363986    335.186  -16.7551      155.403  -20.345      109.687  168.334       
1 1 1 21 13 5  o 0 3.62422  0.54781   -1.03887      0.386008     -0.00666576   0.0739719     149.451  -165.617      129.6    -177.25      28.0079  125.469       
1 1 1 21 13 6  o 0 6.55256  0.179317  -1.45026      0.0566525    0.131113      -0.186747     208.191  -169.696      316.937  -174.902     153.215  179.485       
1 1 1 21 13 7  o 0 1.48471  0.480783  0.421954      0.415328     0.0960101     0.0769187     58.9058  -42.983       35.8071  66.2742      68.1712  107.29        
1 1 1 21 13 8  f 1 2.82037  0.394532  -0.485677     -0.420328    0.0325238     -0.00162509   70.9203  -139.101      127.497  -140.348     56.4205  -141.921      
1 1 1 21 13 9  < 0 0        1.31215   0.0603542     0.0148302    0.00108721    1.06413e-005  ?        ?             125.523  -31.0315     ?        ?             
1 1 1 21 13 10 o 0 1.98946  0.534883  -0.455441     -0.0667765   0.00937288    -0.00339905   93.6605  -149.937      68.8388  -158.049     29.4436  49.326        
1 1 1 21 14 0  o 0 8.31264  0.18817   -0.866044     1.06056e-016 0             0             435.506  180           275.789  180          34.2365  -8.87843e-014 
1 1 1 21 14 1  o 0 1.52355  0.474827  0.0869894     -0.167567    -0.0111277    0.0238799     106.875  109.298       53.4873  -68.9262     131.351  -69.9791      
1 1 1 21 14 2  o 0 1.44254  0.456991  0.0281541     0.226249     -0.0210434    -0.0772131    136.878  148.956       60.2865  -21.305      161.514  -27.4236      
1 1 1 21 14 3  o 0 2.14223  0.628414  -0.827227     0.796347     -0.0414649    0.101123      185.919  -70.1942      103.746  131.43       240.24   118.963       
1 1 1 21 14 4  o 0 3.66087  0.249137  0.389216      0.163786     0.0604744     0.0423144     167.152  143.147       105.82   135.238      23.8942  0.695508      
1 1 1 21 14 5  o 0 2.13982  0.965429  0.154707      -0.936511    0.0425146     0.0387484     112.083  -85.2234      37.2694  -82.1286     47.1045  92.3284       
1 1 1 21 14 6  o 0 4.71631  0.22775   0.605697      -0.144802    0.0243548     -0.0468517    174.625  -120.161      184.902  -109.923     58.743   -86.1422      
1 1 1 21 14 7  o 0 2.5134   0.361595  -0.335574     0.25512      0.0267334     -0.0127713    81.7311  166.257       83.5244  156.744      14.2153  90.0546       
1 1 1 21 14 8  o 0 2.25643  0.408796  0.486147      -0.231954    0.028482      -0.0248155    89.9974  -84.3669      91.6671  -66.751      27.7594  3.59139       
1 1 1 21 14 9  o 0 1.61941  0.784608  -0.255058     -0.743002    0.0273086     0.0355654     70.5204  175.273       53.2769  -131.182     56.5964  -53.9399      
1 1 1 21 14 10 o 0 2.05717  0.442213  0.602137      0.248049     0.0100087     0.0194766     62.2632  75.6816       89.763   52.4865      41.1712  16.5088       
1 1 1 21 15 0  o 0 0        1.70294   0.0888968     0            0             0             74.2419  -2.76863e-014 0        0            50.2463  180           
1 1 1 21 15 1  o 0 2.89594  0.301497  -0.386276     0.0787166    0.0529615     0.0385359     89.1549  -85.9079      37.4052  -149.918     56.5665  130.561       
1 1 1 21 15 2  o 0 6.10079  0.177839  -0.67137      -0.935301    -0.204333     -0.00918799   364.74   -124.872      143.093  -121.868     106.336  51.0828       
1 1 1 21 15 3  f 1 5.949    0.344129  -0.457391     0.680114     -0.0376426    0.0331587     260.421  139.593       205.474  137.106      28.2655  121.201       
1 1 1 21 15 4  o 0 1.92309  0.406561  -0.204886     -0.0215717   0.0216834     0.0136736     106.765  -21.9476      5.12229  -142.588     78.3377  161.277       
1 1 1 21 15 5  o 0 2.59785  0.324123  -0.17483      -0.604427    -0.0277759    -0.0724915    58.1792  -41.7696      73.3832  -75.547      45.0592  -106.653      
1 1 1 21 15 6  o 0 2.46306  1.12879   -0.896126     -0.6088      0.0281419     -0.0628899    34.1523  -84.6898      103.961  -135.463     87.649   -151.443      
1 1 1 21 15 7  o 0 4.04257  0.891771  2.131         -1.68139     0.0917057     0.127058      125.066  -85.5294      231.315  -67.8303     128.052  -52.2183      
1 1 1 21 15 8  o 0 3.3676   0.311222  -0.845571     -0.423148    0.0479862     0.00384738    143.254  -87.2884      153.968  -100.23      39.066   -149.254      
1 1 1 21 15 9  < 0 0        1.28216   0.0408099     -0.0923636   -0.0012246    -0.000229336  ?        ?             74.2918  -64.2551     ?        ?             
1 1 1 21 16 0  o 0 8.28855  0.200208  -0.112666     1.37972e-017 0             0             438.36   3.55371e-014  247.573  0            22.754   -180          
1 1 1 21 16 1  f 1 1.50762  0.469441  -0.239164     -0.199204    0.0519987     -0.000912174  104.423  43.2181       29.507   -136.575     94.6509  -136.717      
1 1 1 21 16 2  o 0 2.12387  0.365862  -0.205337     0.23174      -0.0432328    -0.036768     185.211  117.121       9.50642  -75.1427     129.405  -63.7729      
1 1 1 21 16 3  f 1 1.54937  0.724865  -0.114502     0.400416     0.00739296    0.0191876     65.3234  50.7311       14.7202  138.438      44.4908  -148.574      
1 1 1 21 16 4  o 0 1.90842  0.420011  0.228274      0.415268     0.0457264     0.0420908     198.46   99.2034       34.2846  -62.6568     166.722  -77.1258      
1 1 1 21 16 5  o 0 1.75593  0.812172  -0.386102     -0.0445353   -0.0122751    0.0175952     53.4312  153.361       23.8062  -170.916     29.832   -54.4106      
1 1 1 21 16 6  o 0 2.06458  0.439644  0.436302      -0.327913    0.041886      -0.0158151    77.1143  174.749       23.9348  -75.2576     78.5065  -21.9001      
1 1 1 21 16 7  o 0 3.79328  0.281779  -0.524847     0.897018     0.0106594     -0.0654671    76.191   -98.1666      203.528  -111.69      140.381  -117.985      
1 1 1 21 16 8  o 0 2.68029  0.379162  0.57576       -0.201704    0.0199268     -0.00821462   95.74    -36.4936      119.006  -31.8398     36.051   -20.9584      
1 1 1 21 17 0  o 0 0.83666  0.763934  0.161983      0            0             0             108.91   -1.36857e-013 10.8708  0            52.4852  180           
1 1 1 21 17 1  o 0 4.69257  0.21658   -0.597673     -0.0896166   0.0721178     0.015345      269.667  -96.5908      96.6404  -107.062     68.6463  98.2334       
1 1 1 21 17 2  o 0 6.30252  0.280111  0.386556      -1.06325     -0.0587313    0.0755718     415.15   -114.681      111.223  -107.447     145.001  59.7763       
1 1 1 21 17 3  f 1 6.65413  0.164807  0.573101      0.243662     0.0124485     0.0241726     155.399  177.331       278.09   174.799      182.31   173.467       
1 1 1 21 17 4  o 0 3.65108  0.283139  -0.695463     -0.053849    0.0220727     0.050224      120.643  111.794       142.635  129.957      59.3496  160.309       
1 1 1 21 17 5  o 0 1.52717  0.741797  -0.293037     -0.137286    -0.00841911   -0.00169154   78.3254  -67.4714      20.6283  -112.56      49.8606  129.566       
1 1 1 21 17 6  o 0 2.62667  1.1525    -0.311477     0.683439     0.0267232     -0.00260366   145.685  76.5613       74.4787  87.6891      46.8008  -121.325      
1 1 1 21 17 7  o 0 2.12225  0.414933  0.240089      0.283019     -0.00500384   0.0124718     85.6049  69.933        68.6098  64.6076      6.62511  -36.0856      
1 1 1 21 17 8  o 0 2.06983  0.616933  0.0257425     0.316223     -0.0015812    -0.00516612   75.5785  91.9791       67.9372  90.6083      5.37877  74.3916       
1 1 1 21 18 0  o 0 3.89872  0.372965  -0.302368     3.70282e-017 0             0             184.967  5.33787e-014  126.591  0            0.376673 -1.78859e-011 
1 1 1 21 18 1  o 0 6.16462  0.192429  -0.507884     -0.17532     0.0184988     0.00786526    229.332  -115.72       238.873  -119.401     78.6867  -126.96       
1 1 1 21 18 2  o 0 5.62139  0.184315  -0.279033     0.94262      -0.0723574    -0.0333766    320.442  43.7684       148.611  54.4863      89.4857  -154.221      
1 1 1 21 18 3  o 0 2.041    0.413091  0.231525      0.00263917   0.0108921     0.00217293    80.4451  85.5662       21.7602  44.1021      45.3877  -75.9247      
1 1 1 21 18 4  f 1 5.017    0.226729  1.0064        0.287673     0.0363244     0.0562741     318.078  45.4273       127.218  41.3915      104.299  -129.648      
1 1 1 21 18 5  o 0 3.45482  0.295383  -0.284484     -0.231545    -0.0022198    0.0109129     124.254  147.29        141.602  152.723      49.6089  162.971       
1 1 1 21 18 6  o 0 2.42891  0.416623  0.150936      -0.367752    -0.0120608    0.00077547    42.3872  149.333       60.2244  167.247      31.1114  -174.124      
1 1 1 21 18 7  o 0 3.03159  0.534062  -0.0623972    0.512903     0.00171075    -0.00986853   33.35    96.9741       134.055  97.2595      108.259  97.3276       
1 1 1 21 19 0  o 0 2.46982  0.55094   0.238669      0            0             0             84.5743  1.9969e-013   71.6634  0            18.7423  -5.63849e-013 
1 1 1 21 19 1  o 0 5.02586  0.22912   -0.384668     -0.0886681   0.00803274    0.00734142    201.934  15.9549       178.863  16.1249      48.5601  16.5811       
1 1 1 21 19 2  o 0 2.28126  0.401593  0.0232907     -0.484621    -0.044743     -0.0140877    110.335  149.058       51.834   163.775      26.4976  -60.7407      
1 1 1 21 19 3  f 1 1.83974  0.851675  0.31226       0.129808     -0.011504     0.00524454    52.3065  -5.38122      42.9309  4.88415      10.574   40.9655       
1 1 1 21 19 4  o 0 4.52109  0.238101  0.125624      0.0079579    0.000981417   -0.000250341  221.362  166.48        145.19   166.173      8.1257   -8.01055      
1 1 1 21 19 5  o 0 2.41398  0.392824  -0.00417063   0.0550372    -1.04134e-005 0.000233623   127.705  -110.958      57.219   -111.773     32.834   70.4602       
1 1 1 21 19 6  f 1 1.43858  0.68729   -0.246398     0.119638     0.0044706     0.000787416   31.118   -106.912      14.5858  -171.689     20.5391  113.062       
1 1 1 21 20 0  o 0 0        1.78885   -0.0648009    7.93556e-018 0             0             3.85523  -1.48902e-012 0        0            2.25168  180           
1 1 1 21 20 1  o 0 2.65802  0.379457  -0.137797     -0.0741194   0.00239575    0.000377517   112.105  153.51        71.1097  156.898      5.40833  -155.497      
1 1 1 21 20 2  o 0 0.446667 0.587114  -0.195574     0.0784628    0.00639463    -0.00563931   45.6131  -20.4215      27.1984  159.427      55.463   159.504       
1 1 1 21 20 3  o 0 1.98082  0.463527  0.0152256     -0.120097    -0.00108073   0.00105096    108.182  -3.58403      32.732   -10.4391     36.3719  -177.418      
1 1 1 21 20 4  o 0 0.662919 0.641455  0.211         0.274838     -0.0124582    0.0128519     94.4588  58.1739       38.8834  -121.006     100.094  -121.508      
1 1 1 21 20 5  o 0 2.74263  0.588187  0.276848      -0.243826    -0.00562759   2.56065e-005  86.2981  49.4231       92.8566  39.4581      38.0612  24.451        
1 1 1 21 21 0  o 0 4.11096  0.590103  0.361893      0            0             0             163.984  180           106.712  180          17.5923  -180          
1 1 1 21 21 1  o 0 4.59347  0.334018  -0.0180449    -0.0104182   0             0             166.425  30            127.539  30           34.1198  30            
1 1 1 21 21 2  o 0 3.78153  0.371544  -0.252206     -0.436833    0             0             214.447  60            107.988  60           15.8206  -120          
1 1 1 21 21 3  o 0 3.44964  0.400139  3.88761e-017  0.126983     0             0             203.674  90            100.94   90           19.5516  -90           
1 1 1 22 0  0  o 0 9.72625  0.151833  -0.0794554    9.73016e-018 0             0             149.908  -3.00238e-014 199.718  0            47.5993  9.59508e-014  
1 1 1 22 0  1  o 0 16.9027  0.111668  -0.51518      -0.892317    0             0             915.66   -120          750.424  -120         172.263  60            
1 1 1 22 0  2  o 0 10.7424  0.106001  -0.0796162    0.137899     0             0             445.467  -60           472.32   -60          27.1357  -60           
1 1 1 22 0  3  f 1 9.41807  0.115375  -0.294105     3.60162e-017 0             0             314.264  -6.66816e-015 414.408  0            93.9933  2.27311e-014  
1 1 1 22 0  4  o 0 20.241   0.127644  -0.222634     -0.385613    0             0             823.256  -120          916.828  -120         70.4608  -120          
1 1 1 22 0  5  f 1 3.19374  0.400533  -0.0108892    0.0188607    0             0             148.755  120           53.5579  120          96.1199  -60           
1 1 1 22 0  6  o 0 1.54919  0.438218  -0.0339383    4.15611e-018 0             0             25.7139  180           4.5285   180          21.5927  -7.17855e-014 
1 1 1 22 0  7  o 0 3.17805  0.402068  0.0914987     0.15848      0             0             82.4134  60            52.4692  60           30.7131  -120          
1 1 1 22 0  8  f 1 6.90652  0.210662  0.0939664     -0.162755    0             0             229.648  -60           313.557  -60          92.7838  -60           
1 1 1 22 0  9  o 0 6.36396  0.256574  -0.286048     3.50297e-017 0             0             274.613  -1.57898e-015 285.698  0            20.495   2.04319e-014  
1 1 1 22 0  10 o 0 3.83406  0.441666  -0.0200576    -0.0347408   0             0             102.651  -120          117.929  -120         20.2251  -120          
1 1 1 22 0  11 o 0 0        2.04939   -0.0141735    0.0245492    0             0             82.3163  120           0        0            73.9569  -60           
1 1 1 22 0  12 o 0 2.36643  0.730255  0.0101715     0            0             0             104.874  -180          72.3158  -180         19.6193  1.07968e-014  
1 1 1 22 0  13 o 0 2.25832  0.748226  -0.00154955   -0.0026839   0             0             26.2005  -120          46.2324  -120         19.012   -120          
1 1 1 22 0  14 o 0 0        2.09762   0.0234182     -0.0405615   0             0             86.4531  120           0        0            86.5176  -60           
1 1 1 22 1  0  o 0 20.005   0.114316  0.0944367     0            0             0             880.337  -180          912.555  -180         1.09406  180           
1 1 1 22 1  1  o 0 14.0386  0.129386  3.4174        -0.834592    -1.44613      2.36857       780.475  48.5743       449      43.1951      359.735  -124.706      
1 1 1 22 1  2  o 0 9.42359  0.0816823 -0.399532     0.596191     -2.17776      0.509211      335.03   114.752       497.56   85.3934      260.137  45.0776       
1 1 1 22 1  3  o 0 5.04736  0.241106  2.22667       -6.15007     3.49706       2.11429       209.399  18.2423       247.301  -30.7351     193.457  -87.0841      
1 1 1 22 1  4  o 0 4.29338  0.222184  0.7393        0.530578     -0.0212062    -0.137906     253.809  -6.38085      62.15    58.6533      238.194  159.937       
1 1 1 22 1  5  o 0 13.9829  0.0987622 0.706348      -0.717254    -1.62821      -0.467639     731.038  -100.182      492.834  -82.7574     307.444  51.1306       
1 1 1 22 1  6  o 0 9.59107  0.167031  -1.66973      0.133617     -0.604178     -0.169517     435.803  64.1637       407.998  104.062      290.889  -179.951      
1 1 1 22 1  7  o 0 11.3299  0.112512  -0.0461245    -0.587441    -0.303196     0.117127      396.507  -41.6684      539.214  -54.7212     175.301  -85.6712      
1 1 1 22 1  8  o 0 12.7862  0.112188  -0.0906167    0.887963     -0.128496     0.261494      554.167  54.0353       604.643  56.3864      67.1837  75.7016       
1 1 1 22 1  9  o 0 4.88903  0.219309  0.902111      -0.622271    -0.295923     0.0394399     195.966  -35.3944      203.615  -43.9029     32.1031  -105.181      
1 1 1 22 1  10 o 0 1.88689  0.500586  -0.102279     -0.0230952   0.006159      -0.00292449   78.4394  -144.173      19.2837  46.1747      94.4331  37.9287       
1 1 1 22 1  11 o 0 2.34509  0.487655  0.613026      0.380493     0.0249455     0.0808449     43.2127  104.256       79.2867  49.1999      65.2702  19.5463       
1 1 1 22 1  12 o 0 4.2224   0.359236  0.0837803     0.358864     -0.00356423   -0.000216466  145.37   -78.559       235.59   -75.0754     74.348   -67.4579      
1 1 1 22 1  13 o 0 1.39142  0.718234  0.0106263     -0.263237    -0.00304734   0.000546727   73.1942  25.2481       14.7993  -54.169      76.631   -143.809      
1 1 1 22 2  0  o 0 1.81659  0.379779  0.0256611     0            0             0             296.865  -4.87218e-014 34.3199  0            266.44   180           
1 1 1 22 2  1  o 0 21.7573  0.290941  2.30045       -6.35859     1.20844       3.18236       706.356  11.9715       1196.75  6.3751       491.17   -1.77417      
1 1 1 22 2  2  o 0 11.6236  0.599413  -13.7525      -2.518       -2.36021      -0.617801     492.756  -173.824      500.421  -167.035     59.1649  -84.2579      
1 1 1 22 2  3  o 0 6.97505  0.585792  5.62851       12.8769      1.67958       -2.11269      257.823  86.7784       328.194  67.4396      119.884  21.744        
1 1 1 22 2  4  o 0 14.0927  0.111172  0.620444      0.258743     0.0236848     -0.251526     577.907  -136.918      610.165  -135.303     34.6241  -107.141      
1 1 1 22 2  5  o 0 4.04652  0.634795  -6.04453      -3.87907     -0.353719     -0.926141     97.6153  131.406       301.786  -138.342     317.685  -120.389      
1 1 1 22 2  6  o 0 3.60946  0.901151  1e-030        0            0             0             67.3943  -97.8932      7.40674  82.1068      75.0375  82.1068       
1 1 1 22 2  7  o 0 7.48026  0.448442  -3.40346      2.23243      -0.490058     0.578005      388.769  104.871       244.02   133.875      212.753  -108.918      
1 1 1 22 2  8  o 0 5.00904  0.198448  0.298309      -0.159346    -0.122229     -0.168089     260.539  -98.009       164.132  -82.5451     106.041  57.6166       
1 1 1 22 2  9  < 0 0        1.29407   -0.105113     0.0074907    -0.00246517   0.0101814     ?        ?             135.444  -129.946     ?        ?             
1 1 1 22 2  10 o 0 5.59254  0.236887  -0.425192     -0.306004    -0.00760345   0.0243048     144.76   -159.791      293.823  -156.072     154.096  -152.687      
1 1 1 22 2  11 o 0 2.36551  0.498114  -0.435592     0.172473     -0.00343891   -0.0313328    156.04   145.608       31.0084  154.231      113.492  -36.7401      
1 1 1 22 2  12 o 0 1.00977  0.727063  0.030538      0.0497295    -0.000340129  0.00031167    61.1702  -38.5902      45.2231  137.437      114.601  139.843       
1 1 1 22 2  13 o 0 0.460154 0.734785  -0.221595     -0.197706    -0.00055611   0.00364005    41.798   69.0517       45.449   -115.195     90.9119  -113.07       
1 1 1 22 3  0  o 0 1.14018  0.487609  -0.0266913    3.26864e-018 0             0             15.4861  -1.21962e-012 0.635166 -180         16.0006  180           
1 1 1 22 3  1  o 0 4.58061  0.137589  0.384932      -0.351657    0.218498      0.383615      93.8867  -79.5633      76.0425  -48.0405     48.8235  45.9166       
1 1 1 22 3  2  o 0 2.53502  0.478355  1.31535       2.22231      0.144846      -0.316914     273.668  69.3302       94.3632  -100.032     364.492  -107.931      
1 1 1 22 3  3  o 0 10.5113  0.580735  -6.48992      -15.9973     3.13197       -3.76161      321.384  -146.518      550.085  -123.433     285.778  -97.5157      
1 1 1 22 3  4  o 0 5.57928  0.129037  1.08024       0.27395      -1.06111      -0.030749     391.103  88.2804       82.3123  42.032       336.384  -81.5388      
1 1 1 22 3  5  o 0 1.48741  0.659859  -1.46005      -0.0522438   -0.4424       0.0226161     57.5988  -68.5223      92.7094  154.03       140.342  138.012       
1 1 1 22 3  6  f 1 2.45889  0.546902  -0.0723822    0.948141     0.123823      -0.00774148   144.309  157.691       87.4224  31.3677      205.899  -2.305        
1 1 1 22 3  7  o 0 5.28894  0.165154  -0.321391     -0.415338    0.270515      -0.0504682    276.54   -138.025      173.587  -145.523     100.141  55.0477       
1 1 1 22 3  8  f 1 8.68798  0.218501  1.06289       -0.0847793   -0.051974     0.0898167     238.963  32.9977       518.942  28.5836      290.22   25.0875       
1 1 1 22 3  9  o 0 4.56359  0.246688  0.469456      -0.377371    -0.146537     -0.0562565    134.709  -112.537      210.922  -89.4395     103.598  -59.5311      
1 1 1 22 3  10 o 0 3.9824   0.316603  0.0689163     0.0451712    0.000507212   -0.000471229  106.689  -92.8791      195.505  -91.0002     95.5067  -89.0307      
1 1 1 22 3  11 o 0 1.5186   0.616309  0.215757      0.30936      0.00163132    0.0222968     51.9691  113.761       20.8552  25.0778      52.3285  -42.758       
1 1 1 22 3  12 o 0 2.14155  1.00784   -0.0282964    0.270532     -1.33809e-005 0.00273119    70.0707  -144.057      88.9111  -156.76      21.0067  147.393       
1 1 1 22 3  13 o 0 1.58104  0.772867  -0.154291     -0.138034    0.00155155    0.000695899   22.8037  -122.858      33.0427  -130.727     8.67401  -154.294      
1 1 1 22 4  0  o 0 10.4976  0.122402  0.0362485     0            0             0             535.315  -7.23057e-015 449.385  0            70.8726  180           
1 1 1 22 4  1  o 0 7.93026  0.214932  -1.12426      -4.12341     2.76452       -0.82385      299.577  -62.7204      298.338  -42.4993     103.806  33.8746       
1 1 1 22 4  2  o 0 7.52832  0.264568  -4.10476      -1.948       -1.24757      -1.09596      345.2    -87.6028      294.874  -119.964     180.597  153.318       
1 1 1 22 4  3  o 0 11.4514  0.256962  3.92363       4.87839      -0.086729     -2.82847      314.206  103.05        640.588  100.031      334.196  97.2565       
1 1 1 22 4  4  o 0 11.1479  0.173228  0.18083       2.37743      1.12417       0.375688      498.233  7.56862       454.934  29.0582      178.999  118.969       
1 1 1 22 4  5  o 0 9.09988  0.120762  0.123842      0.274874     0.125409      0.0338465     244.078  -178.973      430.198  175.33       192.484  168.209       
1 1 1 22 4  6  o 0 9.61953  0.144652  -1.09197      0.0350974    -0.19998      0.259799      205.169  -175.088      518.064  -169.881     316.344  -166.54       
1 1 1 22 4  7  o 0 7.87731  0.368002  3.96482       -1.6108      -0.399861     0.864898      268.895  12.3847       421.767  6.65048      164.235  -2.48287      
1 1 1 22 4  8  o 0 7.26372  0.165755  -0.328429     0.482348     -0.071848     0.0335188     277.765  95.6208       351.873  97.8653      81.9655  105.3         
1 1 1 22 4  9  o 0 1.64911  0.778171  -0.222565     -0.284572    -0.0118594    -0.023088     108.376  -114.014      34.944   74.1412      140.685  68.005        
1 1 1 22 4  10 o 0 0.696607 0.676426  -0.137419     0.0867126    0.00426113    0.0035307     15.7464  114.566       8.48065  -84.8435     23.0063  -72.4703      
1 1 1 22 4  11 o 0 2.09085  0.677825  -0.185342     -0.193176    -0.00493698   0.00107757    36.7531  -47.903       30.6548  -100.401     29.048   -171.056      
1 1 1 22 4  12 o 0 1.90168  0.895807  -0.113626     -0.350758    -0.00089608   -0.00607399   67.2056  3.07655       65.1837  -22.5644     33.4432  -119.42       
1 1 1 22 4  13 o 0 1.82249  0.604673  0.0919861     0.104261     0.000268258   0.000334424   3.68866  -88.6304      10.7716  28.2528      13.1896  44.6158       
1 1 1 22 5  0  o 0 3.83406  0.244697  0.0101502     0            0             0             164.808  -7.02922e-014 75.4403  0            81.3659  180           
1 1 1 22 5  1  o 0 21.2323  0.0886271 -0.109406     -0.614917    -0.568528     -0.135605     1001.82  -86.7235      806.298  -86.7593     151.614  93.4671       
1 1 1 22 5  2  o 0 16.1625  0.27318   -3.60491      -0.304365    -0.951595     -0.593683     783.147  178.304       582.631  173.171      179.2    15.2159       
1 1 1 22 5  3  o 0 5.74543  0.305224  -0.218185     -5.17064     1.51632       -0.325674     211.004  -32.5113      257.411  -77.4133     182.92   -129.119      
1 1 1 22 5  4  o 0 9.75517  0.276155  1.79095       0.379375     -0.190928     -0.0402304    250.516  -115.109      500.157  -73.4672     357.26   -46.6363      
1 1 1 22 5  5  o 0 10.6928  0.299005  2.50007       -0.358819    -0.672633     -0.20612      486.099  -37.1665      399.266  -36.9869     74.5407  141.871       
1 1 1 22 5  6  o 0 11.3283  0.112284  0.0912911     -0.890399    -0.38354      0.386501      436.192  -74.1494      570.826  -79.3361     159.596  -93.0144      
1 1 1 22 5  7  o 0 6.4889   0.716663  2.71111       7.50714      0.604548      -0.705101     230.234  128.854       370.796  87.3445      251.974  51.6229       
1 1 1 22 5  8  o 0 3.43856  0.309553  0.880115      -0.523876    0.0737075     0.176303      91.9715  -106.198      129.579  -57.1216     98.007   -13.6154      
1 1 1 22 5  9  o 0 5.85664  0.408298  -0.577478     -0.855547    0.058543      0.007069      185.823  147.083       299.61   168.847      147.328  -163.977      
1 1 1 22 5  10 o 0 1.52935  0.602816  0.00952285    -0.0813483   -0.00122241   0.00146781    40.3056  143.458       11.4361  -57.4542     48.8793  -41.3323      
1 1 1 22 5  11 o 0 3.93447  0.350997  0.449868      0.269872     -0.00404994   0.0137067     137.63   79.2075       233.077  70.2064      77.1173  50.9874       
1 1 1 22 5  12 o 0 0.968878 0.643495  0.11859       0.161748     -0.000756201  0.00170734    44.451   -159.771      28.0378  32.4564      78.8238  24.5494       
1 1 1 22 6  0  o 0 2.52982  0.32967   0.0110722     0            0             0             311.621  -7.22971e-014 58.1402  0            231.784  180           
1 1 1 22 6  1  o 0 7.11598  0.156243  -0.261707     2.47441      1.32501       -0.108656     200.538  106.556       281.031  124.797      118.19   154.651       
1 1 1 22 6  2  o 0 6.57363  0.120697  -0.942497     0.517571     -0.0732357    0.4836        210.179  68.2457       241.147  93.6745      105.376  147.553       
1 1 1 22 6  3  o 0 15.546   0.0869479 0.549882      2.10472      -1.48549      -3.91598      618.814  137.545       708.084  119.606      234.581  69.1566       
1 1 1 22 6  4  o 0 4.87171  0.208731  0.107367      -0.120493    0.00321894    0.00435635    122.917  -96.8795      75.8227  -80.4402     49.615   57.4952       
1 1 1 22 6  5  o 0 1.836    0.727647  0.657915      0.392577     -0.0228491    -0.0651425    88.2837  -167.737      88.9789  25.1188      170.809  18.9187       
1 1 1 22 6  6  o 0 0.953416 0.551247  -0.119573     -0.282591    0.0135387     -0.00956754   125.513  -63.8142      91.9252  121.771      210.586  118.621       
1 1 1 22 6  7  o 0 1.63076  0.522621  -0.139626     -0.854516    0.0763799     -0.0635369    112.546  -39.204       54.2774  -170.417     149.066  156.693       
1 1 1 22 6  8  o 0 3.84288  0.262221  -0.268651     0.372639     -0.122511     -0.0250907    39.3587  -85.7375      38.5038  -169.319     50.965   142.919       
1 1 1 22 6  9  o 0 3.94281  0.302301  0.151619      -0.328919    -0.00942938   -0.0252483    218.463  -69.4738      125.573  -68.4351     78.9301  108.873       
1 1 1 22 6  10 o 0 3.43684  0.364505  -0.42982      -0.947208    0.0296932     0.0892689     71.6667  -57.8094      177.337  -87.4443     123.262  -103.158      
1 1 1 22 6  11 o 0 0.447985 0.669302  -0.0556527    -0.16892     -0.00264286   0.00237911    82.7813  -172.096      81.0721  5.12582      176.735  6.62995       
1 1 1 22 6  12 o 0 1.65985  0.804861  0.238385      0.0517294    0.00178526    -0.00221844   48.6083  -37.9203      48.8626  -20.2151     17.7616  85.2928       
1 1 1 22 7  0  o 0 4.1833   0.258436  0.109349      0            0             0             187.974  1.57929e-014  104.344  0            66.3703  -180          
1 1 1 22 7  1  o 0 2.41984  0.261783  -0.403619     -0.658708    0.0722656     -0.448996     118.999  -82.1873      33.2609  139.539      135.796  107.195       
1 1 1 22 7  2  o 0 17.2258  0.0896755 -0.283532     0.00676515   0.0146176     -0.0564446    556.659  163.535       843.383  163.55       328.422  163.573       
1 1 1 22 7  3  o 0 5.39106  0.13046   0.297274      -0.358811    0.678099      -0.413379     284.26   -12.9457      126.432  -26.8404     145.601  179.09        
1 1 1 22 7  4  o 0 10.7399  0.127115  0.00874992    -0.112198    0.000483263   -0.0032653    466.773  -154.234      453.54   -153.704     38.5848  -147.991      
1 1 1 22 7  5  o 0 8.57072  0.138958  -0.228596     0.0666062    -0.0222547    -0.0155169    197.088  122.985       504.223  124.418      321.784  125.231       
1 1 1 22 7  6  o 0 4.14268  0.25634   -0.487844     -0.374003    -0.0984589    -0.034086     131.604  -8.83134      128.219  -40.2768     68.2893  -110.449      
1 1 1 22 7  7  o 0 2.92962  0.331273  -0.678351     -0.244132    0.037193      -0.181393     192.646  83.1116       70.9116  -179.412     203.933  -117.056      
1 1 1 22 7  8  o 0 3.11688  0.344982  0.361148      0.682143     0.101859      0.00776203    22.6736  125.758       100.431  67.586       90.8856  55.895        
1 1 1 22 7  9  o 0 3.9421   0.30974   0.0901736     0.265628     -0.00806003   0.0100585     111.192  89.4189       195.678  86.9444      92.5596  84.182        
1 1 1 22 7  10 o 0 2.80248  0.432082  -0.119512     -0.23318     -0.00611277   -0.00234708   69.8663  -105.333      122.733  -108.105     41.2662  -113.603      
1 1 1 22 7  11 o 0 1.85274  0.876599  -0.1023       0.495587     -0.00327589   0.0165644     52.2348  128.508       81.507   115.607      26.4378  85.0076       
1 1 1 22 7  12 o 0 2.20103  0.527408  -0.188398     1.14387      -0.0349239    0.00956575    55.8229  54.7975       139.032  80.8796      85.7701  100.251       
1 1 1 22 8  0  o 0 5.99166  0.193901  0.0238731     0            0             0             252.533  4.99163e-014  195.992  0            27.3745  -180          
1 1 1 22 8  1  o 0 3.88827  0.199995  0.481176      0.737092     -0.059207     -0.467605     217.188  66.2853       21.3195  126.968      185.014  -119.481      
1 1 1 22 8  2  o 0 18.1193  0.0930244 -0.342131     -0.646311    0.0368655     0.225314      805.185  -54.6278      684.85   -58.441      64.4404  170.345       
1 1 1 22 8  3  o 0 6.75373  0.122926  -0.437874     0.559193     0.538076      0.0114421     77.0111  142.075       390.836  151.064      323.184  152.967       
1 1 1 22 8  4  o 0 5.74505  0.131312  0.0425988     0.473058     -0.0646451    0.518773      337.565  106.17        153.803  85.617       169.005  -55.198       
1 1 1 22 8  5  o 0 0.928181 0.566383  0.0954165     -0.0459651   -0.0115717    0.00314717    167.026  -4.67035      124.975  175.97       277.131  175.619       
1 1 1 22 8  6  o 0 8.50607  0.226558  0.682518      0.87411      -0.0728039    -0.0827602    262.745  43.7472       451.435  46.1778      209.737  48.9846       
1 1 1 22 8  7  o 0 3.88326  0.318329  -0.936381     -0.712577    -0.103408     -0.0790015    151.968  173.286       142.586  -161.08      63.0852  -84.6167      
1 1 1 22 8  8  o 0 4.77713  0.206709  -0.831297     0.283652     -0.0105761    -0.139551     171.659  174.669       233.744  168.847      80.1408  157.459       
1 1 1 22 8  9  o 0 4.08666  0.316517  -0.214649     -0.4342      -0.0181868    -0.0118431    106.215  -100.746      212.171  -103.172     114.667  -105.238      
1 1 1 22 8  10 o 0 2.40186  1.09296   -1.06339      -0.0966969   -0.0453767    0.0316614     50.7899  171.186       125.949  -176.558     69.5003  -166.189      
1 1 1 22 8  11 o 0 2.77001  0.637008  -0.79304      0.00402126   0.0026438     0.0217326     91.8916  158.204       170.035  164.971      66.5513  175.725       
1 1 1 22 8  12 o 0 1.73822  0.567031  0.338174      -0.315087    0.000509074   -0.00501352   24.7686  130.836       14.615   -29.5203     42.6667  -42.5516      
1 1 1 22 9  0  o 0 5.78792  0.208332  0.0959677     0            0             0             326.343  -1.78886e-014 225.811  0            47.5596  180           
1 1 1 22 9  1  o 0 11.1086  0.183133  0.607856      0.218791     0.015542      -0.103969     510.5    -38.038       428.183  -35.5203     19.8399  70.5142       
1 1 1 22 9  2  o 0 13.2825  0.326989  -1.62645      1.61736      0.186707      0.291382      596.996  172.304       537.102  169.895      31.7823  127.05        
1 1 1 22 9  3  f 1 3.41935  0.579998  -2.47025      -2.54221     -0.0554285    -0.514153     238.916  -130.741      45.6141  -131.694     159.526  49.5313       
1 1 1 22 9  4  o 0 3.41795  0.202519  0.0388182     -0.173153    0.0114992     0.0240725     130.714  -60.5838      80.4409  -64.3641     35.4778  128.014       
1 1 1 22 9  5  o 0 4.98221  0.428876  2.89007       -0.628126    -0.28264      0.301171      183.055  -18.8583      212.951  -10.804      55.9274  13.3834       
1 1 1 22 9  6  o 0 3.3016   0.315029  -0.225146     -0.65173     -0.48796      0.167102      93.873   -82.2696      131.611  -102.073     59.1517  -131.189      
1 1 1 22 9  7  o 0 2.59251  0.333295  -0.0785435    0.584702     0.00282232    -0.119647     147.556  -159.279      58.0528  98.7814      157.913  41.8008       
1 1 1 22 9  8  o 0 4.0285   0.583399  0.880999      -0.419315    0.00128262    0.0343861     127.53   27.7469       195.809  12.5256      90.8164  -6.73025      
1 1 1 22 9  9  o 0 1.27987  0.644135  0.17094       0.00700535   -0.000380394  0.00493067    62.395   110.475       28.9251  -51.6787     84.5566  -63.5071      
1 1 1 22 9  10 < 0 0        1.39642   0.106068      0.0517508    0.000564554   0.00308143    ?        ?             48.1953  -62.4706     ?        ?             
1 1 1 22 9  11 o 0 2.51527  1.14482   0.0571928     0.451108     0.00610157    0.00579348    76.4842  -116.925      122.992  -123.775     38.2426  -139.481      
1 1 1 22 10 0  o 0 4.57165  0.238752  0.0984426     0            0             0             110.953  -9.77925e-014 141.204  0            51.2107  1.71853e-013  
1 1 1 22 10 1  f 1 5.03447  0.266448  0.586221      1.50172      0.158442      -0.30442      362.365  133.891       82.438   98.9738      231.768  -34.3617      
1 1 1 22 10 2  o 0 3.97589  0.216642  -0.296128     -0.0130007   -0.025515     -0.0196702    141.621  -176.112      121.645  -177.159     3.7014   146.98        
1 1 1 22 10 3  o 0 2.98921  0.246748  -0.295816     -0.355311    0.178783      -0.113765     54.4958  -54.6389      53.5624  -101.076     39.9326  -158.242      
1 1 1 22 10 4  o 0 2.6082   0.402054  -2.18194      1.74865      -0.406502     0.656         206.61   111.363       16.8774  -162.132     177.725  -74.076       
1 1 1 22 10 5  o 0 5.86781  0.173917  0.0355665     -0.835501    0.0511389     -0.254789     261.374  -117.138      212.416  -106.325     44.4033  -0.968155     
1 1 1 22 10 6  o 0 8.94265  0.18075   0.483844      -0.633104    0.0792329     0.0140433     352.888  4.02583       399.006  -0.865731    91.6108  -17.7755      
1 1 1 22 10 7  o 0 1.18904  0.570327  -0.455682     -0.357452    -0.0708375    -0.0306744    47.9221  62.624        47.6679  -131.429     88.4263  -124.897      
1 1 1 22 10 8  o 0 2.60474  0.441329  0.689776      0.790051     -0.0839534    -0.0621424    111.044  123.666       92.6745  78.1198      73.7011  7.50847       
1 1 1 22 10 9  o 0 2.1106   0.416319  0.0916248     0.169439     7.75118e-005  0.00391346    82.5924  -44.6903      31.9574  -10.8709     67.5604  120.045       
1 1 1 22 10 10 o 0 2.03924  0.943589  -0.587848     0.063031     -0.00626493   0.0179985     53.99    -59.5568      68.9953  -100.436     45.753   -158.833      
1 1 1 22 10 11 o 0 0.344381 0.669724  -0.271624     -0.0993176   0.000735642   0.0050855     17.2868  54.6509       22.4554  -133.285     41.674   -129.616      
1 1 1 22 11 0  o 0 6.48074  0.216393  0.198475      0            0             0             154.591  3.64133e-014  231.419  0            110.424  -3.98995e-014 
1 1 1 22 11 1  o 0 13.5869  0.100583  0.695621      -0.762175    -0.0725863    -0.311005     572.411  -40.9169      539.241  -41.9717     82.8058  -47.802       
1 1 1 22 11 2  o 0 6.46779  0.147796  -1.16684      -0.31081     -0.436313     0.690967      293.059  -172.892      230.149  -153.079     80.9114  -67.4975      
1 1 1 22 11 3  o 0 3.79458  0.243939  0.518276      -0.258176    -0.00517501   0.053775      112.289  155.642       53.3371  160.994      39.8493  -31.529       
1 1 1 22 11 4  o 0 7.2021   0.132009  -1.15298      0.318063     0.22253       0.473944      358.671  -146.429      242.036  -155.467     72.1994  65.347        
1 1 1 22 11 5  o 0 1.33596  0.472794  -0.269551     0.150343     -0.0720055    -0.0202342    75.1507  -80.3719      53.225   112.8        116.348  105.612       
1 1 1 22 11 6  < 0 0        1.23458   0.020358      -0.272061    -0.106245     0.0235225     ?        ?             20.2247  46.1035      ?        ?             
1 1 1 22 11 7  f 1 2.23553  0.556034  -0.534769     -0.812624    0.075955      -0.0263115    82.8687  -155.701      67.6009  -132.383     27.593   -51.5789      
1 1 1 22 11 8  o 0 2.01227  0.418604  0.237462      -0.175677    0.0142703     0.000604824   128.996  -19.9522      12.0835  -39.89       99.1883  162.429       
1 1 1 22 11 9  o 0 1.83245  0.460347  -0.10388      0.155003     -0.00445904   0.000641721   54.0333  50.9845       56.8081  65.2207      14.1682  150.574       
1 1 1 22 11 10 o 0 0.828646 0.708505  -0.141657     0.0798355    -0.00140588   -0.00129653   112.792  29.5682       75.5923  -154.397     197.176  -151.951      
1 1 1 22 12 0  o 0 12.6965  0.147915  -0.0947162    1.1599e-017  0             0             607.235  -8.43105e-015 445.27   0            11.6741  180           
1 1 1 22 12 1  o 0 2.71236  0.311996  0.0725521     -0.0295301   0.011198      -0.00804993   139.366  132.042       8.90471  119.097      98.5436  -46.7979      
1 1 1 22 12 2  o 0 8.4192   0.223405  -1.41034      -0.301631    -0.0546105    -0.241848     246.755  161.785       390.843  164.639      197.829  167.431       
1 1 1 22 12 3  o 0 5.82796  0.164221  -0.245111     0.276843     0.0599481     -0.0241854    251.396  16.3904       195.302  21.2972      17.7542  126.184       
1 1 1 22 12 4  o 0 4.24407  0.236425  -1.91635      1.55096      -0.656229     0.540286      270.667  57.0721       126.504  119.116      195.371  -157.814      
1 1 1 22 12 5  o 0 4.52788  0.22296   0.619878      -0.406804    -0.0675539    -0.0783939    221.301  154.786       145.371  153.724      30.302   -20.1116      
1 1 1 22 12 6  o 0 5.29416  0.230329  0.967849      0.697718     -0.123854     0.0748227     176.436  49.2642       245.56   48.2471      103.419  46.8487       
1 1 1 22 12 7  o 0 2.44643  0.370384  -0.178927     -0.693829    -0.0288247    -0.0689978    80.3566  -61.9607      75.8794  -85.4802     30.5141  -144.868      
1 1 1 22 12 8  o 0 3.27648  0.347312  -0.446384     0.0794929    -0.00414056   -0.0159412    167.24   139.327       116.877  146.369      59.4707  -54.6157      
1 1 1 22 12 9  o 0 0.292409 0.556089  0.3958        0.0829001    -0.00325462   0.0248068     19.0681  -155.542      24.424   21.5247      44.1181  22.8348       
1 1 1 22 12 10 o 0 2.49767  0.424372  -0.154857     -0.638039    -0.00625704   0.0171281     94.5388  -66.2096      124.527  -77.4142     33.2958  -112.823      
1 1 1 22 13 0  o 0 0        1.64317   0.0836556     0            0             0             0.522247 1.02241e-011  0        0            0.3764   -180          
1 1 1 22 13 1  o 0 2.47534  0.354861  0.16992       0.239763     0.0761401     0.0980782     165.484  92.8085       18.2005  -24.6432     131.559  -80.1397      
1 1 1 22 13 2  o 0 6.30954  0.167206  0.358564      -0.748325    -0.437822     -0.19577      243.78   -46.2767      233.629  -58.5302     66.6199  -94.3754      
1 1 1 22 13 3  o 0 8.80547  0.213443  0.201436      -0.257718    -0.00943818   0.00904945    308.001  -34.9058      365.993  -35.7766     129.365  -37.3701      
1 1 1 22 13 4  f 1 3.12689  0.355686  -1.10933      -0.505216    -0.170654     0.022796      86.4308  156.108       118.424  -176.432     68.2943  -150.8        
1 1 1 22 13 5  f 1 1.69316  0.399191  -0.337927     0.258257     -0.0747254    -0.0378496    146.282  130.199       17.5807  -53.386      127.853  -50.2933      
1 1 1 22 13 6  o 0 2.46202  0.383501  -0.36594      -0.245689    -0.0305574    0.0101813     95.6198  117.779       51.5961  151.477      42.5842  -104.461      
1 1 1 22 13 7  o 0 2.43701  0.377707  -0.319652     -0.147429    0.0126249     -0.00633152   62.632   55.5856       32.4603  91.5461      40.3933  -152.572      
1 1 1 22 13 8  o 0 3.50495  0.300561  0.199848      -0.199544    0.00422266    -0.00519527   108.91   69.2358       199.832  64.9606      93.3347  60.0517       
1 1 1 22 13 9  o 0 3.25981  0.310367  0.0333961     -0.0970646   -0.000255635  7.30443e-005  67.9864  -6.99596      197.354  -9.23029     129.436  -10.4038      
1 1 1 22 14 0  o 0 2.60768  0.478849  -0.184991     2.26542e-017 0             0             72.6129  -180          43.4817  -180         6.44785  2.22833e-013  
1 1 1 22 14 1  o 0 3.98775  0.243609  0.159271      0.172013     0.00922057    0.0010295     75.0398  38.8817       148.202  39.6716      97.2537  40.0855       
1 1 1 22 14 2  o 0 1.62698  0.666953  -0.97023      -0.132214    -0.0860988    -0.152731     51.2587  -107.371      38.0201  174.936      46.2222  126.109       
1 1 1 22 14 3  f 1 3.46441  0.260975  -0.463347     -0.442838    -0.0579975    0.155673      190.413  119.69        77.4092  135.636      62.2853  -80.2755      
1 1 1 22 14 4  o 0 1.34173  0.468444  0.25674       0.112778     -0.0195825    0.0405027     89.2152  -157.471      37.1302  22.0521      101.608  22.3548       
1 1 1 22 14 5  o 0 1.71856  0.413667  0.0938784     -0.0886494   0.004467      0.000383818   84.1068  120.776       9.90999  -48.405      71.6476  -57.7366      
1 1 1 22 14 6  o 0 3.80778  0.840963  -0.52101      0.575573     -0.0121009    0.0119545     75.7002  -118.12       177.316  -147.367     120.647  -164.014      
1 1 1 22 14 7  f 1 5.3812   0.24277   -0.261273     -0.677457    -0.0218915    -0.00631217   205.158  115.625       290.805  118.81       103.563  124.6         
1 1 1 22 14 8  o 0 3.61571  0.284521  -0.538904     0.250148     0.02005       -0.004259     144.999  86.3522       178.858  93.7839      46.2787  116.345       
1 1 1 22 14 9  < 0 0        1.29292   -0.278909     0.301702     -0.017926     0.00362147    ?        ?             119.689  91.517       ?        ?             
1 1 1 22 15 0  o 0 0        1.73205   0.0828641     0            0             0             141.035  -1.82788e-014 0        0            88.6758  180           
1 1 1 22 15 1  o 0 3.84249  0.25022   0.216115      0.364758     0.0113173     0.0593546     179.417  -135.187      98.1614  -138.327     18.7562  61.4687       
1 1 1 22 15 2  o 0 5.6923   0.19102   0.528137      -0.664433    -0.0898846    -0.0482556    172.866  45.1826       224.503  36.5729      112.596  27.8157       
1 1 1 22 15 3  o 0 5.36065  0.283288  0.22235       -0.413953    -0.0181039    0.0127748     220.483  44.9316       181.64   39.8636      35.4816  18.045        
1 1 1 22 15 4  < 0 0        1.17241   -0.199441     -0.0914641   -0.0137722    0.0358114     ?        ?             62.2136  151.696      ?        ?             
1 1 1 22 15 5  o 0 3.43982  0.349664  0.963014      0.421011     -0.0657764    0.0685823     135.548  4.83652       138.55   15.8101      31.344   62.1281       
1 1 1 22 15 6  o 0 2.31439  0.404512  0.0190851     -0.168834    -0.00514264   0.000801442   81.927   44.8748       83.5251  39.6008      13.7615  10.9648       
1 1 1 22 15 7  o 0 3.11111  0.480456  -0.409755     -0.556505    -0.0251416    -0.00762085   67.4533  144.023       164.658  161.159      108.667  170.539       
1 1 1 22 15 8  o 0 3.83922  0.269267  0.156412      0.353668     -0.00417938   0.00480376    96.4393  176.003       221.296  170.4        134.563  166.763       
1 1 1 22 16 0  o 0 4.53872  0.299102  -0.183973     2.25294e-017 0             0             405.707  -180          130.845  -180         110.629  1.19239e-014  
1 1 1 22 16 1  o 0 4.60172  0.217414  0.279011      -0.163548    0.015772      -0.0175072    139.035  73.9938       156.379  68.1297      72.1364  61.1975       
1 1 1 22 16 2  o 0 2.50385  0.362757  0.0318124     0.394283     -0.0271728    -0.0301695    93.5159  79.119        51.1076  83.5791      8.81081  -127.694      
1 1 1 22 16 3  o 0 3.63656  0.408971  -0.456252     0.209862     0.013644      0.0133835     121.342  -14.4868      101.648  -10.5197     24.3435  2.30413       
1 1 1 22 16 4  o 0 2.0409   0.398185  0.227271      0.258729     -0.0124421    0.0282173     61.3928  -118.712      6.83561  5.80646      54.5274  55.3595       
1 1 1 22 16 5  o 0 4.11525  0.248415  -0.372166     0.310388     -0.0174058    -0.0143743    169.697  1.31879       176.428  4.52394      38.4529  16.183        
1 1 1 22 16 6  f 1 2.22454  0.436286  0.391495      0.158967     0.0155322     -0.00414178   124.725  -105.285      54.0693  -89.9443     52.3087  58.8451       
1 1 1 22 16 7  o 0 1.75157  0.820328  0.00145262    -0.388702    -0.000124465  0.0119398     38.1432  82.6598       8.28132  55.0576      25.3359  -88.6296      
1 1 1 22 16 8  o 0 2.19494  0.718923  -0.440694     -0.254352    -0.00894293   0.00639793    69.3169  -61.9754      80.4045  -85.3585     34.8236  -128.374      
1 1 1 22 17 0  f 1 3.96232  0.399335  0.161382      0            0             0             14.4534  -180          6.32097  -180         3.65002  1.12818e-012  
1 1 1 22 17 1  o 0 2.41699  0.388708  0.245197      0.256629     0.0194598     0.00532325    83.6978  -173.908      32.122   155.887      36.4769  32.3891       
1 1 1 22 17 2  f 1 1.7489   0.803051  -0.405724     -0.422988    -0.0529385    -0.0129571    129.173  -152.813      10.3043  -39.987      98.8665  21.6741       
1 1 1 22 17 3  < 0 0        1.22474   -0.0174235    -0.0690284   -0.00210021   0.00100765    ?        ?             58.9908  -131.299     ?        ?             
1 1 1 22 17 4  o 0 3.29565  0.304405  -0.623234     0.262058     0.0472771     0.00463405    124.779  -65.2452      128.454  -73.0252     36.7107  -93.5182      
1 1 1 22 17 5  o 0 2.96523  0.432969  0.193663      0.0229466    -0.000117079  0.00181053    137.066  -23.4995      101.085  -21.5113     6.41249  123.345       
1 1 1 22 17 6  f 1 2.34393  0.441869  -0.420854     0.0683757    0.00068352    -0.0127603    79.5369  92.65         83.8     108.467      29.5121  143.361       
1 1 1 22 17 7  o 0 1.9621   0.639387  0.329463      -0.269346    -0.0116367    -0.00297796   28.7432  -4.19194      56.1071  -21.5054     34.7113  -32.945       
1 1 1 22 18 0  o 0 7.0852   0.245403  -0.778187     9.52973e-017 0             0             370.255  180           225.891  180          12.7506  -1.74188e-013 
1 1 1 22 18 1  f 1 2.83204  1.25493   0.341821      -0.685423    0.020661      0.00982519    88.1259  -129.252      103.483  -113.695     50.2964  -95.7594      
1 1 1 22 18 2  o 0 1.55696  0.490088  0.0199923     0.290984     -0.0115005    0.0121931     86.5876  -6.03214      16.3223  37.946       48.8467  160.551       
1 1 1 22 18 3  o 0 3.03335  0.466047  -0.130754     0.163085     0.00239688    -0.000457446  170.024  0.734112      76.0738  4.09493      43.5889  174.862       
1 1 1 22 18 4  o 0 0.546182 0.626802  0.234938      0.104299     0.0146945     -9.04395e-005 64.4777  4.57495       32.7695  -178.083     79.017   -176.527      
1 1 1 22 18 5  o 0 2.77291  0.448577  -0.173623     0.0654576    -0.00141689   -0.0018031    115.027  72.2604       92.9181  76.8101      11.1648  113.573       
1 1 1 22 18 6  o 0 2.24435  0.629037  0.285311      -0.167704    0.00524197    0.00172443    56.831   -67.5594      75.4483  -58.82       34.1467  -47.9433      
1 1 1 22 19 0  o 0 4.5607   0.364378  0.124349      0            0             0             242.486  -6.83282e-015 136.147  0            10.1927  180           
1 1 1 22 19 1  o 0 0.680049 0.616893  0.0971408     0.018534     0.00116314    0.00183551    39.112   52.4512       15.2356  -122.463     39.5911  -125.594      
1 1 1 22 19 2  o 0 2.16898  0.40421   0.271591      -0.109999    0.00906629    -0.0035871    135.138  -147.04       32.6371  -135.054     55.2494  25.9131       
1 1 1 22 19 3  o 0 3.9893   0.568418  -0.640447     0.0729833    0.00317461    0.0139549     187.765  -167.694      124.467  -169.605     4.21266  112.15        
1 1 1 22 19 4  f 1 3.62761  0.292479  -0.44591      -0.621904    0.00485512    0.0277255     189.75   -141.974      104.082  -139.319     22.4832  25.6407       
1 1 1 22 19 5  o 0 2.26607  1.03057   0.28783       0.0875455    0.000290383   -0.004117     104.74   -26.5292      58.6267  -19.2656     15.7549  125.405       
1 1 1 22 20 0  o 0 1.3784   0.730304  -0.268075     3.28286e-017 0             0             83.28    -180          30.4631  -180         16.4414  9.04117e-014  
1 1 1 22 20 1  o 0 3.97423  0.285723  0.330649      -0.147976    0.00664496    -0.00277884   191.831  -153.272      106.231  -150.281     7.91656  -17.7146      
1 1 1 22 20 2  o 0 4.78976  0.236624  0.191287      1.17358      -0.0485261    -0.0128955    259.422  -98.7119      119.937  -98.233      35.7396  79.6805       
1 1 1 22 20 3  o 0 3.83209  0.317508  -0.23636      0.00743528   0.00152646    -0.00158785   193.952  -105.729      102.77   -108.409     17.4799  90.2267       
1 1 1 22 21 0  o 0 1.78885  0.672988  0.192579      0            0             0             51.4565  -9.64754e-015 31.8918  0            4.92835  5.27825e-014  
1 1 1 23 0  0  o 0 41.3944  0.238987  0.672976      0            0             0             1803.55  -3.59152e-015 1863.04  0            20.6681  3.20151e-013  
1 1 1 23 0  1  o 0 15.3362  0.110056  -0.322412     -0.558435    0             0             667.467  -120          687.974  -120         8.3757   -120          
1 1 1 23 0  2  o 0 4.84768  0.178929  0.00483516    -0.00837474  0             0             97.2273  120           75.1855  120          23.2976  -60           
1 1 1 23 0  3  o 0 30.1596  0.146832  -1.08529      1.32905e-016 0             0             1284.38  180           1338.39  180          44.7359  -180          
1 1 1 23 0  4  o 0 4.96991  0.127475  -0.00484382   -0.00838974  0             0             188.666  60            136.812  60           52.2004  -120          
1 1 1 23 0  5  o 0 3.80789  0.347581  -0.0715375    0.123907     0             0             256.003  120           120.849  120          134.341  -60           
1 1 1 23 0  6  f 1 12.2678  0.129057  0.135566      0            0             0             379.821  -180          535.068  -180         164.106  180           
1 1 1 23 0  7  o 0 0        1.34164   -0.00548519   -0.00950063  0             0             28.1119  60            0        0            27.7185  -120          
1 1 1 23 0  8  f 1 7.30753  0.199733  -0.0656757    0.113754     0             0             246.746  -60           324.432  -60          92.5714  -60           
1 1 1 23 0  9  o 0 9.70052  0.19698   0.992032      0            0             0             298.562  1.24789e-015  427.046  0            145.026  -2.42667e-015 
1 1 1 23 0  10 o 0 1.22474  0.783171  0.02439       0.0422447    0             0             156.077  60            22.1895  60           123.242  -120          
1 1 1 23 0  11 f 1 2.94958  0.572561  0.00816726    -0.0141461   0             0             42.5135  -60           55.4021  -60          18.5367  -60           
1 1 1 23 0  12 o 0 2.58844  0.71789   -0.0892231    1.09263e-017 0             0             107.644  180           108.678  180          6.91653  -5.93237e-015 
1 1 1 23 0  13 o 0 0        2.14476   0.0363982     0.0630435    0             0             127.027  -120          0        0            129.754  60            
1 1 1 23 1  0  o 0 7.20417  0.142887  -0.301062     3.68682e-017 0             0             221.048  180           290.543  180          69.4668  -180          
1 1 1 23 1  1  o 0 20.3224  0.429521  -8.99522      6.28309      -2.28386      2.92632       877.077  113.191       888.83   109.227      62.3251  32.8445       
1 1 1 23 1  2  o 0 7.27342  0.132925  -0.20664      -0.36668     0.0481958     -0.0420529    171.126  166.429       297.121  -177.672     141.091  -158.338      
1 1 1 23 1  3  o 0 14.1282  0.0832139 0.697093      -1.36222     1.40174       0.0692734     569.961  0.486429      639.308  -6.986       107.167  -50.392       
1 1 1 23 1  4  o 0 10.1875  0.382481  -0.69636      3.66363      0.513316      0.315173      374.267  96.3959       460.339  95.9434      89.4747  94.0674       
1 1 1 23 1  5  o 0 2.52758  0.237935  0.295214      0.300121     0.233831      -0.311899     92.4735  140.701       63.6977  -6.7262      149.147  -26.006       
1 1 1 23 1  6  o 0 4.59497  0.179262  0.0638587     0.101586     -0.00163404   -0.00656175   177.842  -123.597      25.3622  -123.901     150.245  56.4543       
1 1 1 23 1  7  o 0 3.70345  0.448495  1.82736       -0.977499    -0.225845     0.209927      54.8879  124.855       207.271  -19.5549     252.022  -26.5483      
1 1 1 23 1  8  o 0 3.10196  0.447544  -0.264401     -0.000630668 -0.00487255   0.00148081    178.668  -73.3962      38.4355  -110.711     142.347  116.024       
1 1 1 23 1  9  o 0 4.77008  0.243923  -0.32172      0.613394     -0.278302     -0.126753     247.669  140.668       154.134  122.766      100.775  -11.2894      
1 1 1 23 1  10 o 0 1.48411  0.700641  0.109856      -0.113026    0.00649608    -0.000434834  30.0675  -36.6151      3.81601  -59.7878     23.8102  147.001       
1 1 1 23 1  11 o 0 3.09257  0.781578  -0.125367     -0.509162    0.00950151    0.00775572    83.7347  -171.452      122.697  -150.714     58.9215  -123.945      
1 1 1 23 1  12 o 0 3.34366  1.18326   -0.020921     -0.292395    0.000858482   -0.00141642   97.778   21.7798       208.112  16.6872      103.913  11.5395       
1 1 1 23 1  13 o 0 1.42027  0.746749  0.0606973     -0.413607    -0.00102686   -0.00663744   17.0478  -148.382      32.2541  -91.5063     27.0136  -57.8326      
1 1 1 23 2  0  o 0 13.3004  0.119224  0.53246       0            0             0             709.125  -4.65366e-015 574.325  0            120.676  180           
1 1 1 23 2  1  f 1 9.9643   0.377843  6.16245       -2.12811     -1.80655      0.986721      434.863  -27.3488      383.317  -36.2473     72.3803  -152.344      
1 1 1 23 2  2  o 0 19.2755  0.152435  1.33274       0.369767     -0.0941417    -0.641684     903.739  -29.1881      752.064  -28.447      134.953  146.678       
1 1 1 23 2  3  o 0 7.73236  0.176367  -0.0094921    -3.30002     2.28352       0.722394      306.786  -40.8826      287.4    -22.6702     94.0437  66.3461       
1 1 1 23 2  4  o 0 14.3304  0.0946152 -0.516464     0.792283     0.459994      0.0715181     530.665  94.0347       662.366  98.1234      147.924  112.653       
1 1 1 23 2  5  o 0 11.2133  0.104846  0.291619      0.856227     -2.34593      -0.267149     421.816  57.5693       558.495  89.2831      299.863  135.827       
1 1 1 23 2  6  o 0 1.65775  0.412001  -0.00725771   0.0428517    0.00470056    -0.0018105    63.4387  -152.973      51.4625  30.3604      113.762  28.5343       
1 1 1 23 2  7  o 0 7.41484  0.165974  -0.257055     -0.404602    -0.0150793    -0.0575226    259.13   -142.445      372.642  -140.54      124.52   -136.734      
1 1 1 23 2  8  o 0 9.47992  0.205713  -1.25664      -0.521247    -0.178485     0.0463482     345.977  -94.7303      488.528  -102.731     166.54   -118.827      
1 1 1 23 2  9  o 0 2.16648  0.422408  -0.00556571   -0.0670422   0.00173568    0.00201037    106.599  12.492        20.9359  -152.105     122.296  -164.902      
1 1 1 23 2  10 o 0 3.39254  0.354149  -0.0448706    0.178032     0.000318981   -0.00541162   163.591  105.134       113.204  105.24       36.6284  -75.1906      
1 1 1 23 2  11 f 1 1.68833  0.59956   -0.0349657    -0.0657396   2.58091e-005  0.00083619    82.6583  13.5384       10.113   -145.035     83.3964  -163.923      
1 1 1 23 2  12 o 0 2.11398  0.665801  -0.266595     0.200415     0.00504459    -0.000161101  85.7603  147.424       89.8545  146.603      4.25471  -14.9779      
1 1 1 23 2  13 < 0 0        1.57313   -0.119283     0.129701     -0.00180549   -0.00124387   ?        ?             66.5529  -174.573     ?        ?             
1 1 1 23 3  0  o 0 3.91152  0.240417  -0.0920828    1.12765e-017 0             0             58.2776  180           43.9795  180          12.0109  -2.32602e-012 
1 1 1 23 3  1  o 0 17.2633  0.617986  -11.0884      12.4457      -0.270272     4.62387       781.634  141.371       680.683  133.233      125.098  11.7433       
1 1 1 23 3  2  o 0 7.11227  0.129081  -0.340825     -1.30998     0.790519      -0.118302     398.857  -119.903      158.688  -142.947     247.288  74.6455       
1 1 1 23 3  3  o 0 4.6147   0.335475  -3.01024      -0.734916    -0.49068      -0.196846     264.21   -158.437      81.8274  -169.385     176.15   26.6244       
1 1 1 23 3  4  o 0 6.04026  0.411049  -1.0719       0.433666     -0.0399874    0.0302487     287.278  2.49649       107.612  69.2245      256.178  159.797       
1 1 1 23 3  5  o 0 5.4886   0.160559  -0.337541     -0.251718    -0.304847     0.0394031     255.149  -59.0899      142.025  -102.295     174.552  154.761       
1 1 1 23 3  6  o 0 6.33169  0.156009  0.0544596     0.506536     0.0376661     0.359217      372.327  79.6297       182.085  70.6491      177.332  -91.147       
1 1 1 23 3  7  o 0 7.69298  0.32705   1.3636        0.3081       -0.0981334    -0.123685     319.66   -39.5161      351.056  -31.0773     66.1203  11.6672       
1 1 1 23 3  8  o 0 9.34742  0.136165  -0.12823      -0.0922008   -0.000855257  0.00322945    413.372  21.7764       412.477  21.5442      15.983   15.7725       
1 1 1 23 3  9  o 0 5.56211  0.209537  -0.0165719    0.78732      -0.112861     -0.19907      237.037  126.951       233.534  117.926      36.7532  41.5835       
1 1 1 23 3  10 o 0 6.14133  0.225609  0.0440719     0.285461     -0.00748278   0.00311608    182.052  -37.5218      346.139  -34.9753     178.426  -32.5772      
1 1 1 23 3  11 o 0 5.26184  0.274834  0.221451      -0.57052     -0.00500489   -0.016695     222.951  -120.485      296.194  -114.554     49.53    -82.3213      
1 1 1 23 3  12 f 1 1.17053  0.712739  -0.0262349    -0.15407     -0.000831049  -0.00122219   63.8694  -8.07054      14.1281  -148.815     81.4493  178.231       
1 1 1 23 3  13 < 0 0        1.54886   0.408546      -0.202895    0.00594166    -0.00398508   ?        ?             55.3951  -59.5311     ?        ?             
1 1 1 23 4  0  o 0 24.1826  0.131608  1.22267       0            0             0             1246.04  180           1003.17  180          170.033  -5.07102e-014 
1 1 1 23 4  1  o 0 11.5074  0.363525  -4.47157      -4.68507     -0.211363     -1.55637      451.991  -95.7993      495.122  -106.132     106.622  -152.2        
1 1 1 23 4  2  o 0 2.84171  0.287689  0.358974      -0.572403    0.0313317     0.0481435     236.71   -65.2623      73.8376  108.945      298.754  113.308       
1 1 1 23 4  3  o 0 8.97717  0.281918  0.317036      1.57745      0.124063      -0.0880153    379.873  7.46725       346.124  32.743       156.007  116.149       
1 1 1 23 4  4  o 0 9.73618  0.170165  0.420474      -1.72163     0.368904      0.520045      461.854  -133.981      339.741  -122.483     129.596  14.5157       
1 1 1 23 4  5  o 0 4.27629  0.201931  1.16651       0.351797     -0.791807     0.0321827     126.316  101.051       157.011  41.0948      142.659  -6.63446      
1 1 1 23 4  6  < 0 0        1.20592   0.143897      0.115335     0.000867037   -0.0154523    ?        ?             226.782  -173.904     ?        ?             
1 1 1 23 4  7  f 1 2.5322   0.330846  0.322046      -0.431409    0.096983      0.0453496     83.8052  70.1721       54.2449  -39.0902     109.28   -81.8847      
1 1 1 23 4  8  o 0 4.0145   0.267613  -0.108314     -0.315763    -0.0261735    0.0807115     120.852  161.061       137.183  -178.381     49.8023  -123.638      
1 1 1 23 4  9  f 1 5.18652  0.219932  0.245458      -0.168266    0.00457607    -0.0114826    151.124  0.891812      286.51   -1.80798     148.998  -4.30487      
1 1 1 23 4  10 f 1 4.12668  0.530501  1.30146       0.0498975    -0.0287761    0.0521208     90.2572  129.071       202.889  87.6297      151.253  66.4721       
1 1 1 23 4  11 o 0 1.99822  0.933184  -0.0390453    -0.220141    0.0021476     0.00307096    150.198  4.11268       20.1242  -123.363     186.78   -170.982      
1 1 1 23 4  12 o 0 2.46806  1.09758   -0.390504     -0.455906    0.0133008     0.000315187   51.8421  40.5489       85.126   32.6418      28.3401  16.1418       
1 1 1 23 5  0  o 0 9.67471  0.132543  -0.262323     3.21243e-017 0             0             435.419  -2.45153e-015 391.266  0            10.1551  180           
1 1 1 23 5  1  o 0 23.5642  0.139691  -0.478847     2.11402      -0.241104     1.53197       1102.78  86.6059       886.487  80.3375      173.492  -59.4828      
1 1 1 23 5  2  o 0 5.32316  0.221182  0.50275       1.57933      0.229124      -0.227864     177.856  109.734       185.406  82.8116      83.9578  18.9452       
1 1 1 23 5  3  o 0 8.00015  0.167303  -1.21932      1.09392      0.063722      0.391675      478.471  -170.862      174.319  169.963      291.775  20.4544       
1 1 1 23 5  4  o 0 9.51211  0.588806  -0.802456     -3.82895     0.300456      -0.225658     495.116  -45.4815      325.609  -82.6588     287.941  177.623       
1 1 1 23 5  5  o 0 6.82195  0.224956  -1.9634       1.41194      0.217676      0.982642      462.305  -151.257      151.058  -170.972     293.122  38.7549       
1 1 1 23 5  6  o 0 5.8656   0.187296  -0.00309872   0.480623     -0.0244411    0.254347      165.711  -176.36       287.149  -179.557     131.969  176.669       
1 1 1 23 5  7  o 0 2.21267  0.84105   -1.28681      0.71443      -0.0403803    0.129928      140.07   -145.849      74.8474  117.769      159.457  61.9573       
1 1 1 23 5  8  o 0 2.37478  0.386616  -0.403047     0.264448     0.0913453     0.0401159     68.5557  -164.631      44.9345  149.058      47.3534  58.6966       
1 1 1 23 5  9  o 0 1.4135   0.68533   -0.302567     0.126986     -0.0204185    -0.00846115   110.342  -136.553      37.9947  67.1581      137.771  49.8144       
1 1 1 23 5  10 o 0 2.44986  0.459816  0.24981       -0.135672    0.008955      0.00268064    127.981  53.0828       49.8533  29.1155      76.2784  -111.521      
1 1 1 23 5  11 f 1 1.63602  0.777175  -0.0769926    -0.0347482   0.0004961     -0.00033527   70.0114  -119.958      38.5675  -125.144     40.3821  64.9941       
1 1 1 23 5  12 o 0 2.09204  0.553676  0.19575       -0.434773    -0.00796598   0.000503595   10.9383  -37.9471      73.7395  -57.5863     62.1315  -61.4559      
1 1 1 23 6  0  o 0 19.3417  0.125848  0.093486      0            0             0             960.252  180           768.164  180          97.4297  -9.04992e-014 
1 1 1 23 6  1  o 0 7.49745  0.117937  0.93544       -0.410465    -1.21537      -0.0121982    287.299  -113.962      324.397  -76.8804     195.617  -23.0885      
1 1 1 23 6  2  o 0 2.5159   0.271798  -0.069573     -0.030808    -0.00180405   -0.00540752   59.8218  -126.608      24.7396  62.0737      79.5503  56.0825       
1 1 1 23 6  3  o 0 5.33662  0.137992  0.355661      -0.194021    0.084154      0.181058      240.168  27.2778       116.058  8.37327      119.045  -134.309      
1 1 1 23 6  4  o 0 8.49543  0.28535   -0.895304     1.67823      0.290147      0.161228      373.98   55.129        357.191  63.8865      55.6487  132.886       
1 1 1 23 6  5  f 1 7.30752  0.150752  0.327088      0.969979     0.205049      1.49202       309.291  100.661       338.124  68.7293      178.952  12.7126       
1 1 1 23 6  6  o 0 6.49838  0.178865  -0.393694     -0.0814903   0.0411867     -0.0736023    287.397  95.8294       259.252  103.92       38.0353  -157.772      
1 1 1 23 6  7  o 0 0.687754 0.584346  0.109423      0.199884     0.0337256     -0.00644159   75.6507  -34.2529      65.5667  139.812      136.508  142.9         
1 1 1 23 6  8  o 0 2.8815   0.641082  -1.05678      -0.12451     -0.0545237    0.0218414     44.9495  -144.952      135.458  -162.662     97.1307  -170.055      
1 1 1 23 6  9  f 1 2.2252   0.443891  0.22506       -0.169042    0.00630189    -0.0196664    67.2084  -138.158      37.358   -98.0987     40.4066  5.32747       
1 1 1 23 6  10 o 0 3.86701  0.318077  0.870861      0.72932      0.00727947    0.0866208     66.016   -126.394      98.6411  -96.5057     49.9477  -46.6226      
1 1 1 23 6  11 o 0 0.483021 0.700063  -0.0149562    0.0552528    -0.000178688  0.000188648   86.6901  4.27962       83.9386  -176.728     183.115  -176.182      
1 1 1 23 6  12 o 0 1.43955  0.687366  -0.189268     0.328369     0.00461185    -0.00513487   25.8542  12.376        28.4917  96.8373      39.1155  145.907       
1 1 1 23 7  0  o 0 4.71169  0.232332  -0.04849      5.93811e-018 0             0             222.758  -7.53312e-014 119.253  0            76.7031  180           
1 1 1 23 7  1  o 0 7.57321  0.120811  0.847496      0.671874     -0.66425      -0.243544     241.142  78.9712       314.212  78.2816      99.3129  76.7889       
1 1 1 23 7  2  o 0 6.78185  0.207827  0.799727      1.42984      0.592504      -0.283775     333.795  39.2671       177.677  29.4498      129.462  -127.2        
1 1 1 23 7  3  o 0 1.80983  0.334998  0.222119      -0.967677    0.188766      0.151502      103.997  4.46072       61.4277  -117.143     135.136  -152.762      
1 1 1 23 7  4  o 0 8.00163  0.236218  -0.0362168    -2.01539     0.43849       -0.270346     323.016  19.2923       365.478  -5.94972     161.019  -56.1583      
1 1 1 23 7  5  f 1 5.41733  0.178793  -1.15434      0.373804     0.0955227     0.533639      97.8253  73.1444       250.575  96.5753      173.803  108.124       
1 1 1 23 7  6  o 0 8.0878   0.15486   -0.296828     1.25279      -0.421489     0.416743      286.816  -140.701      393.949  -143.652     131.375  -149.583      
1 1 1 23 7  7  o 0 2.59231  0.338634  -0.260385     0.356675     0.0560162     0.0182858     114.272  33.6364       39.3548  111.16       105.095  -167.81       
1 1 1 23 7  8  o 0 1.95772  0.373184  -0.203186     -0.148329    -0.0123171    0.02666       92.1414  -0.884405     10.3063  -89.614      83.9075  -173.831      
1 1 1 23 7  9  o 0 1.95083  0.804969  -0.370564     -0.101707    -0.000950507  -0.0145456    48.8469  65.6645       25.8625  170.237      57.0776  -140.346      
1 1 1 23 7  10 o 0 2.83929  0.419636  -0.305589     -0.242683    0.00726546    0.00594592    140.337  96.4709       91.9462  115.465      81.1255  -105.176      
1 1 1 23 7  11 o 0 3.06988  0.419225  0.0295645     0.173816     -0.000698759  0.00024319    126.987  37.5333       169.638  39.8106      25.2357  53.0262       
1 1 1 23 8  0  o 0 6.39531  0.204451  -0.222942     2.73016e-017 0             0             419.699  180           248.886  180          101.584  -2.93414e-014 
1 1 1 23 8  1  o 0 14.1783  0.251606  -1.35973      -1.63308     -0.244073     -0.377074     446.987  -158.507      720.697  -155.813     342.438  -152.831      
1 1 1 23 8  2  o 0 7.19035  0.13168   -0.236507     0.0686717    0.0553002     -0.142389     302.709  -101.608      281.524  -102.424     21.5853  -112.311      
1 1 1 23 8  3  o 0 7.62395  0.12052   0.389349      0.121014     0.120895      -0.129244     213.52   -21.1951      390.844  -18.6341     205.249  -16.3141      
1 1 1 23 8  4  o 0 1.74947  0.337274  -0.261181     -0.331134    0.479884      0.162723      143.576  -106.639      58.0127  99.8542      180.407  81.6082       
1 1 1 23 8  5  o 0 3.38315  0.284492  0.934198      -0.551193    0.0720024     0.276206      147.226  -66.6871      92.0231  -37.9646     67.373   72.2873       
1 1 1 23 8  6  o 0 3.60832  0.280975  -0.155945     0.0463225    0.0248162     0.00931271    54.6153  -178.828      84.8305  177.016      35.6913  171.254       
1 1 1 23 8  7  o 0 2.97524  0.329708  0.44508       -0.0209144   -0.00212603   0.0311739     140.655  36.3872       90.8128  26.0801      38.4887  -118.641      
1 1 1 23 8  8  o 0 0.626336 0.597649  0.463549      0.0702839    0.0166418     -0.0817279    41.8571  -96.1755      37.1912  64.5677      73.6285  74.2349       
1 1 1 23 8  9  o 0 3.10311  0.341664  -0.204272     -0.458273    -0.0193853    0.0223735     65.8273  -170.987      156.449  -150.337     90.5493  -133.447      
1 1 1 23 8  10 o 0 3.0998   0.50167   0.000837643   0.795692     -0.00928403   0.0268831     24.5013  137.507       195.712  114.047      170.796  110.365       
1 1 1 23 8  11 o 0 3.0575   0.602991  0.104148      0.011488     8.28667e-006  -0.000166826  54.8904  -162.9        191.433  -162.247     128.987  -161.931      
1 1 1 23 9  0  o 0 5.54076  0.216939  0.029239      0            0             0             25.574   4.51705e-014  65.2528  0            44.5204  -2.10352e-014 
1 1 1 23 9  1  o 0 5.28867  0.173397  -0.675442     1.09954      -0.0848047    0.575687      67.5407  58.266        266.068  79.0578      214.861  84.3426       
1 1 1 23 9  2  o 0 13.8298  0.143936  1.23079       1.58456      1.15729       0.17707       530.859  36.8962       620.792  32.5909      179.993  21.8903       
1 1 1 23 9  3  f 1 4.63373  0.181521  -0.285316     -0.210804    0.164402      0.167392      137.724  61.3397       158.809  58.3419      43.963   50.4504       
1 1 1 23 9  4  o 0 5.75086  0.145997  0.472094      -0.0629329   0.123537      -0.232562     207.048  20.0477       239.949  8.68708      73.6653  -19.866       
1 1 1 23 9  5  o 0 6.39145  0.403961  -3.07889      2.85099      0.273391      0.656442      299.715  150.978       233.915  150.991      28.602   -29.1253      
1 1 1 23 9  6  o 0 5.06347  0.385039  1.66011       0.611246     -0.17731      -0.0211408    226.526  -176.421      140.454  157.35       97.6516  43.0485       
1 1 1 23 9  7  o 0 5.25623  0.435326  1.02887       -0.91817     0.0666126     0.0490573     227.264  -62.9571      222.365  -57.014      33.1119  -18.9039      
1 1 1 23 9  8  f 1 2.64188  1.15352   0.0381744     1.45487      0.0620592     -0.0224577    89.2262  -37.4181      106.445  50.2985      129.145  87.1381       
1 1 1 23 9  9  o 0 4.10249  0.360808  0.194777      -0.108738    0.00174334    0.00131718    86.6302  -63.3628      256.45   -59.8219     159.912  -57.6786      
1 1 1 23 9  10 < 0 0        1.41244   -0.301688     -0.0711667   0.0111132     -0.00302459   ?        ?             43.432   117.077      ?        ?             
1 1 1 23 9  11 o 0 1.85692  0.876916  0.120194      0.365818     0.00354414    0.00461674    23.6804  30.4585       63.2517  52.4288      39.7742  66.9684       
1 1 1 23 10 0  o 0 11.7175  0.147481  -0.822152     1.00681e-016 0             0             523.719  180           428.441  180          17.5562  -180          
1 1 1 23 10 1  o 0 5.87577  0.391548  2.27689       1.31459      -0.0441126    -0.374428     204.387  65.7422       242.266  48.974       97.7326  20.0865       
1 1 1 23 10 2  o 0 5.44416  0.315837  -1.4324       -0.390019    -0.0989616    -0.156232     62.8919  125.176       270.218  162.564      231.583  170.29        
1 1 1 23 10 3  o 0 2.32624  0.32718   0.0456191     0.163979     -0.0366611    0.0606401     219.899  115.42        52.1697  -53.1427     233.626  -62.0422      
1 1 1 23 10 4  o 0 9.56743  0.114706  -0.629625     0.112192     0.022991      0.0813339     181.706  124.133       545.529  128.549      393.126  130.267       
1 1 1 23 10 5  o 0 1.23463  0.488903  -0.204788     0.126049     -0.0238418    0.00642072    31.3457  -49.4748      30.3669  137.316      57.09    134.131       
1 1 1 23 10 6  o 0 4.29209  0.441095  -0.239023     -0.650555    -0.00596776   -0.0311111    205.692  -87.9621      150.772  -91.5962     23.6635  115.857       
1 1 1 23 10 7  o 0 2.67249  0.392332  -0.261908     0.178771     -0.00891635   0.000206663   82.4091  8.55645       57.7916  28.335       25.0897  137.347       
1 1 1 23 10 8  < 0 0        1.2424    0.198499      -0.150049    0.00628315    -0.0264638    ?        ?             123.261  -65.2983     ?        ?             
1 1 1 23 10 9  o 0 3.97764  0.272201  -1.00006      -0.357004    0.0228641     0.0636557     42.5569  96.0232       272.474  125.665      233.811  131.218       
1 1 1 23 10 10 o 0 1.57351  0.7454    0.794551      -0.0398936   0.023024      0.0326375     81.1774  173.409       11.8367  5.66247      100.326  -5.15642      
1 1 1 23 11 0  o 0 6.9857   0.208413  0.0738361     0            0             0             192.072  180           244.143  180          98.8083  -180          
1 1 1 23 11 1  o 0 9.06282  0.202219  -0.463274     0.127696     -0.0192725    -0.0107814    327.079  -103.656      373.776  -107.155     122.079  -114.427      
1 1 1 23 11 2  o 0 8.56285  0.296939  1.6841        1.25568      0.119887      -0.271829     349.816  -22.749       334.974  -11.055      85.3958  29.9107       
1 1 1 23 11 3  o 0 3.97268  0.225318  -0.0902352    -0.499826    0.0478486     0.0226751     105.43   99.3433       72.5464  116.591      26.5201  -134.86       
1 1 1 23 11 4  o 0 3.68738  0.315639  0.68307       -0.0976837   -0.0434456    -0.00839813   170.707  -14.4535      92.4811  -12.5579     47.3959  161.846       
1 1 1 23 11 5  o 0 3.57519  0.253081  0.344032      -0.630881    -0.100318     0.046189      140.739  -3.37471      127.946  -19.2041     36.3941  -76.9016      
1 1 1 23 11 6  o 0 2.30165  0.388335  -0.449517     0.232171     -0.0167653    -0.085019     172.002  103.861       23.0035  166.738      131.349  -85.106       
1 1 1 23 11 7  o 0 0.673131 0.609567  0.174374      0.133052     0.01366       0.00277684    36.665   -117.335      30.9685  57.9522      61.3375  60.2877       
1 1 1 23 11 8  o 0 3.46704  0.371253  -1.2166       0.990752     0.155524      0.00317253    67.1933  -76.2887      155.098  -168.936     173.455  166.991       
1 1 1 23 11 9  o 0 2.10407  0.977226  0.143448      -0.0945878   -0.00147983   -6.53106e-005 33.2512  -42.473       74.4774  -40.5655     39.5722  -38.8812      
1 1 1 23 11 10 o 0 1.50857  0.712217  -0.11841      -0.307763    0.00504515    0.00395088    39.6245  162.62        31.4752  -147.811     32.5146  -64.8432      
1 1 1 23 12 0  o 0 4.32435  0.311977  -0.219582     2.68902e-017 0             0             136.42   -180          130.97   -180         31.7768  180           
1 1 1 23 12 1  o 0 5.95722  0.207217  -0.0748234    -1.18321     0.159188      0.142404      79.2244  -170.754      275.701  -140.387     226.726  -132.822      
1 1 1 23 12 2  o 0 1.89082  0.586236  -0.50823      0.00563655   -0.0331005    -0.0141465    241.137  135.502       86.5234  -53.7172     269.484  -47.4465      
1 1 1 23 12 3  o 0 1.0554   0.565219  -0.106683     0.214016     -0.00649416   0.0189915     54.7244  -64.3693      42.5435  115.818      85.0843  115.724       
1 1 1 23 12 4  o 0 3.28067  0.370729  -0.183864     0.191662     -0.00541927   0.00427104    151.179  126.149       93.2386  127.03       22.0685  -57.5755      
1 1 1 23 12 5  o 0 1.8262   0.563995  0.0407904     0.451219     0.0188782     0.0117834     122.006  -13.1606      26.5195  101.41       108.487  153.994       
1 1 1 23 12 6  o 0 4.39448  0.49262   0.873214      -1.48332     0.129876      0.00477546    107.202  -40.5246      217.244  -46.2982     133.158  -49.9708      
1 1 1 23 12 7  o 0 5.1085   0.208112  -0.477117     0.779343     -0.0181645    -0.0541794    141.507  -65.8178      296.787  -67.3877     154.6    -68.8326      
1 1 1 23 12 8  o 0 3.826    0.263101  0.813018      -0.818715    0.0648951     -0.0612231    161.731  -90.5116      198.123  -80.2823     48.0604  -43.45        
1 1 1 23 12 9  o 0 3.05357  0.330204  -0.386461     -0.488325    -8.14961e-005 0.0201143     89.4984  167.018       178.404  179.285      91.106   -168.396      
1 1 1 23 13 0  o 0 9.93982  0.163294  0.517048      0            0             0             411.051  -3.31737e-015 322.46   0            47.1466  1.93718e-014  
1 1 1 23 13 1  o 0 2.98905  0.309161  -0.435716     -0.0321069   0.00401719    -0.0431204    53.5421  165.873       87.6357  171.406      51.0975  175.392       
1 1 1 23 13 2  o 0 5.54813  0.188548  0.455062      -0.707206    0.0565411     -0.125872     161.18   -58.6123      239.746  -56.4803     126.345  -54.5643      
1 1 1 23 13 3  o 0 4.65836  0.2017    0.130753      -0.14523     -0.000525713  -0.014146     162.974  -108.339      177.526  -105.205     60.7092  -99.1392      
1 1 1 23 13 4  o 0 6.16345  0.310208  0.038415      -1.56642     0.0162579     0.180965      247.312  -113.673      240.051  -110.408     59.5419  -100.401      
1 1 1 23 13 5  o 0 2.57697  0.765386  -0.955095     -0.166608    -0.0455684    0.00983854    76.6883  -42.0671      64.6437  -120.594     77.4777  -167.214      
1 1 1 23 13 6  o 0 1.31571  0.677194  -0.355763     -0.136542    0.0114233     -0.017103     49.3296  28.2853       41.0088  -155.75      87.9818  -153.594      
1 1 1 23 13 7  o 0 1.68988  0.481688  0.21845       0.141421     -0.00840741   0.00479789    41.5989  -40.0523      38.6331  -13.7832     17.7981  66.065        
1 1 1 23 13 8  o 0 2.67934  0.3542    -0.593898     -0.171337    0.020669      -0.0112287    92.7322  -22.2172      121.158  -34.3271     38.1897  -63.9423      
1 1 1 23 13 9  o 0 0.449292 0.608716  0.0531697     -0.205842    -0.00265552   -0.00409619   20.4336  147.906       21.0028  -40.8604     41.095   -36.5615      
1 1 1 23 14 0  f 1 4.5607   0.33609   -0.667477     8.17396e-017 0             0             300.383  -180          141.091  -180         47.8468  8.37912e-014  
1 1 1 23 14 1  o 0 3.63238  0.266834  -0.294727     -0.246132    0.00213574    0.0531228     66.1179  -119.878      125.024  -125.41      81.8785  -128.343      
1 1 1 23 14 2  f 1 3.62888  0.275694  -0.361354     0.596964     -0.12243      0.00681045    169.804  13.9388       97.314   36.7869      44.265   135.33        
1 1 1 23 14 3  o 0 1.88345  0.870989  0.246589      -0.218197    0.00391027    0.0072565     168.672  164.381       28.3725  -28.9323     144.138  -18.2169      
1 1 1 23 14 4  o 0 1.71425  0.791811  -0.123521     0.145919     -0.00345351   0.00323355    41.3189  57.2298       10.7888  128.935      27.7068  -144.468      
1 1 1 23 14 5  f 1 5.80208  0.187525  -0.266205     -0.296726    0.0040692     0.00988375    136.31   163.185       339.834  168.12       219.959  170.823       
1 1 1 23 14 6  o 0 2.07903  0.445872  0.119799      -0.297289    0.00326695    -0.0126912    56.0962  -16.2419      75.3308  -29.4333     28.7227  -53.0053      
1 1 1 23 14 7  f 1 3.94052  0.605176  -0.867177     0.091507     -0.00625238   -0.022975     86.3829  -58.2922      235.497  -70.3765     160.203  -76.2154      
1 1 1 23 14 8  o 0 1.10313  0.630724  0.477205      -0.131652    0.0243159     0.00693406    22.653   135.743       28.0896  -18.6268     48.0326  -29.6041      
1 1 1 23 15 0  o 0 0        1.78885   0.0510437     0            0             0             153.046  -180          0        0            92.8613  8.25404e-015  
1 1 1 23 15 1  o 0 1.86235  0.456585  -0.0378873    0.122909     -0.00376668   0.00367534    70.3443  -21.8166      5.39308  51.3428      42.7425  151.247       
1 1 1 23 15 2  o 0 3.37803  0.289099  0.875373      0.109002     0.0699424     -0.125471     127.304  -40.8039      103.165  -23.0756     35.4725  21.52         
1 1 1 23 15 3  o 0 2.32553  0.377183  0.144757      0.284098     0.00523314    0.0252726     104.733  -125.947      19.8705  -135.83      49.4958  58.0045       
1 1 1 23 15 4  o 0 1.06631  0.580995  0.0559916     -0.176829    -0.00591801   0.00722745    104.317  -108.918      49.9018  66.2126      137.468  69.3159       
1 1 1 23 15 5  o 0 5.13809  0.191982  -0.0352419    -0.274954    -0.00570128   -0.000904659  159.086  -131.393      275.12   -130.198     141.414  -129.069      
1 1 1 23 15 6  o 0 4.0549   0.678436  -0.897243     -0.693095    0.030999      -0.0119836    170.971  -27.8745      180.339  -38.856      45.8     -76.4713      
1 1 1 23 15 7  o 0 1.89021  0.641535  0.299579      0.35463      0.0122507     0.00339094    36.3498  44.8701       63.2105  46.7769      31.411   48.7093       
1 1 1 23 16 0  o 0 4.71169  0.326736  -0.575247     7.04452e-017 0             0             94.6017  -1.10746e-014 129.242  0            61.4478  1.22184e-014  
1 1 1 23 16 1  o 0 4.44434  0.245611  -0.486214     -0.438404    0.0106971     0.0485676     190.719  32.7394       148.266  30.9918      8.43403  0.319766      
1 1 1 23 16 2  o 0 5.20962  0.455364  0.336217      0.582591     -0.022102     -0.00815      181.903  18.1253       219.246  23.8957      82.7083  33.5828       
1 1 1 23 16 3  o 0 2.63464  0.413905  -0.302588     -0.110064    0.0061161     -0.0113616    127.528  -145.809      58.5179  -150.807     41.5767  41.2345       
1 1 1 23 16 4  o 0 4.73028  0.218807  0.599986      0.50165      -0.00342024   0.0423221     87.5664  -158.623      260.275  -161.407     191.852  -162.401      
1 1 1 23 16 5  o 0 2.76942  0.340845  -0.225069     -0.205446    0.00165927    0.0104997     154.93   157.799       77.0246  164.774      48.4176  -33.3396      
1 1 1 23 16 6  o 0 1.94288  0.491098  0.267459      -0.210623    -0.00495785   -0.00689027   91.7625  157.084       39.4509  163.295      36.0151  -29.7228      
1 1 1 23 16 7  o 0 1.77347  0.49598   -0.204295     0.129328     -0.0010252    -0.00402381   113.217  -174.939      25.027   171.367      70.3517  9.89213       
1 1 1 23 17 0  o 0 2.50998  0.558401  0.279134      0            0             0             68.5216  -2.04341e-014 74.2852  0            28.954   3.19921e-014  
1 1 1 23 17 1  o 0 2.89734  0.341984  -0.0434687    0.144914     -0.000103501  -0.00216379   121.349  42.7565       92.3436  45.69        10.3887  69.8154       
1 1 1 23 17 2  o 0 2.8407   0.895215  -1.01054      -0.268856    -0.0455045    0.0114791     142.788  -146.892      82.0893  -151.72      19.9821  53.3358       
1 1 1 23 17 3  f 1 2.9313   0.362822  0.491154      -0.196857    0.0189975     0.0148231     106.969  -134.38       107.35   -123.637     35.4751  -100.043      
1 1 1 23 17 4  o 0 2.60137  0.377194  -0.455014     -0.0249345   0.0194679     0.0084878     69.5734  -152.362      103.293  -158.093     52.2553  -163.746      
1 1 1 23 17 5  o 0 1.77641  0.822164  -0.0240252    -0.345272    0.00442999    -0.00788908   95.3655  173.917       30.7652  -158.788     47.0971  -23.5145      
1 1 1 23 17 6  f 1 2.17102  0.960245  -0.0165745    0.187541     -0.000156447  -0.00213049   31.7385  151.957       54.7599  139.767      31.5248  130.439       
1 1 1 23 18 0  o 0 2.56905  0.537089  0.0562334     0            0             0             49.0355  -180          53.9506  -180         23.4772  180           
1 1 1 23 18 1  < 0 0        1.29875   -0.170733     -0.161634    0.010973      0.000544205   ?        ?             40.7519  30.6054      ?        ?             
1 1 1 23 18 2  o 0 4.26884  0.250113  -0.203721     0.612162     -0.0239506    -0.0049861    235.06   38.0426       114.591  44.1251      43.5864  -158.133      
1 1 1 23 18 3  o 0 2.56879  0.90945   0.0337713     0.104808     0.000148199   -0.000667213  129.027  62.0651       65.9135  62.6121      21.9963  -119.574      
1 1 1 23 18 4  o 0 1.39963  0.536462  0.163966      0.298046     0.000972143   0.0130019     37.2447  92.9616       19.5957  69.0499      11.3434  -42.5949      
1 1 1 23 18 5  o 0 2.84042  0.352679  -0.305482     -0.096489    -0.000334559  0.00601911    116.594  -133.696      96.0894  -137.003     13.7718  -157.43       
1 1 1 23 19 0  o 0 0        1.84391   0.110261      0            0             0             49.4844  2.45735e-014  0        0            28.7887  -180          
1 1 1 23 19 1  o 0 2.03062  0.935566  -0.0803745    -0.157662    0.00224882    0.000648554   50.2562  97.3086       35.5668  105.461      7.05321  142.961       
1 1 1 23 19 2  o 0 5.14991  0.275789  -0.289954     -0.969918    -0.00701785   0.033024      247.874  134.093       153.781  139.798      15.3209  -131.999      
1 1 1 23 19 3  o 0 3.6665   0.298717  0.744209      -0.123988    0.0235307     0.012769      148.753  130.893       120.087  124.42       27.764   101.709       
1 1 1 23 20 0  o 0 0        1.87083   -0.0637303    7.80446e-018 0             0             73.3647  6.1987e-014   0        0            39.8261  -180          
1 1 1 24 0  0  o 0 13.5204  0.175224  -0.0686066    8.40161e-018 0             0             491.781  -8.89098e-014 578.71   0            95.1724  4.5172e-013   
1 1 1 24 0  1  o 0 22.3942  0.122132  -0.22588      -0.391236    0             0             971.039  -120          970.319  -120         15.3599  -120          
1 1 1 24 0  2  o 0 2.88097  0.29742   0.0486805     -0.0843171   0             0             70.7578  120           7.91896  120          61.5151  -60           
1 1 1 24 0  3  o 0 0        1.34164   -0.0241576    2.95835e-018 0             0             116.298  -180          0        0            113.751  2.47642e-014  
1 1 1 24 0  4  o 0 10.5594  0.11244   -0.00214574   -0.00371654  0             0             442.63   -120          452.852  -120         21.4683  -120          
1 1 1 24 0  5  f 1 14.3388  0.165458  -0.0966485    0.1674       0             0             608.003  120           613.397  120          32.0493  120           
1 1 1 24 0  6  o 0 2.75681  0.499461  -0.0352151    4.31247e-018 0             0             64.308   -5.76848e-015 12.2662  0            49.9158  180           
1 1 1 24 0  7  o 0 0.774597 0.668761  0.0511826     0.0886508    0             0             222.713  60            14.5449  60           194.363  -120          
1 1 1 24 0  8  o 0 0        1.64317   -0.00357248   0.00618772   0             0             25.4544  120           0        0            23.7141  -60           
1 1 1 24 0  9  o 0 4.34741  0.369729  0.0858913     0            0             0             140.207  -180          154.458  -180         25.0532  180           
1 1 1 24 0  10 o 0 0        1.89737   -0.00895641   -0.015513    0             0             75.9592  60            0        0            66.6052  -120          
1 1 1 24 0  11 o 0 1.54919  0.833999  0.0397097     -0.0687792   0             0             108.558  -60           39.1407  -60          54.4587  120           
1 1 1 24 0  12 o 0 1        0.953622  0.0796594     0            0             0             14.4206  2.94363e-014  9.16548  0            5.7032   -180          
1 1 1 24 0  13 o 0 0        2.19089   0.0633807     0.109779     0             0             71.4233  -120          0        0            71.6624  60            
1 1 1 24 1  0  o 0 23.6008  0.128531  -0.441434     5.40583e-017 0             0             1053.78  180           1002.93  180          13.4632  -2.19223e-012 
1 1 1 24 1  1  o 0 11.2501  0.22008   -2.09119      0.733422     -0.669668     0.223445      317.123  -124.292      588.437  -139.165     302.527  -154.243      
1 1 1 24 1  2  f 1 7.69933  0.500025  12.3948       -3.5984      -3.00726      2.31833       307.616  -10.6636      301.595  -1.5827      47.8485  73.5001       
1 1 1 24 1  3  o 0 18.0191  0.303883  1.44984       -5.40788     1.45416       0.275294      659.607  -44.3775      862.709  -44.9183     225.316  -46.4486      
1 1 1 24 1  4  o 0 9.15721  0.553975  4.02086       -1.99203     -0.151964     0.245461      458.054  16.5904       330.724  -18.0467     253.628  -115.58       
1 1 1 24 1  5  o 0 5.95447  0.435366  4.11084       0.434326     -0.901169     -0.454121     287.892  -61.3896      243.094  -4.17401     251.295  64.193        
1 1 1 24 1  6  o 0 1.91054  0.33637   0.0929914     -0.0573809   -0.0417851    -0.00920212   179.06   9.01419       70.2453  -167.177     238.497  -169.865      
1 1 1 24 1  7  o 0 1.14411  0.516066  -0.125924     -0.466851    0.118248      -0.0263376    68.4922  -59.9746      37.422   143.064      99.816   128.462       
1 1 1 24 1  8  o 0 5.00632  0.218503  0.107506      0.417142     0.0211923     0.0829256     306.158  145.038       115.113  134.552      174.62   -28.0707      
1 1 1 24 1  9  o 0 2.3928   0.901423  0.428396      -0.988343    0.0240915     0.0691027     112.946  -159.005      87.8707  -60.1832     147.019  -15.2056      
1 1 1 24 1  10 o 0 2.42908  0.458931  0.00674304    -0.033369    4.89004e-005  -0.000144328  79.5362  -103.851      51.8155  -102.494     18.9097  72.4312       
1 1 1 24 1  11 o 0 5.7316   0.279263  0.317524      -0.297452    0.00589702    -0.00438867   229.368  38.8349       325.501  34.2421      77.6449  19.2206       
1 1 1 24 1  12 < 0 0        1.50822   0.0581988     0.0216219    0.000268225   -5.14223e-005 ?        ?             27.5612  -62.1083     ?        ?             
1 1 1 24 1  13 f 1 2.20502  0.5555    -0.381705     0.349444     0.0023829     -0.00375875   77.5362  54.3221       96.3017  75.9299      37.0433  127.527       
1 1 1 24 2  0  o 0 3.88587  0.253169  -0.0315088    3.85858e-018 0             0             34.6994  -180          22.225   -180         10.6188  2.06594e-014  
1 1 1 24 2  1  o 0 10.5662  0.410368  3.88339       -6.92155     0.85103       2.10804       280.44   -56.867       540.651  -66.6781     281.579  -75.9649      
1 1 1 24 2  2  o 0 2.49379  0.718966  -3.03181      -0.479645    -0.348091     -0.0947771    182.822  153.367       82.0587  -99.6477     213.24   -48.227       
1 1 1 24 2  3  o 0 11.2184  0.618344  7.86162       11.0256      0.501389      -2.19737      528.387  78.2851       418.783  61.6538      158.344  -52.5174      
1 1 1 24 2  4  o 0 15.3216  0.243951  3.88721       -3.07342     -1.51046      1.86396       491.678  -96.2875      791.824  -90.1184     327.906  -81.2471      
1 1 1 24 2  5  o 0 7.58361  0.312009  -0.584964     -0.185114    -0.0152341    -0.035591     268.635  -125.407      288.45   -135.43      56.7209  172.339       
1 1 1 24 2  6  o 0 3.85688  0.433027  -0.099612     -0.563637    0.0219203     -0.00181903   240.981  -68.7149      70.6707  -84.1937     158.847  118.104       
1 1 1 24 2  7  o 0 2.98328  0.315811  0.35917       0.0270678    0.0223661     0.14778       107.612  43.0515       71.6066  25.4984      39.2196  -103.538      
1 1 1 24 2  8  o 0 2.29651  0.548258  -0.511993     0.0436857    -0.0321853    -0.0151689    135.374  -154.214      19.1359  119.061      127.478  34.4052       
1 1 1 24 2  9  o 0 3.71056  0.285087  0.0220639     -0.145653    -0.0061905    -0.00174172   68.8429  -40.8838      164.531  -44.87       102.651  -47.2812      
1 1 1 24 2  10 o 0 2.66442  0.4087    -0.463113     -0.28834     -0.00413934   0.0451383     53.402   107.494       68.92    157.825      53.2013  -158.196      
1 1 1 24 2  11 o 0 1.82006  0.866241  0.0637358     -0.105552    -0.000208651  0.000535315   96.7212  151.669       9.07395  -63.8167     115.191  -30.9515      
1 1 1 24 2  12 f 1 1.02658  0.758864  0.167975      -0.15389     0.00302332    6.33592e-005  23.6237  -126.145      13.3528  -11.0389     33.0261  32.3792       
1 1 1 24 3  0  o 0 15.7226  0.123058  -0.068336     8.36847e-018 0             0             677.933  180           643.347  180          13.7292  -180          
1 1 1 24 3  1  o 0 7.49028  0.108921  0.0697344     -0.0314186   0.0387461     -0.044123     289.751  -157.996      243.785  -158.563     27.2867  27.075        
1 1 1 24 3  2  o 0 11.9974  0.286105  -6.86769      2.92017      -3.33399      1.96752       560.59   95.5487       448.347  104.371      108.407  -123.818      
1 1 1 24 3  3  o 0 10.0123  0.631217  -2.50132      -16.5532     2.95525       -1.25258      596.137  -112.664      255.515  -89.2048     343.692  50.1217       
1 1 1 24 3  4  o 0 9.83517  0.332796  -1.38054      0.0206371    -0.163839     -0.0771294    479.332  162.711       317.108  164.868      138.053  -22.25        
1 1 1 24 3  5  o 0 0.158626 0.432747  0.396725      0.22337      -0.0180524    -0.0476587    127.922  -53.7835      117.894  124.785      236.675  125.504       
1 1 1 24 3  6  o 0 8.17258  0.168574  0.0328116     0.229335     0.0158455     0.010694      292.536  -8.83802      401.24   -6.34503     129.066  -1.06644      
1 1 1 24 3  7  o 0 5.54061  0.184056  -0.538073     0.37484      0.107071      0.0880117     235.201  146.12        221.01   149.791      14.1507  -124.211      
1 1 1 24 3  8  o 0 1.42425  0.655419  0.102322      0.332877     0.0519034     0.0256305     66.8183  13.2415       33.0071  161.566      92.5924  -177.547      
1 1 1 24 3  9  o 0 2.71639  0.384225  0.0518039     0.0201555    0.000111047   0.000736683   59.0187  152.701       65.0672  148.936      12.1593  132.13        
1 1 1 24 3  10 o 0 2.82235  0.40454   -0.147672     -0.022804    -3.37601e-005 0.00239197    112.775  -114.273      86.0743  -120.79      19.4153  95.934        
1 1 1 24 3  11 o 0 2.20943  0.775322  0.515896      0.179685     -0.0124709    0.0152206     44.0951  35.7528       116.589  29.7655      68.3141  25.4986       
1 1 1 24 3  12 o 0 2.10783  0.842806  0.437703      0.676096     -0.0211768    -0.0034581    47.1989  -170.419      69.7613  129.334      62.9556  83.7403       
1 1 1 24 4  0  o 0 1.92354  0.41842   -0.00241314   2.95515e-019 0             0             59.3811  1.34377e-013  6.75978  0            47.317   -180          
1 1 1 24 4  1  o 0 11.7516  0.308833  2.26855       5.54546      0.894925      -1.39107      515.175  38.6146       434.209  48.56        87.8725  160.029       
1 1 1 24 4  2  o 0 9.64127  0.334292  8.19497       0.795065     -3.0329       -1.25204      526.659  8.81367       250.408  -17.0482     284.112  -148.576      
1 1 1 24 4  3  o 0 11.5561  0.394749  1.03635       3.07495      0.2778        -0.507039     523.441  109.253       424.88   99.4047      100.377  -24.3596      
1 1 1 24 4  4  o 0 10.2084  0.105878  -0.524736     -0.427913    -0.220361     -0.0312441    333.566  145.668       533.92   147.338      229.056  149.562       
1 1 1 24 4  5  o 0 1.27125  0.622289  -0.899197     -0.85525     0.0139107     -0.171299     115.687  72.57         131.349  -121.01      236.278  -114.93       
1 1 1 24 4  6  o 0 2.11132  0.392197  -0.0680136    0.0648996    -0.00969489   -0.00301737   34.896   170.062       5.1423   101.011      30.9195  -1.00237      
1 1 1 24 4  7  o 0 3.97655  0.479022  0.312137      0.684936     0.0242263     -0.0123483    100.789  4.68216       161.779  32.0241      89.2839  61.011        
1 1 1 24 4  8  o 0 2.27791  0.380491  -0.136844     0.0647078    -0.00549931   -0.0140673    135.678  138.504       12.2799  -55.6667     139.589  -42.73        
1 1 1 24 4  9  o 0 2.15314  0.45261   -0.0788415    -0.295187    -0.0179186    -0.0129174    99.2976  -62.2976      38.7408  -84.4711     56.4274  132.72        
1 1 1 24 4  10 o 0 1.51616  0.605848  -0.0392919    -0.530868    -0.0190284    0.0338149     109.187  -140.777      33.1906  -11.1003     147.881  29.2758       
1 1 1 24 4  11 o 0 1.27141  0.633324  -0.247391     -0.0869242   0.00469413    0.00509832    55.6717  -171.521      12.8942  -157.865     49.7653  4.97214       
1 1 1 24 4  12 o 0 2.9965   0.410264  0.409238      -0.430998    0.00512951    -0.00521238   71.6666  -165.671      184.332  -150.601     109.179  -139.634      
1 1 1 24 5  0  o 0 14.903   0.129712  -0.324065     3.96852e-017 0             0             870.479  3.81696e-014  585.643  0            190.757  -180          
1 1 1 24 5  1  o 0 9.40911  0.126788  0.405556      -0.17519     -0.109067     -0.0282398    420.64   -103.524      312.498  -92.9378     92.3677  38.0446       
1 1 1 24 5  2  o 0 2.24732  0.284613  0.56439       0.213162     -0.241645     -0.0741132    162.828  42.8154       65.0621  -129.464     212.994  -134.833      
1 1 1 24 5  3  o 0 9.73181  0.172818  -1.24086      -3.04181     0.0773601     -2.43164      413.573  -69.1014      427.02   -63.736      67.5497  -32.8655      
1 1 1 24 5  4  o 0 2.76525  0.196369  -0.290037     0.0860843    -0.238996     -0.122273     226.723  113.515       14.7032  -95.3878     217.996  -68.3534      
1 1 1 24 5  5  o 0 4.64177  0.305083  -0.36576      -0.563989    0.000925856   -0.056765     146.477  -122.257      195.89   -121.671     62.2432  -120.414      
1 1 1 24 5  6  o 0 4.94958  0.212491  0.781427      -1.06161     -0.271481     0.314903      183.725  11.153        199.339  -7.25706     66.0182  -61.3235      
1 1 1 24 5  7  o 0 2.12026  0.470672  -0.594312     -0.313122    -0.00312538   -0.0723866    117.656  153.815       36.4028  -109.515     119.276  -43.8307      
1 1 1 24 5  8  o 0 0.961816 0.569346  0.13796       -0.032195    0.00893619    0.0053188     67.2427  160.746       46.7283  -18.5701     107.465  -18.9565      
1 1 1 24 5  9  o 0 6.27964  0.195244  0.266         0.491021     -0.0208365    0.00209432    237.331  107.187       313.427  103.619      98.5989  95.7759       
1 1 1 24 5  10 f 1 2.07475  0.511056  0.029016      0.1755       -0.000182228  0.0026483     61.8423  -16.3391      31.3333  19.8614      48.1248  141.046       
1 1 1 24 5  11 o 0 3.10019  0.408477  0.169812      0.290204     -0.00205538   0.00558983    118.903  -129.917      173.875  -131.044     40.0759  -134.815      
1 1 1 24 5  12 o 0 1.02856  0.679852  0.033784      0.474199     -0.00651407   0.00297684    23.5178  -14.9574      28.8797  100.888      46.9778  131.451       
1 1 1 24 6  0  o 0 2.54951  0.402072  0.0337619     0            0             0             58.6234  -180          8.23863  -180         42.8877  3.68827e-013  
1 1 1 24 6  1  o 0 8.7016   0.299023  1.2198        3.36835      0.525315      -1.09833      262.315  -0.366041     445.122  9.98932      226.296  20.3399       
1 1 1 24 6  2  o 0 8.18172  0.154281  -0.855121     -0.786002    -0.288413     -0.261878     315.889  -67.0446      364.639  -76.2077     102.381  -101.598      
1 1 1 24 6  3  o 0 5.82869  0.13273   0.440263      0.878328     -0.211653     -0.689858     216.138  120.143       258.058  113.111      72.6314  94.3586       
1 1 1 24 6  4  o 0 0.859782 0.450085  -0.164705     0.37384      0.0315001     0.0530986     89.1033  -87.5624      81.7514  96.1793      161.154  94.3347       
1 1 1 24 6  5  o 0 10.1372  0.159391  -0.0362104    0.079981     0.00032653    -0.000501566  410.132  2.4078        457.241  2.89351      87.3078  4.95231       
1 1 1 24 6  6  o 0 5.82096  0.23029   0.225195      -0.298888    0.0225289     0.00834097    182.343  37.5657       269.823  29.2021      107.926  16.2413       
1 1 1 24 6  7  o 0 4.12004  0.327684  -0.337356     -1.06801     0.0293367     -0.101142     142.456  -142.31       164.645  -123.546     58.2888  -76.9966      
1 1 1 24 6  8  o 0 4.20708  0.317189  0.99653       1.28213      -0.19875      -0.0900929    149.637  68.2994       202.057  66.26        67.7983  62.2112       
1 1 1 24 6  9  o 0 2.34267  1.10129   -0.338814     -0.364815    -0.00652314   -0.0117193    155.305  -35.7222      35.1031  -95.3013     127.044  158.062       
1 1 1 24 6  10 o 0 3.00976  0.490385  -0.119734     -0.55811     0.0033109     0.0151563     89.4321  -59.1356      191.362  -67.3442     93.1614  -76.1899      
1 1 1 24 6  11 o 0 1.55628  0.593947  -0.1209       -0.421743    -0.0103945    0.00235911    50.6016  2.73633       36.2826  -59.0481     51.2813  -138.695      
1 1 1 24 7  0  o 0 16.6613  0.133962  0.131078      0            0             0             653.828  -3.99532e-015 644.288  0            101.788  2.12938e-014  
1 1 1 24 7  1  o 0 8.45022  0.123131  -0.469899     -0.419345    -0.441569     0.16347       221.245  -128.335      441.473  -123.501     256.027  -119.981      
1 1 1 24 7  2  o 0 17.5467  0.209726  -1.21425      0.122359     -0.101253     -0.202798     550.96   147.878       910.917  148.287      439.615  148.727       
1 1 1 24 7  3  o 0 5.9671   0.141029  0.441297      -0.680583    0.536802      0.0163548     99.8279  -132.421      277.952  -125.291     192.387  -122.09       
1 1 1 24 7  4  o 0 6.30565  0.199186  -0.440373     0.822179     0.113893      0.0431961     303.334  -91.7172      212.107  -102.086     69.2049  121.762       
1 1 1 24 7  5  f 1 2.42838  0.376146  0.125792      0.0127084    -0.00221409   -0.00193548   116.119  -177.216      10.3328  6.47374      112.054  3.12394       
1 1 1 24 7  6  o 0 5.00372  0.233838  0.697871      -1.19901     -0.815671     0.172111      233.776  -73.9894      184.609  -82.9992     40.5883  151.432       
1 1 1 24 7  7  o 0 1.90698  0.441597  -0.328525     0.126337     0.0291822     -0.0604688    36.4737  123.023       33.7165  152.551      16.8428  -137.581      
1 1 1 24 7  8  o 0 4.17516  0.263655  0.598232      0.0916488    0.0292129     -0.0279293    138.759  -75.2804      194.855  -61.2171     80.6181  -39.3137      
1 1 1 24 7  9  o 0 2.44799  0.423914  -0.350103     0.465967     -0.0307558    -0.0292264    138.288  94.9645       65.4313  116.133      97.9134  -98.9993      
1 1 1 24 7  10 o 0 1.14064  0.683014  -0.0290593    0.0673071    -0.000304261  4.103e-005    25.5062  -18.0868      6.89902  132.274      34.7076  156.272       
1 1 1 24 7  11 o 0 1.44914  0.627753  -0.152385     0.0710782    0.000139199   -0.00120153   52.1536  -166.544      25.2157  176.649      35.6623  25.2536       
1 1 1 24 8  0  o 0 4.95984  0.267451  0.0661397     0            0             0             102.816  -2.13434e-013 150.832  0            67.8028  2.61365e-013  
1 1 1 24 8  1  o 0 6.46901  0.221432  -0.173362     -1.29474     0.324675      0.0953764     351.269  179.567       190.351  -160.711     127.241  -30.7549      
1 1 1 24 8  2  o 0 3.48906  0.231872  -0.325908     0.172248     0.0607013     0.0931233     108.06   -164.327      97.369   -176.141     20.5338  119.537       
1 1 1 24 8  3  o 0 6.19229  0.187487  1.30199       1.1636       -0.384093     -0.339222     95.748   -6.07255      316.099  14.7302      241.81   21.5898       
1 1 1 24 8  4  o 0 8.87976  0.113695  0.157793      0.606191     -0.233715     0.0799792     300.527  -154.185      419.011  -154.873     159.996  -155.986      
1 1 1 24 8  5  o 0 3.51417  0.293557  0.693401      -0.445184    -0.0926737    0.037927      61.3545  -122.14       117.557  -64.1283     100.076  -37.0643      
1 1 1 24 8  6  o 0 5.79772  0.216154  1.11912       0.978393     -0.230864     0.115325      233.323  89.6697       262.178  78.5358      76.8279  48.4486       
1 1 1 24 8  7  o 0 3.06402  0.465999  -0.923717     -1.25242     -0.109753     -0.138618     117.216  -105.118      122.456  -113.497     26.3427  -147.76       
1 1 1 24 8  8  o 0 1.47304  0.679799  -0.35829      0.215557     -0.0282849    -0.0192391    192.432  119.394       73.9707  -66.2853     243.444  -62.3291      
1 1 1 24 8  9  o 0 2.38757  0.475478  0.347485      -0.390193    0.023476      -0.00399591   39.1211  -16.953       129.303  -28.0532     87.658   -33.4516      
1 1 1 24 8  10 o 0 2.12114  0.514195  -0.54767      -0.238745    -0.00599432   0.0186632     96.5878  -23.0548      74.8997  -47.094      49.5046  -165.006      
1 1 1 24 8  11 < 0 0        1.50092   0.0206252     -0.267924    -0.00447794   0.00242382    ?        ?             47.2829  93.5604      ?        ?             
1 1 1 24 9  0  o 0 6.92098  0.210248  0.299886      0            0             0             265.702  9.15504e-015  252.648  0            44.4175  -4.29191e-014 
1 1 1 24 9  1  o 0 5.13717  0.187621  0.162971      -0.0519384   0.0176767     0.0133643     194.91   -16.0421      179.434  -15.466      23.499   -11.6388      
1 1 1 24 9  2  o 0 3.67138  0.243429  0.028657      -0.065949    -0.0108154    -0.00391945   172.227  -31.8202      78.0575  -35.0021     62.6479  152.145       
1 1 1 24 9  3  o 0 6.85179  0.229912  0.783677      -2.23323     0.564469      -0.0106989    336.622  -56.6974      226.526  -52.8252     55.4113  107.276       
1 1 1 24 9  4  o 0 1.98514  0.353048  0.580762      -0.110413    -0.0951132    -0.0273331    35.1928  -97.1053      42.516   -2.45425     53.7928  30.9177       
1 1 1 24 9  5  o 0 4.23912  0.21982   0.296722      0.608592     -0.0701242    -0.0454799    177.687  117.159       140.426  98.6944      48.4456  3.80245       
1 1 1 24 9  6  o 0 2.12132  0.441514  -0.076382     -0.372154    -0.060601     0.0227998     186.634  -114.074      13.399   44.1665      169.16   64.2429       
1 1 1 24 9  7  < 0 0        1.22406   -0.151956     0.166095     -0.0101196    -0.0349906    ?        ?             96.0432  131.583      ?        ?             
1 1 1 24 9  8  f 1 2.78674  0.317051  0.157455      -0.489138    -0.00382505   -0.0334966    49.4164  -145.64       106.689  -110.47      70.4463  -84.9086      
1 1 1 24 9  9  o 0 2.37862  1.05192   0.90779       0.239975     -0.0383579    0.00196153    26.7674  51.6803       137.695  30.0654      111.313  24.5721       
1 1 1 24 9  10 o 0 2.19249  0.547494  0.131817      0.111532     0.0011465     0.000159569   47.4991  47.561        98.0526  46.3397      45.8387  44.9477       
1 1 1 24 10 0  o 0 2.25832  0.468064  -0.0214386    2.62539e-018 0             0             87.6559  -1.77256e-013 29.5048  0            36.9496  180           
1 1 1 24 10 1  o 0 5.26918  0.189682  -0.348057     0.859873     0.205797      -0.0313604    253.98   83.9082       150.402  93.5574      54.9351  -123.408      
1 1 1 24 10 2  o 0 2.32709  0.345627  -0.125327     0.247073     0.0678737     -0.0806189    100.589  -144.205      26.4302  105.507      92.2491  51.3838       
1 1 1 24 10 3  o 0 5.64867  0.162884  -0.39954      -0.411356    -0.0399657    0.277447      101.18   -51.0731      236.565  -75.6454     165.772  -87.4737      
1 1 1 24 10 4  o 0 0.428066 0.540036  0.180638      0.0719167    -0.0150664    0.0454617     57.5628  -168.993      48.8325  11.7413      96.1825  11.3798       
1 1 1 24 10 5  o 0 1.52015  0.471085  -0.110454     -0.0606632   -0.00130591   0.00879445    43.9423  -46.2795      11.3743  172.226      44.8829  142.798       
1 1 1 24 10 6  o 0 2.29344  0.387592  -0.276622     0.465655     -0.0713665    0.0094929     53.6552  59.2273       61.1214  97.702       38.2176  143.517       
1 1 1 24 10 7  o 0 3.00019  0.295167  0.119729      -0.573207    -0.0576201    -0.0103168    57.5836  97.1095       33.9583  87.8139      15.6418  -62.3617      
1 1 1 24 10 8  o 0 0.5051   0.605858  -0.22624      0.0615123    0.000921661   -0.0147097    87.7094  133.214       71.4666  -49.1432     162.798  -47.8203      
1 1 1 24 10 9  < 0 0        1.21861   0.096677      0.0556355    0.00148458    0.000465138   ?        ?             19.0659  -111.154     ?        ?             
1 1 1 24 10 10 o 0 1.95587  0.820761  -0.429779     -0.36117     -0.0140947    0.00374477    71.5408  -72.5322      81.2631  -98.739      36.1743  -169.76       
1 1 1 24 11 0  o 0 6.04979  0.245999  0.298854      0            0             0             319.325  180           205.816  180          27.5674  -5.63866e-014 
1 1 1 24 11 1  o 0 5.88406  0.168083  -0.0296699    0.300453     -0.048639     0.0536257     113.413  -126.418      235.535  -131.378     151.007  -134.168      
1 1 1 24 11 2  o 0 6.90948  0.156373  -0.544421     -0.0639317   -0.0292564    0.0717997     236.179  47.5367       274.084  53.2346      95.5469  64.0838       
1 1 1 24 11 3  o 0 4.06312  0.216159  0.398332      -0.307869    0.0528802     -0.092425     165.073  132.114       138.243  132.059      13.8364  131.562       
1 1 1 24 11 4  o 0 4.63851  0.202544  -0.249487     -0.486435    -0.066503     0.0220151     250.48   -70.4217      134.064  -78.0484     62.3118  126.17        
1 1 1 24 11 5  o 0 3.13059  0.293267  0.265644      0.538687     -0.0767244    0.0698872     83.1804  15.235        116.26   36.1018      59.9939  58.8859       
1 1 1 24 11 6  o 0 4.60115  0.291795  -0.9744       -0.745851    -0.09197      0.0719891     141.69   -161.279      212.491  -152.906     101.736  -143.573      
1 1 1 24 11 7  o 0 2.49186  0.851789  -3.53229e-005 0.0763017    9.49918e-005  -0.000306351  154.118  115.3         40.4747  112.198      116.516  -63.6232      
1 1 1 24 11 8  o 0 2.27816  0.655677  0.114676      0.225885     0.00408144    0.00114365    46.5677  116.833       98.3424  106.453      52.4442  97.0862       
1 1 1 24 11 9  o 0 2.8634   0.449568  0.172142      0.195004     -0.00340518   0.00040114    64.3204  -99.2408      154.89   -94.4728     88.5001  -90.8759      
1 1 1 24 12 0  o 0 1.04881  0.710519  0.0613611     0            0             0             33.5502  180           2.35328  180          20.3096  -6.35758e-014 
1 1 1 24 12 1  o 0 3.60457  0.599261  0.237926      -0.767935    0.0133579     0.0333476     234.763  36.1395       63.3219  10.3462      109.509  -129.288      
1 1 1 24 12 2  o 0 8.22522  0.147076  -0.785693     0.411331     0.0227795     -0.0845225    391.838  134.033       276.765  135.54       7.59542  -119.266      
1 1 1 24 12 3  o 0 3.75974  0.255887  -0.465417     -0.113523    0.0419407     -0.0283602    182.2    141.851       107.855  151.801      32.3253  -73.3568      
1 1 1 24 12 4  o 0 3.57343  0.27939   1.30563       0.263852     -0.132401     0.183191      99.9173  108.153       152.084  63.0903      112.629  35.2416       
1 1 1 24 12 5  o 0 3.44166  0.249449  -0.0621226    0.0960133    -0.00151074   -0.00372756   164.525  -157.15       95.6497  -160.761     30.1255  34.3845       
1 1 1 24 12 6  f 1 0.30751  0.566454  0.0973112     0.198463     0.00775891    0.00914243    58.0046  165.304       54.1654  -11.4238     109.413  -13.0769      
1 1 1 24 12 7  o 0 4.76866  0.23103   0.19594       -0.95193     -0.0518418    0.00406036    123.623  173.966       308.245  -176.842     191.085  -171.101      
1 1 1 24 12 8  o 0 1.96153  0.414249  -0.103463     0.0218294    0.000201214   -0.00155304   94.0496  -147.157      57.4631  -151.369     35.9288  39.589        
1 1 1 24 12 9  o 0 0.520323 0.613493  0.0808827     0.284686     -0.00774053   0.00283383    34.6686  80.9311       21.2288  -96.7051     56.2476  -98.177       
1 1 1 24 13 0  o 0 3.80789  0.325491  0.299446      0            0             0             154.291  5.33253e-014  117.53   0            17.7958  -2.98854e-013 
1 1 1 24 13 1  o 0 3.44383  0.283131  0.372353      -0.206238    0.0418084     0.00665229    169.844  169.836       79.0307  175.537      35.3048  -23.0122      
1 1 1 24 13 2  o 0 5.13938  0.276809  0.733334      -1.51281     -0.200371     0.187848      165.239  -93.5904      206.827  -87.7275     95.179   -80.7656      
1 1 1 24 13 3  o 0 1.85751  0.409284  0.139834      0.0365575    0.00956638    0.00635019    82.9429  -32.574       9.89851  4.84906      50.5846  140.597       
1 1 1 24 13 4  o 0 3.81091  0.261493  -0.210702     -0.437185    0.00927174    0.0233626     175.206  17.114        109.271  8.25138      24.3401  -119.125      
1 1 1 24 13 5  o 0 2.70424  0.315553  0.0170777     0.0892139    0.00011602    -0.000616665  80.6985  51.5107       79.6622  54.2602      6.93271  84.9612       
1 1 1 24 13 6  o 0 6.2402   0.191112  -0.821391     -0.569606    -0.00504494   0.0474648     170.573  120.716       389.926  125.833      234.879  129.23        
1 1 1 24 13 7  f 1 3.60717  0.297531  -0.139705     -0.345903    -0.00914979   0.0026473     41.1399  -164.867      210.191  -155.912     172.865  -153.956      
1 1 1 24 13 8  o 0 1.8089   0.459679  0.161274      -0.116701    -0.00225019   -0.0026106    36.8748  69.4495       37.0873  45.9124      14.8636  -25.3934      
1 1 1 24 14 0  o 0 8.12404  0.198206  -0.0741973    9.08625e-018 0             0             375.107  180           242.47   180          11.33    -180          
1 1 1 24 14 1  f 1 2.28104  0.78237   -0.345479     -0.281565    -0.0110984    -0.0108789    38.65    -13.6628      24.4228  -100.735     33.4885  -146.916      
1 1 1 24 14 2  o 0 6.3524   0.179764  -0.473792     0.703992     0.0102413     -0.0430742    268.886  149.693       211.502  146.669      37.1385  132.209       
1 1 1 24 14 3  < 0 0        1.20416   -0.0938459    0.0281386    0.00211147    -0.00319131   ?        ?             82.1909  46.6691      ?        ?             
1 1 1 24 14 4  o 0 7.64723  0.197001  0.746924      1.61773      -0.0111439    0.121445      259.753  63.7661       393.425  63.3731      170.653  62.86         
1 1 1 24 14 5  o 0 0.648964 0.599601  -0.042714     -0.0227771   0.000194446   -0.000391486  26.2175  -59.8322      16.0433  124.9        38.5452  122.136       
1 1 1 24 14 6  o 0 2.81022  0.364087  0.0544828     0.56192      -0.00958813   0.0206121     140.197  -151.232      97.6628  -161.951     32.7907  62.4075       
1 1 1 24 14 7  o 0 0.703479 0.642327  0.0172467     0.0145048    6.37629e-005  0.000166126   125.11   -23.169       79.3579  156.446      191.854  156.672       
1 1 1 24 15 0  o 0 3.72827  0.364839  0.319767      0            0             0             315.033  -1.6237e-015  131.86   0            98.2173  180           
1 1 1 24 15 1  o 0 2.14476  0.415719  0.249203      0.26733      -0.011414     0.0351977     99.2327  -166.264      14.4556  139.582      67.4405  23.7422       
1 1 1 24 15 2  o 0 4.54576  0.227086  0.185696      -0.522325    -0.0248502    -0.00985711   145.674  -163.616      192.354  -153.016     83.706   -138.61       
1 1 1 24 15 3  o 0 3.02783  0.375305  0.139053      -0.154147    -0.00408496   0.000408382   126.951  -32.3418      112.995  -33.5095     13.91    -41.8703      
1 1 1 24 15 4  o 0 2.24928  1.01567   0.645046      -0.306967    -0.0313919    0.00182802    82.6837  69.1728       77.6581  41.7784      35.8299  -16.5789      
1 1 1 24 15 5  o 0 1.96588  0.900537  -0.0511383    -0.0929358   -0.00049442   -0.000885146  102.082  -52.7482      44.2698  -58.3362     40.0118  133.437       
1 1 1 24 15 6  o 0 3.20935  0.533177  -0.251397     0.495124     0.00957516    -0.00733586   64.7746  60.262        167.078  71.0022      114.032  76.1076       
1 1 1 24 15 7  < 0 0        1.28714   -0.0159363    -0.0305859   -0.000160268  0.000281957   ?        ?             42.863   110.156      ?        ?             
1 1 1 24 16 0  o 0 0        1.84391   -0.0989219    1.2114e-017  0             0             24.2734  -180          0        0            16.4217  5.87218e-014  
1 1 1 24 16 1  o 0 3.20936  0.308103  0.0284114     -0.312891    -0.016059     -0.00283074   203.289  -101.339      68.0324  -99.4105     74.3361  76.8955       
1 1 1 24 16 2  o 0 3.7212   0.528606  -1.42225      0.177407     -0.0398852    -0.0958882    174.783  -117.584      127.199  -131.875     31.5307  147.143       
1 1 1 24 16 3  o 0 2.92147  0.328322  -0.399465     -0.103608    0.00813912    0.014481      96.368   104.732       114.091  114.178      45.0747  129.277       
1 1 1 24 16 4  o 0 3.30414  0.313213  0.331681      0.0611755    0.00561253    -0.00605815   154.272  57.076        114.23   53.1689      8.57499  -57.7321      
1 1 1 24 16 5  o 0 4.88752  0.285234  0.430033      0.527196     -0.0169517    0.00832278    246.397  43.33         174.43   44.1473      18.2207  -144.518      
1 1 1 24 16 6  o 0 0.804784 0.66481   0.0704908     0.0659549    0.00073902    4.0894e-005   42.0885  -115.175      21.5243  61.8596      55.1737  63.6685       
1 1 1 24 17 0  o 0 3.88587  0.41619   0.479247      0            0             0             226.958  -2.56704e-015 122.566  0            22.1535  180           
1 1 1 24 17 1  f 1 1.84309  0.85192   0.473731      -0.0044123   -0.00375839   0.0217865     35.5713  35.5792       44.1626  17.7996      23.2309  0.0940186     
1 1 1 24 17 2  o 0 2.99404  0.489648  0.0165718     -0.458538    -0.000686414  -0.0101442    161.365  -178.163      77.095   -169.151     35.9728  -17.7772      
1 1 1 24 17 3  o 0 0.188489 0.492781  -0.0732294    -0.0743487   -0.00214068   0.000696758   19.4001  -173.279      12.7565  4.80315      26.3707  5.79339       
1 1 1 24 17 4  o 0 2.93254  0.340792  -0.181465     -0.204198    0.00105397    0.00358616    183.266  33.602        62.2683  31.9236      69.9282  -144.904      
1 1 1 24 17 5  o 0 2.05747  0.69055   0.198329      0.255348     0.00564504    0.00185532    84.3317  -30.1615      54.2773  -14.1816     18.0818  94.1092       
1 1 1 24 18 0  o 0 0        1.84391   -0.113068     1.38464e-017 0             0             58.4043  3.1231e-015   0        0            34.9759  -180          
1 1 1 24 18 1  o 0 1.07137  0.580697  0.109636      -0.147827    0.00113114    -0.0055534    100.834  -54.5574      20.1345  125.034      82.7456  125.343       
1 1 1 24 18 2  o 0 4.12048  0.314735  -0.261782     0.347625     0.00520531    -0.00370882   142.124  -57.4832      153.09   -57.7581     61.9088  -58.1629      
1 1 1 24 18 3  o 0 3.71663  0.285769  -0.503355     0.104492     0.0119183     -0.00291575   153.298  -28.7053      125.127  -30.5664     24.0814  -38.4202      
1 1 1 25 0  0  o 0 6.5192   0.236679  0.276247      0            0             0             394.75   1.34199e-013  233.383  0            139.66   -180          
1 1 1 25 0  1  o 0 0        1.3784    -0.00445914   -0.00772345  0             0             64.6925  -120          0        0            61.3492  60            
1 1 1 25 0  2  o 0 0.316228 0.575079  0.00514172    -0.00890572  0             0             113.429  -60           0.510328 -60          107.131  120           
1 1 1 25 0  3  o 0 26.5631  0.142291  -0.653136     7.99834e-017 0             0             937.211  180           1109.62  180          221.031  -180          
1 1 1 25 0  4  o 0 4.83735  0.1503    -0.0222664    -0.0385665   0             0             286.945  -120          164.346  -120         107.235  60            
1 1 1 25 0  5  o 0 2.12132  0.575502  -0.0481683    0.0834299    0             0             10.4944  120           10.0104  120          0.101152 120           
1 1 1 25 0  6  o 0 3.06594  0.487032  0.0296202     0            0             0             196.356  -180          109.967  -180         70.2585  3.09117e-015  
1 1 1 25 0  7  o 0 3.755    0.306781  0.0486658     0.0842917    0             0             164.029  -120          132.2    -120         17.7154  60            
1 1 1 25 0  8  f 1 5.26308  0.330137  0.0220827     -0.0382483   0             0             212.822  120           217.823  120          27.427   120           
1 1 1 25 0  9  f 1 1.22474  0.755704  0.0856114     0            0             0             44.8479  -7.61953e-015 14.2941  0            23.9851  180           
1 1 1 25 0  10 o 0 0.948683 0.867907  0.0617716     0.106992     0             0             12.7361  -120          3.09889  60           14.0093  60            
1 1 1 25 0  11 o 0 3.27109  0.554842  -0.00541833   0.00938483   0             0             155.786  -60           159.069  -60          4.91046  120           
1 1 1 25 0  12 o 0 0        2.30217   -0.116184     1.4228e-017  0             0             109.906  -180          0        0            111.006  1.7218e-015   
1 1 1 25 1  0  o 0 10.2518  0.130024  -0.277731     3.40112e-017 0             0             410.995  -180          418.862  -180         37.1672  180           
1 1 1 25 1  1  o 0 4.97616  0.137474  0.682131      -0.447569    0.111094      0.799338      314.1    94.0099       176.602  -4.85587     364.98   -57.4296      
1 1 1 25 1  2  o 0 19.0853  0.407905  -3.69776      -10.9872     4.51444       -1.63117      812.288  -159.559      795.134  -156.956     49.15    -112.278      
1 1 1 25 1  3  o 0 5.57379  0.221392  0.285428      1.81773      0.452117      -0.0415155    281.95   71.2847       121.275  71.8452      143.329  -109.19       
1 1 1 25 1  4  o 0 1.88861  0.53156   0.0302163     1.71008      0.273746      0.0153023     143.867  -23.6193      167.047  123.996      290.352  138.433       
1 1 1 25 1  5  f 1 4.85419  0.603142  3.22616       -1.38441     -0.281958     0.211132      194.017  -41.9252      207.47   -29.9385     51.2834  15.2357       
1 1 1 25 1  6  o 0 2.83571  0.273091  0.241277      0.657808     0.0807098     -0.0292169    41.6241  98.2451       80.869   73.8129      48.7503  54.9212       
1 1 1 25 1  7  o 0 6.49888  0.173329  0.462877      -1.48411     -0.0810397    0.499242      255.985  -5.92259      279.471  -16.4335     64.9573  -57.6296      
1 1 1 25 1  8  o 0 3.52569  0.282893  -0.0810022    -0.651536    0.0632305     0.0722218     32.6435  174.584       101.433  -121.101     92.4949  -104.198      
1 1 1 25 1  9  o 0 4.4772   0.721571  -0.891395     0.139474     -0.0205324    -0.00539996   187.126  -52.064       182.261  -64.6081     41.9949  -122.56       
1 1 1 25 1  10 o 0 6.10443  0.229344  0.576044      0.157527     0.0198758     -0.01133      159.714  -41.9663      340.651  -36.3087     202.913  -32.4399      
1 1 1 25 1  11 o 0 1.91583  0.540495  -0.238231     0.0764278    0.00493384    0.00210265    154.343  -172.495      13.325   169.203      149.664  9.10729       
1 1 1 25 1  12 o 0 2.42983  0.655087  -0.141508     -0.617764    -0.00727924   -0.00836381   104.434  -38.7223      108.496  -55.7339     32.0456  -136.611      
1 1 1 25 2  0  o 0 28.0482  0.143657  1.47977       0            0             0             1084.75  -3.61156e-015 1127.76  0            137.814  2.59424e-014  
1 1 1 25 2  1  o 0 9.72596  0.359386  5.67935       -1.75859     -1.41026      0.620466      487.225  14.8727       301.307  -1.89283     181.75   -136.559      
1 1 1 25 2  2  o 0 7.60439  0.159424  -0.817117     -0.533815    -0.115818     -0.128232     313.239  45.3476       199.915  63.367       117.206  -166.498      
1 1 1 25 2  3  f 1 9.90292  0.0969795 -0.163734     0.0110905    0.0307572     -0.0104703    298.942  146.88        446.983  149.069      174.102  152.508       
1 1 1 25 2  4  f 1 4.78757  0.280465  0.337261      0.752721     0.0323882     -0.067363     321.809  -141.812      82.7302  88.5774      353.937  48.5619       
1 1 1 25 2  5  o 0 7.95245  0.324803  -1.73879      1.65163      -0.232272     0.439431      314.599  122.178       359.475  121.229      72.7243  117.483       
1 1 1 25 2  6  o 0 6.08085  0.193277  -0.343555     1.29468      0.397945      -0.0577044    243.468  -156.827      272.259  175.789      126.652  121.788       
1 1 1 25 2  7  o 0 8.12004  0.151778  0.329448      0.646989     0.0775206     0.0346424     292.103  155.818       390.942  150.071      127.187  137.893       
1 1 1 25 2  8  f 1 2.84529  0.298281  -0.132089     -0.0184532   0.00768328    0.0144938     94.0143  -83.4019      34.3006  -109.257     56.2074  112.032       
1 1 1 25 2  9  o 0 2.58876  0.415753  0.547888      0.532638     0.0623027     -0.018447     130.276  -20.2357      73.1357  15.1862      69.8376  122.394       
1 1 1 25 2  10 o 0 8.15103  0.175373  1.06099       1.73085      -0.0405742    0.100579      235.988  95.905        466.816  88.5057      262.029  82.6413       
1 1 1 25 2  11 o 0 1.92415  0.551017  -0.0397509    0.208657     -0.000548366  -0.00252202   68.5952  -9.58537      62.5779  4.04416      19.3861  120.893       
1 1 1 25 2  12 o 0 2.74008  0.454932  -0.712604     0.0652947    0.012959      -0.00589238   66.3689  45.3842       141.101  66.9433      79.9932  85.7878       
1 1 1 25 3  0  f 1 4.69042  0.233286  -0.173705     2.1272e-017  0             0             460.742  -5.57974e-014 167.895  0            238.766  180           
1 1 1 25 3  1  o 0 16.8687  0.0874796 0.248749      0.90434      -1.31672      0.427878      694.303  81.2972       689.528  80.6921      61.3571  74.4803       
1 1 1 25 3  2  o 0 17.5565  0.116407  -0.294318     -0.426805    0.0926079     0.0793758     821.077  -151.336      632.266  -150.45      117.371  23.8874       
1 1 1 25 3  3  f 1 2.9774   0.220955  0.102572      0.203234     -0.060427     -0.138101     48.6287  22.8978       17.3872  114.998      47.8855  -178.378      
1 1 1 25 3  4  o 0 12.307   0.467455  0.557067      6.16562      1.51123       0.372327      456.781  41.5708       605.282  46.3664      198.09   56.371        
1 1 1 25 3  5  o 0 2.15401  0.936566  -0.83796      0.0720141    -0.0674285    0.0248374     107.073  157.797       24.7389  -162.046     79.7883  -33.737       
1 1 1 25 3  6  o 0 4.18746  0.223757  0.469265      -0.0229367   0.07151       0.168453      70.4791  103.907       125.719  62.8155      88.0668  34.1433       
1 1 1 25 3  7  o 0 4.82853  0.238421  -0.813748     0.274022     0.164048      0.197568      161.697  -48.3652      154.109  -64.3708     42.493   -138.607      
1 1 1 25 3  8  o 0 3.17051  0.288392  -0.155612     -0.253503    -0.0221553    -0.00205656   59.4278  -64.6586      116.647  -78.2373     66.5852  -88.9452      
1 1 1 25 3  9  f 1 4.66579  0.463188  -0.776105     -0.215046    0.00359609    -0.0288043    35.1147  106.995       212.635  145.078      189.376  150.828       
1 1 1 25 3  10 o 0 2.04265  0.522926  0.0157779     -0.0608757   -0.000397271  1.153e-005    20.8246  -157.288      13.7184  -127.765     13.0899  -8.38094      
1 1 1 25 3  11 o 0 4.08317  0.576531  0.214672      0.265385     0.00215036    0.000548262   124.525  100.734       272.969  97.7291      138.028  94.7832       
1 1 1 25 3  12 o 0 0.951539 0.731853  0.187967      -0.0897149   -0.00134451   -0.00206622   39.8563  -115.56       19.7168  33.2277      60.8202  54.7688       
1 1 1 25 4  0  o 0 1.3784   0.55803   0.06412       0            0             0             63.7189  180           0.280803 180          55.7523  -3.3699e-013  
1 1 1 25 4  1  o 0 16.669   0.173073  -1.23789      -1.63566     -0.531088     -0.468054     671.22   -100.072      678.296  -98.9158     81.7365  -90.4317      
1 1 1 25 4  2  o 0 5.09052  0.154055  0.168473      -0.186415    -0.108513     0.0443412     194.994  -43.7275      186.433  -47.8772     24.2575  -77.517       
1 1 1 25 4  3  o 0 8.37272  0.109621  -0.155956     -0.241394    -0.015322     0.160374      281.206  9.912         405.045  10.4292      156.247  11.2529       
1 1 1 25 4  4  o 0 1.64495  0.272827  -0.167442     1.46022      0.488552      -0.00169706   32.6804  159.624       57.4133  88.5704      55.3135  58.6539       
1 1 1 25 4  5  f 1 5.51721  0.181846  0.826505      -0.274574    0.34915       0.393275      373.325  0.750491      110.191  8.94776      222.425  176.7         
1 1 1 25 4  6  o 0 1.16214  0.565838  -0.21034      0.299034     0.126924      0.0107494     22.2538  5.49041       28.1342  154.492      46.6288  167.387       
1 1 1 25 4  7  o 0 2.37661  0.47299   -0.273524     0.842147     0.0308083     0.0846608     140.207  36.1398       58.816   129.092      143.92   -167.948      
1 1 1 25 4  8  o 0 6.04252  0.164482  0.660784      -0.787057    -0.0795611    -0.137308     231.76   -54.3947      291.587  -54.1938     85.8519  -53.7123      
1 1 1 25 4  9  o 0 3.14695  0.356738  -0.0598051    -0.319192    -0.00287397   0.0136476     72.986   -175.669      117.453  -159.629     57.6593  -141.415      
1 1 1 25 4  10 o 0 3.27555  0.350803  0.125078      0.405909     -0.010923     0.00633236    98.1024  141.525       166.429  126.342      66.8323  100.818       
1 1 1 25 4  11 o 0 1.48853  0.720199  -0.109733     0.0680974    0.000931076   7.42323e-005  39.0139  141.474       26.514   143.922      16.4824  -42.4654      
1 1 1 25 5  0  o 0 16.1369  0.129099  -0.285744     3.49924e-017 0             0             400.901  180           631.787  180          295.002  -180          
1 1 1 25 5  1  o 0 10.9389  0.127231  -0.11594      1.69936      0.183725      1.33294       385.573  52.5518       521.681  53.1244      193.038  54.0993       
1 1 1 25 5  2  o 0 2.86697  0.359493  -0.42922      -0.0782731   -0.0227879    -0.0157789    138.827  -179.184      43.1771  -172.935     77.0493  -2.68049      
1 1 1 25 5  3  o 0 4.82029  0.340136  -0.0539038    -1.82985     0.295408      0.064685      166.835  -120.942      202.104  -110.638     64.3269  -86.7496      
1 1 1 25 5  4  f 1 6.16357  0.681376  0.386472      -6.71098     0.702306      -0.0241726    95.4953  -14.4725      415.551  -71.5161     376.893  -82.1632      
1 1 1 25 5  5  o 0 6.64407  0.346265  -2.59905      1.73046      0.0753247     0.548281      254.836  -134.057      317.154  -166.494     174.83   149.279       
1 1 1 25 5  6  o 0 3.89605  0.265252  0.0810613     0.792438     0.0647941     0.269673      186.308  178.282       101.321  153.493      87.1135  27.4678       
1 1 1 25 5  7  o 0 1.56554  0.753894  -0.13312      0.156911     0.00162638    0.00290681    76.409   -120.046      20.7934  94.992       84.9071  68.0363       
1 1 1 25 5  8  o 0 3.7954   0.294629  -0.112722     0.191585     0.000384068   -0.0067027    155.5    26.4864       147.832  31.9979      16.9579  83.3403       
1 1 1 25 5  9  o 0 1.89661  0.855751  -0.0362022    -0.0821162   0.000495448   0.0002662     99.8435  27.4224       5.04565  -44.4207     110.108  -150.082      
1 1 1 25 5  10 o 0 2.68073  0.402095  -0.423109     -0.00510174  0.010492      -0.0055555    100.686  51.3519       136.564  60.6286      32.3179  94.2883       
1 1 1 25 5  11 f 1 2.57241  0.456677  0.589633      0.183083     0.0139682     0.00179552    72.7739  51.3873       153.038  41.3061      75.9314  30.7287       
1 1 1 25 6  0  o 0 1.51657  0.584416  0.0538674     0            0             0             105.874  180           15.758   180          71.2177  -7.97581e-014 
1 1 1 25 6  1  o 0 4.00115  0.298481  -0.564207     -2.10108     0.424467      -0.472166     87.7425  -31.4052      190.804  -74.5716     146.202  -94.6352      
1 1 1 25 6  2  f 1 4.14193  0.211676  -0.0684582    0.00878136   0.0271366     -0.00545157   127.886  5.3513        127.87   5.63322      21.0852  7.06121       
1 1 1 25 6  3  o 0 3.28513  0.240491  -0.0176751    -0.000333662 -0.000235349  -0.000401216  195.579  -157.422      37.9063  -158.19      130.205  22.8021       
1 1 1 25 6  4  o 0 1.83373  0.393711  -0.441101     1.22271      0.181667      0.0746843     102.676  176.18        60.0375  72.6492      118.79   25.6109       
1 1 1 25 6  5  o 0 3.65056  0.268228  0.5455        0.148284     -0.0756045    0.241229      138.835  -96.2392      89.7184  -74.1898     51.782   43.1864       
1 1 1 25 6  6  o 0 3.58789  0.594038  0.505627      -1.16386     0.0204129     0.0590455     143.684  -31.1329      123.005  -56.8676     56.2475  -139.412      
1 1 1 25 6  7  f 1 3.9282   0.306662  0.651417      0.226363     0.0134326     0.0836422     153.379  29.0426       166.702  27.6795      35.2233  22.578        
1 1 1 25 6  8  o 0 1.79595  0.48309   0.140342      -0.242873    -0.0162615    -0.0198415    106.781  -100.922      11.9995  -20.4573     93.0745  71.7737       
1 1 1 25 6  9  o 0 6.35458  0.203712  -0.453783     -0.458394    -0.0030337    0.0159693     197.347  -108.827      431.35   -111.451     211.51   -114.184      
1 1 1 25 6  10 f 1 4.37915  0.299118  1.0359        0.879685     0.0382475     0.0380318     117.798  164.103       314.751  151.129      191.884  142.495       
1 1 1 25 6  11 o 0 3.15658  1.39478   -0.461037     0.00107801   -0.00160571   -0.00468169   99.4286  -166.151      199.79   -168.276     88.8073  -170.935      
1 1 1 25 7  0  < 0 24.7022  0.142883  -0.509457     6.23884e-017 0             0             ?        ?             630.03   -180         ?        ?             
1 1 1 25 7  1  o 0 10.4107  0.10895   0.772551      0.211721     0.0907715     0.318434      416.854  12.403        432.018  15.0449      93.0769  24.7564       
1 1 1 25 7  2  o 0 7.17384  0.138692  0.0626015     -0.0932901   0.00349365    -0.000636643  217.192  76.1755       329.52   74.9945      149.08   73.5644       
1 1 1 25 7  3  o 0 12.2492  0.218613  -2.00063      2.17654      0.570732      0.353195      464.919  124.212       552.464  128.94       164.468  140.287       
1 1 1 25 7  4  o 0 9.39242  0.12952   0.976158      -2.00411     0.830411      -0.279961     389.958  54.1443       406.599  28.3695      179.652  -25.6388      
1 1 1 25 7  5  o 0 2.99738  1.21209   1.54708       -2.02426     0.0148307     0.179623      44.9899  -88.1646      158.194  -53.8015     127.8    -43.8439      
1 1 1 25 7  6  o 0 0.764342 0.618895  0.0169638     0.146656     -0.0063333    0.0130017     116.656  86.5441       75.5799  -93.1723     174.763  -93.3332      
1 1 1 25 7  7  o 0 3.94165  0.318499  -0.451153     -0.216355    -0.00183171   0.0403568     174.35   -131.094      148.586  -135.235     10.9834  126.569       
1 1 1 25 7  8  o 0 2.97691  0.35755   -0.809233     0.540278     0.0951722     -0.00463478   38.5114  -83.7374      91.6757  -179.958     101.075  160.641       
1 1 1 25 7  9  o 0 0.893003 0.544519  0.0199565     -0.125572    -0.00269422   -0.000186579  51.4799  83.471        31.5037  -93.6668     87.5061  -95.4989      
1 1 1 25 7  10 o 0 2.01664  0.927079  -0.237734     0.0233275    -0.000334301  0.00258017    34.976   -140.648      73.6363  -153.123     36.8679  -166.207      
1 1 1 25 8  0  f 1 6.12372  0.235701  -0.0434319    5.3187e-018  0             0             176.549  1.6794e-014   216.75   0            81.1471  -2.80641e-014 
1 1 1 25 8  1  o 0 3.79612  0.244598  0.0522814     -0.206942    -0.0633012    -0.0282588    196.838  -92.3388      79.3241  -87.3281     78.171   82.5764       
1 1 1 25 8  2  o 0 5.39939  0.418581  -0.60843      0.739775     0.0218224     0.0342475     254.266  179.299       171.321  165.853      56.4294  44.2062       
1 1 1 25 8  3  o 0 7.10184  0.129001  0.123552      0.0981058    0.00222121    0.0128495     238.705  136.958       309.103  134.917      112.015  131.319       
1 1 1 25 8  4  o 0 2.56374  0.282369  -0.135058     0.354004     0.0839828     -0.153711     79.2535  120.165       40.7094  123.332      26.1347  -64.7719      
1 1 1 25 8  5  o 0 2.18359  0.968454  1.0934        -1.24075     0.131168      0.181882      81.4936  53.2764       98.5509  -34.2561     116.819  -69.2824      
1 1 1 25 8  6  o 0 3.22929  0.342124  -0.0160728    0.0279135    -0.000441233  7.98011e-005  54.0244  -168.282      96.9572  -170.251     51.7472  -171.973      
1 1 1 25 8  7  o 0 2.4532   0.441745  -0.167913     0.433389     -0.0208386    0.0157376     109.533  99.3753       60.8509  103.691      33.0191  -88.5956      
1 1 1 25 8  8  o 0 5.00167  0.228991  0.734661      -0.444829    0.0237021     -0.043261     75.3097  31.9266       355.634  14.0138      279.157  8.8582        
1 1 1 25 8  9  o 0 2.63852  0.330085  -0.108543     -0.253097    -0.00328808   0.00588306    94.0564  -90.3699      139.262  -93.3715     38.2415  -101.363      
1 1 1 25 8  10 o 0 1.44333  0.632435  0.724915      0.0948158    0.0147694     0.0268263     37.5997  -57.6058      53.0731  -0.563298    46.2372  48.002        
1 1 1 25 9  0  o 0 4.1833   0.310713  0.0142416     0            0             0             166.164  180           131.371  180          5.62944  -180          
1 1 1 25 9  1  o 0 7.66408  0.137204  0.397191      0.769289     -0.378561     -0.00331167   215.249  118.628       354.994  105.874      195.78   95.0309       
1 1 1 25 9  2  o 0 11.1598  0.115636  1.22585       -0.679946    0.530245      -0.381604     421.161  -80.4846      471.97   -69.8692     156.743  -46.795       
1 1 1 25 9  3  f 1 2.4362   0.317789  -0.11541      -0.416497    0.0848592     0.0568269     131.766  -114.832      13.6927  -117.174     91.1219  65.52         
1 1 1 25 9  4  o 0 2.85566  0.33151   -0.145004     -0.414145    -0.00114894   -0.0287932    34.1259  34.3363       30.7207  -33.0894     32.2007  -83.9074      
1 1 1 25 9  5  o 0 2.89218  0.494497  -0.634587     -0.0780657   -0.0294888    0.0266453     90.1763  -116.002      100.234  -137.892     42.4898  -177.584      
1 1 1 25 9  6  o 0 4.04708  0.28921   -0.0368842    0.130313     -0.00340838   0.00160406    235.488  26.2782       105.12   29.4828      88.9503  -157.51       
1 1 1 25 9  7  < 0 0        1.32288   -0.138956     0.00689055   0.00727824    -0.00515114   ?        ?             34.7537  -14.5378     ?        ?             
1 1 1 25 9  8  o 0 3.20561  0.430941  -0.560469     -0.369077    0.0262515     -0.00260983   66.0486  -86.9876      208.073  -100.194     141.748  -106.582      
1 1 1 25 9  9  o 0 1.99348  0.434969  -0.0824776    -0.292807    -0.00582385   -0.00237615   35.3774  133.228       49.7691  163.111      25.3846  -149.129      
1 1 1 25 9  10 o 0 1.35277  0.626129  -0.723568     -0.0947754   0.0143321     0.0206014     22.7727  -55.8555      48.7939  -166.899     62.1517  171.259       
1 1 1 25 10 0  o 0 8.84873  0.188078  -0.70031      8.57604e-017 0             0             411.202  8.99115e-015  301.794  0            0.873666 -3.09686e-012 
1 1 1 25 10 1  f 1 6.43445  0.170111  -0.240406     -0.848985    -0.149199     -0.210088     253.224  -33.1236      236.542  -49.5887     77.8308  -92.598       
1 1 1 25 10 2  o 0 5.70741  0.18124   -0.225917     0.266502     -0.0225594    -0.0185121    254.7    -122.784      201      -125.77      16.1275  -163.269      
1 1 1 25 10 3  o 0 3.59374  0.248804  0.00165144    -0.137558    -0.00837929   0.00152961    59.1271  84.6744       108.266  83.8687      63.5599  83.3019       
1 1 1 25 10 4  o 0 2.43356  0.323709  -0.332334     0.493047     0.10576       -0.0575635    79.9595  119.342       66.6922  127.672      10.5537  -174.377      
1 1 1 25 10 5  o 0 3.88131  0.315359  0.249457      0.437908     0.0231874     0.00517996    187.83   55.3882       121.771  55.5558      26.2767  -125.389      
1 1 1 25 10 6  o 0 3.76521  0.334135  0.268582      -0.0700729   -0.000713218  -0.00582095   105.317  -68.7486      155.632  -62.225      72.0919  -54.5511      
1 1 1 25 10 7  o 0 0.419792 0.658179  0.0770881     0.230773     -0.0117168    -0.000770059  84.3017  -44.3566      76.7665  132.354      161.34   134.079       
1 1 1 25 10 8  o 0 4.65829  0.219545  1.5575        0.251112     0.106907      -0.0154934    148.182  58.2218       299.918  47.3499      153.366  36.5771       
1 1 1 25 10 9  f 1 1.5417   0.494571  -0.134335     -0.158441    -0.00168029   0.00333034    22.2118  -137.234      28.8789  -133.375     6.19652  -118.952      
1 1 1 25 11 0  o 0 2.19089  0.521848  -0.024129     2.95486e-018 0             0             87.9725  -5.689e-014   42.9777  0            16.72    180           
1 1 1 25 11 1  o 0 1.62219  0.466574  0.12468       0.349357     0.0151811     0.091906      72.6246  -8.24482      20.2704  93.7688      58.3799  151.902       
1 1 1 25 11 2  o 0 4.78682  0.216481  1.0361        0.117833     0.293258      0.0427179     296.037  -4.01987      106.722  0.59127      105.931  171.335       
1 1 1 25 11 3  o 0 1.14196  0.493433  -0.0341931    0.0463979    -0.0019742    -0.000868094  145.826  -42.4419      65.9611  137.255      172.867  137.442       
1 1 1 25 11 4  o 0 2.05945  0.37266   0.0970065     -0.186811    -0.021981     -0.0103202    79.2459  23.6418       21.646   -13.7535     44.223   -139.065      
1 1 1 25 11 5  o 0 1.12384  0.570097  -0.191406     -0.00328206  -0.00265123   0.00660217    31.1103  164.294       6.3261   -36.8645     29.835   -20.0957      
1 1 1 25 11 6  o 0 1.48981  0.68101   -0.111628     0.18717      0.00746577    -0.0059705    99.2998  -15.9744      38.521   149.865      134.8    160.017       
1 1 1 25 11 7  o 0 3.93167  0.278026  0.435258      0.0398132    0.00955434    0.00472256    123.497  59.4257       232.421  54.8888      112.27   50.0009       
1 1 1 25 11 8  < 0 0        1.25103   -0.135102     0.297804     0.00467979    -0.0173777    ?        ?             60.7575  32.9005      ?        ?             
1 1 1 25 12 0  o 0 1.48324  0.653256  -0.231073     2.82973e-017 0             0             28.3859  -1.71188e-013 3.52603  -180         22.022   180           
1 1 1 25 12 1  o 0 4.74766  0.312331  -0.634424     -0.601188    -0.0641001    -0.0131182    174.215  -39.6678      167.911  -55.1148     63.3414  -84.5827      
1 1 1 25 12 2  o 0 4.40383  0.239479  -0.0737945    0.329416     -0.0182541    0.0130497     218.621  -60.9791      120.903  -59.8415     30.0933  114.446       
1 1 1 25 12 3  f 1 3.48803  0.622135  -0.02058      1.1487       0.0464676     -0.0285951    67.1599  -145.033      110.639  156.13       95.2467  131.26        
1 1 1 25 12 4  o 0 5.484    0.251     -0.0252146    0.13347      -0.000912435  7.88495e-005  97.1293  149.444       327.79   147.583      239.952  146.902       
1 1 1 25 12 5  o 0 2.54027  0.317605  -0.118861     0.0803499    0.000206794   -0.00372387   62.568   -12.1567      47.455   -5.8337      12.0002  142.024       
1 1 1 25 12 6  o 0 4.42353  0.244663  0.528303      -0.377408    0.0107189     -0.0255902    158.276  -6.36218      239.748  -9.48061     93.3324  -14.395       
1 1 1 25 12 7  o 0 1.73758  0.488062  -0.142133     0.182068     -0.00318012   -0.00301844   55.3083  -59.3801      27.8341  -63.7982     24.9233  125.555       
1 1 1 25 12 8  o 0 1.52418  0.732352  0.412757      0.221238     0.00884192    -0.0125243    22.7857  54.6462       40.4717  34.2734      21.1327  12.8331       
1 1 1 25 13 0  o 0 8.16701  0.208866  0.116852      0            0             0             344.074  -2.79234e-014 246.568  0            32.1017  1.86552e-013  
1 1 1 25 13 1  o 0 4.5747   0.432948  -0.108872     0.431233     -0.00388508   0.0105198     54.7495  -160.438      158.061  -176.885     124.668  178.525       
1 1 1 25 13 2  o 0 3.71987  0.282579  0.39076       -0.0655723   0.00364385    -0.0176575    74.8119  -66.3783      128.7    -54.5275     80.8358  -47.2937      
1 1 1 25 13 3  o 0 1.06631  0.580995  -0.0529409    -0.249988    0.00375761    -0.00722527   47.7348  -3.52407      28.1261  -160.786     67.3707  -174.238      
1 1 1 25 13 4  o 0 4.42731  0.235947  -0.515812     -0.386425    0.0230773     0.0319258     207.112  -110.837      167.401  -117.443     23.9162  122.791       
1 1 1 25 13 5  o 0 3.02968  0.503169  0.636292      0.18153      0.00731159    -0.0267115    123.631  40.5127       130.608  35.2583      24.9824  11.9076       
1 1 1 25 13 6  o 0 1.47063  0.535391  -0.224142     0.098995     0.0020685     -0.00708837   28.6944  -59.8465      9.10119  -151.343     27.5023  139.471       
1 1 1 25 13 7  o 0 2.50693  0.415744  0.414986      -0.0120032   0.00601093    -0.00546347   95.3725  95.1759       103.264  82.3446      26.4049  34.89         
1 1 1 25 14 0  o 0 0        1.73205   -0.0352681    4.31896e-018 0             0             54.9258  -180          0        0            40.7201  9.71609e-014  
1 1 1 25 14 1  o 0 2.20484  0.417256  -0.360618     0.0292057    0.0314384     0.00600937    125.655  74.1985       24.952   125.519      83.0628  -119.364      
1 1 1 25 14 2  f 1 2.626    0.364835  0.174278      0.157209     -0.00392847   0.0109777     237.323  88.5856       9.6665   -44.9082     191.531  -89.3162      
1 1 1 25 14 3  o 0 2.94454  0.323672  -0.194805     0.272765     0.01338       -0.00949611   53.3329  64.2477       132.183  73.5158      90.5272  77.849        
1 1 1 25 14 4  o 0 4.69739  0.213581  0.0358624     0.491583     -0.0144272    0.00666691    188.523  -148.172      210.147  -151.181     56.7481  -159.38       
1 1 1 25 14 5  < 0 0        1.18019   -0.0639394    0.0502468    -0.000854364  -0.00105797   ?        ?             80.0872  -150.575     ?        ?             
1 1 1 25 14 6  o 0 2.58218  0.401766  0.766823      -0.177397    0.03578       -0.0169699    37.0078  17.3299       126.097  2.73305      95.6071  -2.08378      
1 1 1 25 15 0  o 0 3.30151  0.437753  0.0648137     0            0             0             95.1298  180           109.576  180          44.0164  -180          
1 1 1 25 15 1  o 0 8.04163  0.160899  -0.0653671    0.511696     -0.0071099    0.000107994   246.987  148.351       381.501  147.133      205.285  146.087       
1 1 1 25 15 2  f 1 2.97771  0.337331  0.221005      -0.175409    -0.00265898   -0.00880191   151.086  -39.2843      90.1823  -39.3353     19.4642  140.952       
1 1 1 25 15 3  o 0 0.663632 0.61952   0.279669      -0.128128    0.0220948     -0.00935794   46.3623  42.5886       23.0438  -119.951     57.5903  -130.516      
1 1 1 25 15 4  o 0 6.72828  0.173325  -1.4684       -1.02607     0.0548279     0.0659879     304.176  -118.007      273.79   -121.396     39.3892  -142.267      
1 1 1 25 15 5  o 0 2.06542  0.938064  0.202426      -0.147293    -0.00411075   0.00054438    88.7479  -134.517      56.1609  -121.767     20.5257  8.33875       
1 1 1 25 16 0  o 0 6.12372  0.273301  -0.790176     9.67654e-017 0             0             311.56   -180          197.436  -180         5.63655  7.64251e-013  
1 1 1 25 16 1  o 0 2.31473  0.649547  -0.12229      -0.647086    0.0162579     0.026916      88.0162  -149.334      71.1133  -134.172     20.7268  -85.5165      
1 1 1 25 16 2  o 0 4.91188  0.240833  0.532266      0.6846       -0.012689     0.0357981     291.997  50.1397       127.441  50.4303      76.5863  -130.344      
1 1 1 25 16 3  o 0 1.77251  0.481803  -0.067428     0.117482     -0.000727902  -0.00297963   91.5444  122.584       29.7823  122.141      36.1713  -57.0514      
1 1 1 25 16 4  o 0 2.99256  0.331788  0.206976      0.466436     -0.00555548   0.0141853     107.424  -159.658      112.062  -167.707     35.0237  173.726       
1 1 1 25 17 0  o 0 1.87083  0.601517  -0.0188655    2.31028e-018 0             0             56.8779  180           36.8248  180          1.89131  -180          
1 1 1 25 17 1  o 0 0.960854 0.670262  0.0977921     0.115167     -0.00258761   0.00038466    73.1518  123.315       19.2514  -44.9486     65.609   -53.2633      
1 1 1 25 17 2  o 0 1.75628  0.719288  0.422847      -0.0304181   0.000376445   -0.015966     16.0554  113.331       20.9222  25.4297      23.1024  -1.84229      
1 1 1 25 17 3  o 0 3.89922  0.274882  0.827411      0.490484     0.0257129     0.0378742     93.2966  177.087       167.481  168.555      105.084  163.41        
1 1 1 26 0  0  o 0 4.44972  0.323888  -0.017284     2.11661e-018 0             0             267.743  180           80.4567  180          162.377  -6.97919e-013 
1 1 1 26 0  1  o 0 13.8311  0.125384  -0.0256483    -0.0444242   0             0             528.096  60            556.333  60           74.1984  60            
1 1 1 26 0  2  o 0 18.3603  0.127111  0.510846      -0.884811    0             0             643.654  120           741.085  120          151.414  120           
1 1 1 26 0  3  o 0 2.02485  0.421304  -0.047193     5.77928e-018 0             0             354.158  180           44.7448  180          280.174  -8.05e-015    
1 1 1 26 0  4  o 0 9.97497  0.128656  -0.201892     -0.349687    0             0             301.263  -120          400.142  -120         123.718  -120          
1 1 1 26 0  5  o 0 1.81659  0.668199  -0.0590075    0.102204     0             0             66.4075  -60           9.90183  -60          49.4589  120           
1 1 1 26 0  6  o 0 0.83666  0.827633  -0.00127861   1.5658e-019  0             0             58.2176  -180          3.53831  -180         48.4021  7.45099e-015  
1 1 1 26 0  7  o 0 6.13188  0.189736  0.084474      0.146313     0             0             166.198  60            248.846  60           101.052  60            
1 1 1 26 0  8  o 0 2.50998  0.545274  -0.0114089    0.0197609    0             0             153.169  -60           67.1144  -60          68.4012  120           
1 1 1 26 0  9  o 0 6.01664  0.262531  0.116902      0            0             0             221.811  -180          246.191  -180         58.7813  180           
1 1 1 26 0  10 o 0 1.73205  0.737656  -0.133663     -0.231512    0             0             113.543  -120          53.2393  -120         41.6789  60            
1 1 1 26 0  11 o 0 2.21359  0.694179  -0.018563     0.032152     0             0             2.70546  -60           0.578077 -60          2.14649  120           
1 1 1 26 0  12 o 0 0        2.04939   0.0983786     0            0             0             52.0708  180           0        0            51.4634  -2.51905e-015 
1 1 1 26 1  0  o 0 2.19089  0.415468  -0.0980554    1.20079e-017 0             0             100.397  2.74309e-013  6.5108   0            83.1254  -180          
1 1 1 26 1  1  o 0 11.6023  0.177483  0.269143      -0.817683    0.0948991     0.0214113     364.241  -150.872      527.536  -141.209     211.445  -126.114      
1 1 1 26 1  2  o 0 20.9071  0.403592  4.97936       -0.157975    -0.877208     0.814128      800.747  19.7145       916.071  21.1545      191.796  26.6083       
1 1 1 26 1  3  f 1 10.4545  0.180293  -1.53741      -2.18184     -0.646691     -1.37887      587.054  -57.5504      302.464  -81.6703     278.658  148.781       
1 1 1 26 1  4  o 0 8.3378   0.638096  8.50302       2.98115      -1.35343      -0.715775     332.694  42.0993       374.994  34.831       89.6498  10.1478       
1 1 1 26 1  5  o 0 6.53915  0.367869  2.05392       0.405851     -0.212611     -0.197337     233.047  55.4845       300.55   42.0581      109.673  15.967        
1 1 1 26 1  6  o 0 8.24942  0.186261  0.575929      -0.230583    -0.0547555    -0.0246387    212.962  34.7713       449.06   29.877       260.172  26.3031       
1 1 1 26 1  7  o 0 2.63761  0.356976  -0.0455417    -0.161148    -0.0199758    0.0176936     115.602  -115.8        24.8539  -109.282     78.5723  62.1419       
1 1 1 26 1  8  o 0 1.8003   0.475897  0.158804      0.00902347   0.00603255    -0.00706011   105.642  -32.7821      5.58964  57.0066      90.7961  143.688       
1 1 1 26 1  9  o 0 1.231    0.574245  -0.0883208    -0.0365142   0.00293999    0.000633308   28.1605  3.95531       15.7304  -170.434     39.7665  -173.828      
1 1 1 26 1  10 o 0 4.56818  0.270486  -0.0658302    0.147913     -0.00174419   -0.000676922  113.864  -36.9052      278.798  -35.212      158.099  -33.9184      
1 1 1 26 1  11 o 0 2.14246  0.539654  -0.0288532    0.0209089    -2.297e-005   -1.43607e-005 94.3063  -127.452      77.2542  -129.061     19.9342  58.7937       
1 1 1 26 1  12 f 1 1.82161  0.858405  -0.029481     0.370621     -0.000807201  0.00474256    43.947   75.1203       64.1535  83.0567      21.5116  99.4366       
1 1 1 26 2  0  o 0 11.1624  0.141532  -0.0799       9.78461e-018 0             0             447.949  9.9223e-014   431.647  0            38.147   -1.02352e-012 
1 1 1 26 2  1  o 0 5.02518  0.162066  -0.508442     -0.0445952   -0.141191     -0.302824     261.531  -139.886      54.3494  -174.877     190.292  49.5403       
1 1 1 26 2  2  o 0 3.18221  0.238494  0.523366      -0.0927627   -0.564733     -0.822878     274.762  2.52644       128.186  -143.46      359.476  -165.967      
1 1 1 26 2  3  o 0 6.84733  0.229427  0.74048       1.12355      -0.0225375    -0.290369     226.388  119.164       327.142  107.73       137.919  91.1153       
1 1 1 26 2  4  o 0 3.73823  0.122491  0.073619      -0.258312    -0.332021     0.235695      117.102  -21.3058      90.8804  -43.3064     39.0929  -140.745      
1 1 1 26 2  5  o 0 2.33446  0.593427  -1.68811      -0.922775    -0.0747607    -0.177366     148.301  153.273       73.2507  -119.425     147.659  -56.432       
1 1 1 26 2  6  o 0 3.90665  0.244991  0.0759721     -0.141067    0.00592948    0.00180247    177.826  166.231       99.0807  172.863      61.2846  -24.5295      
1 1 1 26 2  7  o 0 3.47883  0.291966  -0.0390133    0.58861      0.0153319     0.117296      60.6467  -54.4487      46.0486  42.2407      75.1717  88.0767       
1 1 1 26 2  8  f 1 3.71876  0.23298   -0.346072     0.739311     -0.148053     -0.120902     263.91   113.645       67.9189  112.958      156.494  -66.057       
1 1 1 26 2  9  o 0 2.27627  0.471832  0.00134513    -0.213649    -0.00204412   -0.00604479   108.846  71.5299       25.6262  60.8947      69.0207  -104.541      
1 1 1 26 2  10 o 0 1.17653  0.66023   -0.0519535    -0.153121    -0.000247277  0.00369153    45.3717  -76.6926      18.1153  119.786      66.4142  107.745       
1 1 1 26 2  11 o 0 3.8183   0.352358  -0.0368837    -0.946678    -0.0164939    -0.0141047    109.787  -11.6434      249.392  -24.8417     139.741  -35.69        
1 1 1 26 3  0  o 0 2.60768  0.39548   -0.0548537    6.71742e-018 0             0             43.1123  -180          28.6325  -180         7.66814  2.85262e-012  
1 1 1 26 3  1  f 1 19.3635  0.0933706 -0.944074     -0.25567     -0.0841639    0.278192      772.364  -155.178      878.502  -154.68      229.753  -153.273      
1 1 1 26 3  2  o 0 2.56676  0.288247  -0.325115     0.396126     -0.936972     0.411866      54.1228  163.846       47.1102  84.6444      59.7725  34.579        
1 1 1 26 3  3  o 0 9.77248  0.189908  -0.054876     -1.80095     0.387064      -0.401015     258.561  -44.9089      536.702  -48.8295     312.695  -51.6484      
1 1 1 26 3  4  o 0 8.50288  0.621646  3.19171       1.86939      -0.157283     -0.179296     288.977  -47.9898      427.878  -21.9177     229.133  7.16686       
1 1 1 26 3  5  f 1 2.31273  0.452738  1.10255       0.253205     -0.0807545    -0.0836805    101.453  -77.7718      83.9176  20.0418      129.817  62.4042       
1 1 1 26 3  6  o 0 4.52845  0.571358  -2.80588      -1.36339     -0.305002     -0.175917     215.488  -60.7581      213.781  -126.575     221.137  -178.886      
1 1 1 26 3  7  o 0 3.1831   0.539231  -0.0594183    0.395989     0.0127571     -0.00837654   27.3273  162.91        62.7763  116.701      49.1195  95.6052       
1 1 1 26 3  8  o 0 2.35668  0.390885  0.225957      -0.0662221   -0.00158076   -0.0110785    173.229  -136.894      13.7813  -82.3969     142.69   38.596        
1 1 1 26 3  9  o 0 3.95737  0.312393  -0.308096     0.847134     -0.0228449    -0.0555362    97.7939  -149.102      185.637  -176.881     117.192  163.313       
1 1 1 26 3  10 f 1 4.001    0.307267  0.0947999     0.0194202    0.000420351   -0.000184691  106.66   -1.9657       273.613  -1.66592     161.509  -1.45784      
1 1 1 26 3  11 o 0 2.89778  0.41129   -0.311727     0.0385561    0.00218385    0.00128328    112.682  -150.12       152.388  -154.122     33.4804  -168.64       
1 1 1 26 4  0  f 1 9.51315  0.165291  0.0129368     0            0             0             503.507  -180          366.502  -180         43.3752  7.40885e-014  
1 1 1 26 4  1  o 0 5.26576  0.287649  -0.377874     1.90156      0.438058      0.0232759     393.065  -178.444      90.0706  129.507      283.587  16.0602       
1 1 1 26 4  2  o 0 2.165    0.346622  -0.883172     -0.186939    -0.185907     -0.0218289    98.0765  167.601       28.9566  -144.884     67.3094  -30.8953      
1 1 1 26 4  3  o 0 4.31206  0.186338  -0.307242     0.231551     -0.350192     -0.111702     101.933  -18.1442      97.8345  -23.3019     13.1523  -60.1119      
1 1 1 26 4  4  o 0 4.14575  0.340789  -3.27799      1.41451      -0.325895     0.686294      281.957  -120.07       141.539  165.182      248.673  93.2378       
1 1 1 26 4  5  o 0 6.79674  0.162599  -0.47008      0.224461     0.148499      -0.0360206    282.52   61.3363       270.452  66.4129      32.0504  109.64        
1 1 1 26 4  6  o 0 2.27257  0.582526  -1.1519       0.701944     -0.0902311    0.0775183     145.552  110.305       41.7599  -171.3       127.43   -88.4189      
1 1 1 26 4  7  f 1 4.13746  0.365719  1.05052       -0.373228    -0.0858743    -0.0675528    140.961  -120.077      190.677  -92.5114     101.14   -59.333       
1 1 1 26 4  8  o 0 0.366579 0.588315  -0.219545     0.26344      -0.0489585    -0.032922     117.256  27.6155       98.4245  -155.437     200.296  -153.884      
1 1 1 26 4  9  o 0 2.18118  0.449304  0.298115      -0.160954    0.00145186    -0.015814     102.601  -1.00519      49.1138  -17.2678     66.5109  -169.071      
1 1 1 26 4  10 o 0 2.64686  0.407223  -0.429282     -0.288857    -0.0047178    0.0178912     96.5575  -73.937       139.106  -87.5486     45.1631  -120.395      
1 1 1 26 4  11 f 1 5.81686  0.470448  -0.361902     -1.17905     -0.0172651    -0.00273076   168.451  -11.5843      421.134  -19.1022     244.186  -24.6252      
1 1 1 26 5  0  o 0 14.5877  0.135831  -0.129447     1.58522e-017 0             0             535.103  1.16452e-014  550.82   0            117.282  -4.30469e-014 
1 1 1 26 5  1  o 0 8.96916  0.122125  0.0240425     -0.509473    0.0300478     0.150434      316.828  140.451       396.269  144.606      137.015  152.546       
1 1 1 26 5  2  o 0 5.04956  0.268874  2.82357       -0.335486    -0.646582     0.591246      279.499  -30.7087      129.766  -11.042      120.025  127.954       
1 1 1 26 5  3  o 0 2.53749  0.290583  0.239147      -1.15751     0.476488      -0.129722     253.191  7.35024       81.1567  -123.534     274.945  -159.755      
1 1 1 26 5  4  o 0 3.04223  0.217996  0.135025      0.117862     -0.00768312   -0.00661675   159.039  163.338       32.2782  137.778      108.518  -9.28914      
1 1 1 26 5  5  o 0 11.2147  0.246403  -0.37913      0.493027     -0.0277617    0.015103      456.631  139.553       491.427  138.715      94.0461  135.166       
1 1 1 26 5  6  o 0 7.92447  0.162562  -0.120013     -0.59084     -0.0324888    -0.0115964    329.798  -128.913      354.913  -127.152     75.7413  -120.632      
1 1 1 26 5  7  o 0 3.20503  0.333556  -0.144783     0.187859     -0.00810886   -0.0149274    135.219  33.6873       103.631  42.8832      21.5848  163.577       
1 1 1 26 5  8  o 0 2.90071  0.667156  -0.321189     -0.792709    -0.0109773    -0.0373139    123.073  156.806       96.0783  -166.78      64.2881  -85.7128      
1 1 1 26 5  9  o 0 2.31662  0.421676  0.189359      0.674989     -0.053677     0.014618      96.6104  133.418       108.09   112.295      39.0662  39.0485       
1 1 1 26 5  10 f 1 3.05575  0.374593  0.00463279    0.0538484    -6.75561e-005 -1.31033e-005 50.789   44.5729       184.809  45.7559      130.531  46.248        
1 1 1 26 5  11 o 0 1.57845  0.772659  -0.162681     0.289862     0.00429144    -0.00337577   40.831   97.0727       44.7601  109.106      9.37926  -167.169      
1 1 1 26 6  0  o 0 4.70106  0.280555  -0.0553316    6.77594e-018 0             0             211.868  -180          168.649  -180         0.757063 180           
1 1 1 26 6  1  o 0 2.36537  0.368217  0.375393      1.27604      0.149101      -0.227455     101.075  123.846       58.2855  68.4147      68.3299  -11.5338      
1 1 1 26 6  2  o 0 6.22761  0.154557  -1.18765      -0.74872     -0.422738     -0.0857558    217.08   -75.7237      272.119  -95.1889     119.606  -125.025      
1 1 1 26 6  3  f 1 10.9179  0.108786  -0.243935     -0.107292    0.0029098     0.0141939     394.007  -48.5916      501.544  -49.9575     177.488  -52.4539      
1 1 1 26 6  4  o 0 3.1201   0.233714  -0.541219     -0.16546     -0.0644634    0.00475632    120.074  -151.897      72.989   -155.854     29.5216  37.9266       
1 1 1 26 6  5  o 0 5.15436  0.462472  -1.10508      -2.62291     0.28005       -0.0994587    175.161  -66.6608      233.469  -95.6201     125.014  -131.382      
1 1 1 26 6  6  o 0 3.01192  0.345152  -0.605348     0.591814     -0.104618     0.0113616     99.5535  82.162        118.427  104.877      52.3513  143.031       
1 1 1 26 6  7  o 0 2.06346  0.478222  -0.179411     -0.433282    -0.0493539    -0.00915423   107.66   -46.5925      35.4939  -99.7936     76.1762  155.315       
1 1 1 26 6  8  o 0 3.25235  0.346754  -0.168416     0.34944      -0.0124695    -0.00973946   136.744  160.499       140.985  150.867      25.2198  49.7924       
1 1 1 26 6  9  o 0 2.18007  0.448998  0.151352      -0.369688    -0.00865639   -0.0157931    16.6474  -156.069      59.1469  -107.717     49.1128  -91.9229      
1 1 1 26 6  10 o 0 3.0284   0.625847  -0.729679     -0.493341    -0.0220673    0.00924659    55.8782  170.542       206.406  -174.536     148.405  -168.472      
1 1 1 26 7  0  o 0 3.68782  0.334351  -0.100698     1.23315e-017 0             0             83.41    6.69573e-014  65.0856  0            0.594464 -7.26395e-012 
1 1 1 26 7  1  o 0 7.40322  0.316591  0.407535      -1.16051     0.0330818     0.0899663     209.997  11.3324       341.07   -2.43621     184.116  -14.8283      
1 1 1 26 7  2  o 0 9.76479  0.11917   0.705684      0.871827     -0.384624     0.0640229     339.424  15.4934       434.406  23.0384      167.009  35.464        
1 1 1 26 7  3  o 0 8.18762  0.128799  2.02503       0.495253     0.430418      -1.04728      347.4    -15.8981      322.625  -17.0351     37.8544  -25.6341      
1 1 1 26 7  4  o 0 5.51466  0.160953  0.0116107     -0.0179362   9.04765e-005  -0.000193346  213.84   -7.72341      203.942  -8.08457     25.3046  -10.6354      
1 1 1 26 7  5  o 0 7.74637  0.157446  0.232602      0.578678     -0.0110846    0.0303891     271.86   73.5349       372.208  73.0038      149.901  72.2161       
1 1 1 26 7  6  o 0 1.723    0.513804  0.126484      -0.565218    -0.0563875    0.0719322     93.2031  -147.303      32.0545  -58.9578     83.0442  10.0011       
1 1 1 26 7  7  o 0 4.37307  0.275008  -0.111694     0.51446      -0.0183441    0.0124004     156.937  123.701       191.818  119.776      59.9873  111.056       
1 1 1 26 7  8  o 0 2.77788  0.9875    0.402618      -0.0136388   -0.00373172   -0.0069508    74.7625  -125.166      150.228  -114.163     74.5118  -102.534      
1 1 1 26 7  9  o 0 3.11611  0.371112  0.116897      0.832965     -0.034298     -0.0100846    58.256   121.944       213.206  109.176      152.98   104.004       
1 1 1 26 7  10 f 1 2.22031  0.437189  0.206154      0.507394     -0.013207     0.0028111     41.0097  -173.061      78.08    147.124      52.4847  114.657       
1 1 1 26 8  0  f 1 2.07364  0.55416   0.0818212     0            0             0             35.5567  180           4.96641  180          21.3759  -2.83653e-013 
1 1 1 26 8  1  o 0 8.52008  0.132314  -0.952079     0.277517     0.446208      -0.277634     349.734  163.098       322.157  163.395      52.547   164.919       
1 1 1 26 8  2  o 0 9.22069  0.26438   -0.630519     0.129578     -0.00916586   0.0233094     373.205  101.468       359.792  105.399      69.366   122.296       
1 1 1 26 8  3  o 0 6.54982  0.147101  -0.317137     0.56891      -0.0617294    -0.0671503    212.952  -152.736      274.977  -163.362     111.222  -179.859      
1 1 1 26 8  4  o 0 2.81647  0.278392  0.274015      0.116508     -0.0150719    0.0396304     33.1235  163.65        28.5282  120.569      20.1938  58.4313       
1 1 1 26 8  5  o 0 3.18022  0.300354  -0.342377     -0.0765231   0.0340825     -0.00642849   221.938  -129.155      46.3245  -142.695     133.923  55.4901       
1 1 1 26 8  6  o 0 3.36354  0.361472  -0.2301       0.783558     -0.0227056    0.0522785     86.0142  128.113       143.524  117.789      75.2066  108.113       
1 1 1 26 8  7  o 0 2.506    0.949723  0.807357      -0.302844    -0.0407557    -0.0132424    108.708  -64.0149      91.8064  -37.492      51.5744  63.3391       
1 1 1 26 8  8  o 0 1.88878  0.480938  -0.0247497    0.392702     -0.0213585    -0.002239     23.3655  -95.8438      6.24268  162.115      26.3694  97.5434       
1 1 1 26 8  9  o 0 2.06993  0.923258  0.151294      -0.000457436 -0.000751792  -0.000862011  43.4246  -144.883      62.3526  -137.281     17.676   -117.067      
1 1 1 26 9  0  o 0 3.67423  0.380385  0.130495      0            0             0             196.072  180           123.397  180          14.2847  -5.11756e-015 
1 1 1 26 9  1  o 0 6.43613  0.170051  0.0313498     -0.556419    -0.0475577    0.025529      206.488  -133.841      278.61   -129.681     130.532  -124.935      
1 1 1 26 9  2  o 0 3.56201  0.521205  -0.0628397    -0.707289    0.0297654     0.01858       124.615  117.779       109.3    133.764      32.7915  -175.594      
1 1 1 26 9  3  o 0 1.85971  0.393729  0.447764      -0.168004    0.0606016     0.0691523     81.9311  46.4263       28.9405  -16.0163     54.8796  -105.701      
1 1 1 26 9  4  o 0 4.08588  0.215212  0.0213215     -0.400731    -0.035171     0.0252596     177.203  -71.3716      141.007  -74.6955     9.09406  -135.401      
1 1 1 26 9  5  o 0 2.81869  0.352227  -0.000997837  -0.0109673   0.000150643   0.000904499   121.974  -54.2953      69.6283  -54.6895     26.5404  126.739       
1 1 1 26 9  6  < 0 0        1.34164   -0.179798     -0.196312    -0.0263739    0.0174472     ?        ?             32.4047  -69.3763     ?        ?             
1 1 1 26 9  7  o 0 0.844156 0.695251  0.0135402     0.0180814    -4.84404e-005 6.78097e-005  71.4474  -173.044      39.4332  7.87093      111.264  7.28026       
1 1 1 26 9  8  o 0 2.69997  0.604074  0.44028       -0.485508    -0.0202561    -0.000362025  102.432  -71.0018      137.127  -65.6464     33.779   -48.7371      
1 1 1 26 9  9  o 0 2.82829  0.581185  0.25276       0.840935     -0.0169826    -0.0236482    41.3743  40.4551       179.766  55.0464      138.119  59.5956       
1 1 1 26 10 0  o 0 0        1.70294   0.0632002     0            0             0             46.7509  1.6967e-013   0        0            31.7401  -180          
1 1 1 26 10 1  o 0 5.8743   0.18542   -0.541428     -0.548265    0.0263579     0.129036      218.912  178.472       225.364  -174.08      76.306   -159.02       
1 1 1 26 10 2  f 1 3.03395  0.319832  -0.345526     -0.422578    0.053043      -0.000108164  190.878  160.383       54.6632  -174.884     88.1971  -34.6454      
1 1 1 26 10 3  o 0 1.78588  0.464101  -0.274027     0.115197     -0.0140604    -0.000756357  51.4535  22.3877       15.9583  146.686      48.6317  -173.341      
1 1 1 26 10 4  o 0 3.09889  0.31231   0.896644      0.172122     -0.0685712    0.0708673     140.546  71.7712       93.7357  46.6202      44.9835  -45.9014      
1 1 1 26 10 5  f 1 2.26933  0.398075  -0.315093     -0.0703194   0.00403748    0.0173758     173.135  166.459       12.8515  -149.446     154.832  -16.852       
1 1 1 26 10 6  o 0 2.35557  1.05705   1.57347       0.192564     -0.117908     0.0415236     141.317  164.601       57.7067  123.242      100.245  6.95819       
1 1 1 26 10 7  o 0 1.61904  0.609306  0.207296      -0.24636     -0.00937815   -0.003494     92.2214  -101.271      29.2261  -74.9267     65.9524  67.3874       
1 1 1 26 10 8  o 0 2.64946  0.413636  -0.140775     0.121553     -9.67936e-005 -0.00258895   32.3165  41.7573       103.516  53.378       71.8799  58.6205       
1 1 1 26 11 0  o 0 8.46168  0.201938  0.517661      0            0             0             489.557  -180          268.086  -180         52.1387  2.84584e-014  
1 1 1 26 11 1  f 1 2.81031  0.342178  0.0363363     0.333103     -0.0509938    -0.00467813   197.961  155.688       30.82    127.558      105.337  -16.3832      
1 1 1 26 11 2  o 0 2.39593  1.08611   -0.646749     0.13815      -0.014348     0.0133306     76.7668  125.11        58.6017  150.639      25.2585  -144.02       
1 1 1 26 11 3  o 0 3.66482  0.383218  0.66853       -0.356092    0.041832      0.0288061     116.871  -28.0174      134.38   -26.4581     51.2167  -23.9231      
1 1 1 26 11 4  o 0 2.81748  0.305378  0.621033      -0.321598    -0.0435904    -0.0539107    47.1167  -57.2862      116.485  -41.8649     75.9457  -33.2158      
1 1 1 26 11 5  o 0 3.33354  0.247871  -0.00385655   0.0743735    -0.000254402  -0.000320931  195.018  -100.002      85.3452  -100.615     96.8506  80.5387       
1 1 1 26 11 6  < 0 0        1.25529   -0.0672369    -0.148886    0.00230744    0.00843631    ?        ?             116.502  -160.047     ?        ?             
1 1 1 26 11 7  o 0 3.33015  0.365538  -0.0507367    0.333546     -0.00449061   -0.00302024   44.6846  -56.5031      167.374  -50.9588     124.701  -49.0521      
1 1 1 26 11 8  o 0 2.81364  0.326234  -0.20677      -0.618148    -0.0195305    -0.00527722   69.0782  -111.006      161.606  -109.835     93.5312  -108.983      
1 1 1 26 12 0  o 0 1.58114  0.666045  0.0017139     0            0             0             18.2303  180           5.02203  180          6.42496  -7.9974e-013  
1 1 1 26 12 1  o 0 2.02293  0.447825  -0.070909     -0.42656     0.00305033    0.0424256     76.9503  -56.0654      28.0731  -90.3518     31.0585  154.544       
1 1 1 26 12 2  o 0 1.43163  0.67672   -0.56925      -0.344498    0.00955278    -0.0441743    115.68   161.15        31.9207  -59.5188     122.511  -28.6261      
1 1 1 26 12 3  o 0 3.40065  0.604657  -0.796775     -0.0275309   -0.0157666    0.0250349     147.784  151.206       121.853  162.219      24.3645  -101.625      
1 1 1 26 12 4  o 0 1.00015  0.5459    0.146156      0.0705564    0.00311425    0.00885534    28.6565  106.238       9.56122  -28.9947     32.2261  -61.702       
1 1 1 26 12 5  o 0 2.026    0.912528  -0.0349335    0.13711      0.00159013    -0.0015005    87.2871  -116.621      56.4935  -121.899     21.6805  77.2479       
1 1 1 26 12 6  o 0 1.93118  0.461514  -0.0239015    0.298857     -0.00938108   -0.00225657   111.73   -179.801      41.7283  160.735      63.7369  12.7995       
1 1 1 26 12 7  o 0 1.53339  0.694289  -0.142687     -0.028427    -0.000321077  0.00172088    34.7541  87.7255       18       119.02       19.4402  -121.023      
1 1 1 26 13 0  f 1 2.21359  0.518523  0.187674      0            0             0             45.3539  7.98086e-014  40.4041  0            6.93063  -3.85459e-013 
1 1 1 26 13 1  f 1 4.86716  0.230367  -0.0468596    0.748319     -0.0408106    0.0295232     131.41   -73.8685      214.975  -71.7165     114.719  -69.8335      
1 1 1 26 13 2  o 0 1.60955  0.49193   -0.0122247    -0.10795     -0.00138284   0.00211462    36.2058  -122.003      24.024   -115.658     5.23246  27.5042       
1 1 1 26 13 3  o 0 0.492121 0.60228   0.140743      0.0207353    0.0062393     -0.000262024  59.8509  77.4714       39.5042  -98.8188     87.787   -100.86       
1 1 1 26 13 4  o 0 3.24438  0.774643  0.561803      -0.0424814   -0.00595707   -0.0101769    153.819  30.5227       120.575  25.4583      13.1026  -95.151       
1 1 1 26 13 5  o 0 0.84951  0.5502    0.141619      0.0385646    0.00345681    0.00121316    69.9872  115.587       33.1399  -56.1491     92.6524  -61.4659      
1 1 1 26 13 6  o 0 1.68188  0.762548  -0.245248     0.113368     0.00614914    0.00168954    65.6093  134.301       39.7108  142.139      18.9849  -62.2721      
1 1 1 26 14 0  o 0 0        1.81659   0.0498546     0            0             0             51.8476  4.89291e-014  0        0            36.2503  -180          
1 1 1 26 14 1  o 0 5.32812  0.214658  -0.0587909    -0.703991    -0.0351868    0.0106836     258.636  5.50292       184.773  1.52706      13.1907  -98.2702      
1 1 1 26 14 2  o 0 2.74487  0.36655   -0.389623     0.0950422    0.0183228     -0.00187358   52.3916  70.4913       104.181  85.9291      67.1611  94.8796       
1 1 1 26 14 3  o 0 2.97186  0.773371  -0.142214     0.64088      0.0135422     -0.0120136    56.696   -178.557      134.615  162.26       94.3413  153.483       
1 1 1 26 14 4  o 0 3.27071  0.738619  -0.156403     0.708412     -0.00123394   0.0177493     222.601  43.8689       69.1353  55.7098      110.388  -143.515      
1 1 1 26 14 5  f 1 1.60561  0.463523  -0.0667302    0.33762      -0.0114169    -0.0121199    73.0802  12.3359       27.5536  50.2277      40.8463  167.861       
1 1 1 26 15 0  f 1 3.91152  0.393078  0.332405      0            0             0             252.994  2.08353e-014  128.393  0            36.9313  -180          
1 1 1 26 15 1  o 0 0.921208 0.603613  0.296755      0.0702581    0.0107102     0.0136875     27.6045  20.6642       1.41165  -31.8157     18.1915  -155.807      
1 1 1 26 15 2  o 0 2.97311  1.07301   0.508383      -0.836198    -0.0179925    0.0325896     107.698  -103.855      113.088  -91.8899     41.1676  -69.1387      
1 1 1 26 15 3  o 0 2.32193  0.402495  0.091546      -0.187838    -0.00147481   -0.00403039   72.4197  -63.5209      77.7372  -63.5398     24.4156  -63.5812      
1 1 1 26 15 4  o 0 2.22687  0.654243  -0.0773255    0.13325      -0.00140251   0.00142046    124.945  47.2427       49.6791  53.4694      45.7694  -139.518      
1 1 1 26 16 0  o 0 0        1.78885   0.0124378     0            0             0             32.0652  -2.29744e-013 0        0            20.1194  180           
1 1 1 26 16 1  o 0 2.37995  0.404609  0.063123      -0.187648    -0.00309624   -0.00236488   102.503  -47.8629      63.415   -50.5354     4.58451  172.3         
1 1 1 26 16 2  o 0 3.07578  0.33876   -0.392384     0.297235     0.011798      -0.00649406   97.1744  64.1198       114.842  74.058       51.4232  86.7902       
1 1 1 26 16 3  o 0 2.97545  0.329824  -0.543033     0.124062     0.00337637    -0.0151499    119.925  18.3129       97.8774  24.5804      17.2333  56.6316       
1 1 1 27 0  0  o 0 2        0.637129  0.0846613     0            0             0             77.8618  -6.93579e-015 11.1161  0            56.5625  180           
1 1 1 27 0  1  o 0 12.7554  0.131906  -0.158742     -0.274949    0             0             424.616  60            492.802  60           120.188  60            
1 1 1 27 0  2  o 0 7.26636  0.181212  0.0851919     -0.147557    0             0             239.063  -60           257.942  -60          46.8697  -60           
1 1 1 27 0  3  o 0 0.774597 0.620245  -0.0333776    4.08744e-018 0             0             5.67447  -2.00047e-014 0.757341 -180         5.66067  180           
1 1 1 27 0  4  o 0 2.44949  0.290137  -0.0192578    -0.0333555   0             0             142.019  60            58.5507  60           64.4163  -120          
1 1 1 27 0  5  o 0 1.81659  0.682126  0.0105534     -0.018279    0             0             167.725  -60           42.0106  -60          103.311  120           
1 1 1 27 0  6  o 0 4.62601  0.415015  -0.39985      4.89659e-017 0             0             106.037  -180          165.867  -180         74.0518  180           
1 1 1 27 0  7  o 0 3.37639  0.520496  0.101169      0.17523      0             0             42.7901  60            62.9641  60           25.9936  60            
1 1 1 27 0  8  o 0 4        0.365117  0.138836      -0.240471    0             0             116.264  -60           154.598  -60          58.338   -60           
1 1 1 27 0  9  o 0 5.52268  0.283804  -0.117822     1.44285e-017 0             0             203.09   180           219.948  180          52.8907  -180          
1 1 1 27 0  10 o 0 5.63028  0.326813  0.115475      0.200008     0             0             130.881  60            275.826  60           142.727  60            
1 1 1 27 0  11 o 0 3.06594  0.569064  -0.0512606    0.088786     0             0             50.9074  120           124.565  120          74.531   120           
1 1 1 27 0  12 o 0 0        2         -0.21903      2.68226e-017 0             0             44.0419  -180          0        0            42.546   4.87514e-015  
1 1 1 27 1  0  o 0 8.5557   0.171836  -0.249864     3.05985e-017 0             0             179.058  180           289.982  180          136.53   -180          
1 1 1 27 1  1  o 0 23.1713  0.235029  1.2893        -0.912308    0.175779      0.145395      946.487  -47.2254      1015.76  -46.4998     215.925  -43.8105      
1 1 1 27 1  2  o 0 13.5821  0.377628  -2.7064       -4.82449     1.78278       -0.886361     611.761  -131.596      544.355  -137.889     62.7802  156.514       
1 1 1 27 1  3  o 0 7.691    0.121771  0.0881737     0.208785     -0.0696398    -0.0231271    296.402  -37.2201      327.02   -36.1815     72.9115  -32.5568      
1 1 1 27 1  4  o 0 3.85466  0.143117  0.11285       0.998646     0.581854      0.244367      79.978   65.0776       145.297  56.1102      77.9356  48.184        
1 1 1 27 1  5  o 0 6.16491  0.335512  -1.99622      -0.506408    -0.264527     0.00216829    92.9575  -139.851      350.193  -149.432     271.21   -152.262      
1 1 1 27 1  6  o 0 8.85079  0.175003  1.19094       0.454405     0.176177      0.504749      263.976  59.642        459.402  48.9835      238.128  38.737        
1 1 1 27 1  7  o 0 5.57649  0.169067  -0.102123     -0.405658    0.0192647     0.0443812     196.875  -58.2648      229.892  -64.7173     62.9368  -82.5006      
1 1 1 27 1  8  o 0 4.1254   0.241445  0.124429      0.00686762   0.00282891    -0.0017564    175.238  44.2154       155.04   42.4496      9.75187  14.8811       
1 1 1 27 1  9  o 0 4.89927  0.257852  -0.499819     -0.382044    0.00432509    0.0216884     169.814  58.6489       217.086  62.1458      76.2307  68.6517       
1 1 1 27 1  10 o 0 2.43304  1.09516   -0.218129     -0.12257     0.00109878    -0.00252514   139.529  -176.313      76.8465  -172.933     64.9509  -0.314164     
1 1 1 27 1  11 o 0 2.03288  0.517535  0.416366      0.155964     0.0089396     0.00134385    116.893  48.4877       55.77    38.0563      63.5553  -122.371      
1 1 1 27 2  0  o 0 6.67083  0.189423  0.657884      0            0             0             375.584  -180          255.858  -180         53.3088  5.68915e-014  
1 1 1 27 2  1  o 0 5.39526  0.170195  0.25067       0.724032     0.254917      -0.00433282   271.464  32.2102       161.744  34.4084      65.2238  -153.248      
1 1 1 27 2  2  o 0 3.58921  0.222721  0.040257      -0.0770751   -0.0336488    0.00365385    104.946  43.779        82.3197  39.1532      9.27943  -90.5412      
1 1 1 27 2  3  o 0 7.06784  0.122475  -0.168173     0.0605371    0.0306552     0.024192      292.833  158.511       278.456  159.374      29.4955  166.688       
1 1 1 27 2  4  o 0 8.97625  0.36211   -1.26794      2.14323      0.207424      0.132145      259.026  -176.331      468.64   168.838      260.207  156.218       
1 1 1 27 2  5  f 1 4.22075  0.20695   -0.089639     0.395549     -0.0332437    0.0918582     96.431   -45.7477      100.334  -29.3701     31.6959  17.4494       
1 1 1 27 2  6  o 0 8.14007  0.138541  -1.1149       -0.592596    0.558855      0.145544      266.841  -134.531      399.331  -145.755     177.905  -160.438      
1 1 1 27 2  7  o 0 5.12654  0.234142  0.0449984     1.40211      -0.0349971    0.204632      263.399  90.7404       177.578  86.0267      46.4652  -70.9556      
1 1 1 27 2  8  o 0 2.83425  0.938506  -0.259561     -0.192542    -0.00560755   -0.00277697   20.0437  83.3914       27.5614  160.944      29.0531  -164.482      
1 1 1 27 2  9  o 0 6.17799  0.208467  0.284129      -0.107347    0.00160988    -0.00319462   257.782  -147.726      331.066  -145.587     60.6097  -135.965      
1 1 1 27 2  10 o 0 1.74792  0.538179  0.334828      0.0980688    0.000894067   0.00958688    93.6173  89.096        41.9587  62.205       62.0589  -73.0977      
1 1 1 27 2  11 o 0 2.78815  0.420152  -0.388175     0.311066     -0.00129429   -0.00720361   68.6129  172.097       162.38   165.219      92.7633  159.996       
1 1 1 27 3  0  o 0 19.3985  0.135657  -0.680358     8.33171e-017 0             0             707.99   180           732.223  180          158.808  -180          
1 1 1 27 3  1  < 1 27.1166  0.200211  1.15529       -0.881388    0.166878      0.0557153     ?        ?             758.774  -3.41294     ?        ?             
1 1 1 27 3  2  o 0 5.82638  0.257099  -0.683951     -2.23145     0.799232      -0.116836     417.434  158.418       129.492  -146.28      294.286  -42.7904      
1 1 1 27 3  3  o 0 3.67583  0.226544  -0.223771     0.0341723    0.122916      -0.0401981    296.922  -173.399      11.2017  141.18       242.661  8.48501       
1 1 1 27 3  4  o 0 2.95317  0.24815   0.782885      -2.60363     1.06073       0.155537      108.657  10.6403       133.736  -51.8049     122.475  -93.8742      
1 1 1 27 3  5  o 0 9.63904  0.135973  -0.191227     -1.28247     0.0832371     0.303074      414.145  -130.23       395.633  -127.671     42.9299  -105.937      
1 1 1 27 3  6  o 0 6.8801   0.440743  1.47692       2.76476      0.291099      -0.130061     245.837  42.2985       313.537  47.7145      103.233  58.9572       
1 1 1 27 3  7  o 0 2.24502  0.421002  -0.129572     -0.864626    0.0620273     0.084056      105.633  -140.388      57.2374  -110.184     48.8041  3.45503       
1 1 1 27 3  8  o 0 2.42405  0.5414    -0.162911     -0.502982    0.022299      0.00939606    98.7015  173.538       61.4769  -149.628     50.4303  -53.4181      
1 1 1 27 3  9  o 0 4.39646  0.565861  0.562244      -0.582156    -0.0198697    0.000317382   143.074  -30.628       256.683  -34.6796     105.451  -40.5311      
1 1 1 27 3  10 o 0 0.738452 0.67512   0.0137508     -0.0856322   -6.98501e-005 -0.000868049  63.7184  164.599       43.7924  -19.1481     110.353  -16.8872      
1 1 1 27 3  11 o 0 2.44721  0.481754  0.492595      0.391697     -0.00129546   0.0108711     88.783   -170.793      103.366  176.488      24.0735  118.236       
1 1 1 27 4  0  o 0 18.0083  0.143234  1.41358       0            0             0             837.426  1.08841e-014  667.777  0            1.47697  -4.91011e-012 
1 1 1 27 4  1  o 0 4.02094  0.417117  1.27914       0.652253     -0.0361452    -0.131316     88.4767  100.469       167.318  53.3271      129.681  29.4213       
1 1 1 27 4  2  f 1 8.42765  0.315003  -2.15665      0.0438017    -0.223531     0.15056       184.914  94.1783       455.879  113.735      318.648  122.792       
1 1 1 27 4  3  o 0 8.82099  0.119825  -0.0241343    -0.146003    -0.0140774    0.0028433     329.916  103.777       381.332  104.127      106.116  105.034       
1 1 1 27 4  4  o 0 2.32694  0.330718  0.92374       1.21782      -0.0247223    -0.261405     148.678  60.8911       16.4629  51.499       109.403  -117.702      
1 1 1 27 4  5  f 1 3.48206  0.49611   0.21449       3.08947      0.479315      0.139047      173.441  30.5348       125.423  80.4541      116.066  154.762       
1 1 1 27 4  6  o 0 3.29549  0.759028  -0.651914     1.77314      0.177143      0.00883578    140.398  18.1649       133.094  66.7451      103.876  124.26        
1 1 1 27 4  7  o 0 3.76902  0.465284  -0.303735     1.10946      -0.00695702   0.0714611     73.538   149.397       186.766  128.451      130.855  118.718       
1 1 1 27 4  8  f 1 3.20852  0.309782  0.0448943     -0.0142391   0.000238035   -3.58537e-005 119.225  -31.2757      138.172  -30.8388     13.6098  -26.8351      
1 1 1 27 4  9  o 0 2.47697  0.404672  0.0502907     -0.149274    0.000260256   -0.00202184   56.9985  -98.9553      125.121  -95.9993     65.4803  -93.3003      
1 1 1 27 4  10 o 0 2.13844  0.473887  0.674643      0.257882     0.00320459    0.0281009     73.839   -82.1539      90.8456  -47.9827     51.1091  11.1319       
1 1 1 27 5  0  o 0 10.4785  0.164408  -0.331794     4.06317e-017 0             0             418.796  -180          380.991  -180         54.2662  180           
1 1 1 27 5  1  o 0 6.05267  0.161171  -0.337973     0.509701     -0.261308     0.0184949     234.18   -64.6667      222.435  -72.1315     44.68    -104.966      
1 1 1 27 5  2  o 0 4.12462  0.212589  0.154335      -0.176465    -0.0431237    0.0099972     149.076  -145.729      120.052  -133.072     26.5644  -47.7116      
1 1 1 27 5  3  o 0 10.9715  0.108135  -0.933797     1.84525      0.643268      -0.824292     505.392  135.592       411.122  137.729      16.2777  -114.774      
1 1 1 27 5  4  o 0 2.76622  0.246347  0.38456       0.886363     0.518149      0.153867      123.753  68.6568       59.2456  32.3892      65.8235  -79.1725      
1 1 1 27 5  5  o 0 2.04597  0.403915  0.0849729     -0.176246    -0.00860247   0.00661158    121.464  -88.8199      14.9344  -72.453      84.9346  88.34         
1 1 1 27 5  6  o 0 2.40191  0.431291  0.561272      0.478356     0.0456213     -0.0353741    83.8269  1.96437       71.9471  24.0464      27.186   97.7537       
1 1 1 27 5  7  o 0 0.940329 0.633995  -0.312126     0.307602     0.0643423     -0.00242648   58.8056  153.086       20.2142  -15.854      69.3234  -23.7072      
1 1 1 27 5  8  o 0 3.09036  0.661762  -0.32487      0.083637     -0.000121354  0.0046542     81.9018  39.4107       118.973  55.299       42.5792  89.3121       
1 1 1 27 5  9  f 1 2.31172  0.422978  -0.172229     -0.340527    -0.00731552   0.00611209    95.4625  47.0746       90.7263  42.7408      10.9949  -94.3499      
1 1 1 27 5  10 o 0 2.27515  0.530506  -0.629344     -0.0454822   0.00527525    0.0115372     40.2288  -38.3229      65.6598  -83.0321     46.3445  -123.678      
1 1 1 27 6  0  o 0 10.1735  0.159661  0.33618       0            0             0             600.072  -2.20418e-015 361.878  0            96.1173  180           
1 1 1 27 6  1  o 0 4.22262  0.219795  0.214366      -0.643369    0.0665046     -0.463046     143.268  -106.53       141.539  -76.3832     71.8589  -24.9577      
1 1 1 27 6  2  o 0 11.7506  0.112554  -0.387719     -0.581723    -0.0226491    0.161994      321.671  -139.48       590.109  -138.132     333.973  -137.097      
1 1 1 27 6  3  o 0 1.7426   0.811192  -0.710846     0.0853067    -0.045369     0.027119      105.467  -128.536      38.977   106.491      112.549  67.9495       
1 1 1 27 6  4  o 0 6.89867  0.135943  -1.7323       0.159421     0.46359       -0.262954     235.48   -119.545      325.17   -135.757     154.612  -155.501      
1 1 1 27 6  5  o 0 2.6957   0.576486  0.24821       -1.16256     0.122135      -0.0552428    132.674  5.32112       86.0192  -45.5905     85.2257  -123.106      
1 1 1 27 6  6  f 1 2.05976  0.922555  -0.390676     0.561439     0.034923      0.0198094     45.2075  -0.00300279   45.349   107.086      66.1022  139.02        
1 1 1 27 6  7  o 0 2.52551  1.17555   -0.574537     0.798454     -0.0179861    0.0435034     124.46   75.8979       87.1976  109.296      74.5002  -144.213      
1 1 1 27 6  8  o 0 2.95275  0.353442  0.65898       0.207854     0.0390416     -0.0143375    88.9115  3.72231       174.515  6.41742      82.4362  9.43513       
1 1 1 27 6  9  o 0 3.51169  0.477464  -0.139143     -0.28275     0.00141323    0.00306313    53.2822  -65.7577      236.763  -71.8314     180.955  -73.7153      
1 1 1 27 6  10 o 0 1.81176  0.903751  0.258123      -0.120072    0.00193615    0.00217682    68.4057  -29.0275      61.9047  -27.6312     11.5557  143.471       
1 1 1 27 7  0  o 0 0        1.67332   -0.0206639    2.53051e-018 0             0             28.1986  -180          0        0            21.0014  3.23347e-014  
1 1 1 27 7  1  o 0 2.06358  0.81083   -0.819571     1.63265      0.0868017     0.24014       89.7471  14.2402       98.7442  127.587      140.751  154.141       
1 1 1 27 7  2  o 0 6.89262  0.159507  0.331428      0.684942     0.0331395     0.0861581     188.19   -9.52977      310.956  3.39526      170.909  14.4842       
1 1 1 27 7  3  o 0 5.39438  0.18505   -0.593947     0.836851     0.134449      -0.10101      130.464  58.7794       261.805  71.5146      165.665  79.1674       
1 1 1 27 7  4  o 0 1.55331  0.403978  0.293562      0.154436     0.0651758     -0.0220572    117.669  82.6009       26.1315  -67.9971     115.535  -91.0239      
1 1 1 27 7  5  o 0 1.19333  0.614374  0.0146071     -0.351332    0.0118781     0.014879      80.869   167.165       40.2259  -34.6382     102.931  -21.181       
1 1 1 27 7  6  o 0 3.06932  0.384453  0.269263      0.103797     0.0101827     0.00232772    85.1791  -35.653       104.348  -24.3059     38.9235  -3.81891      
1 1 1 27 7  7  < 0 0        1.36333   -0.074016     -0.0792663   0.00275509    -0.000468879  ?        ?             42.0982  -84.7281     ?        ?             
1 1 1 27 7  8  o 0 2.21991  1.02045   0.106408      0.608311     0.0018508     -0.0219351    77.5106  110.273       104.302  100.49       28.8456  72.3645       
1 1 1 27 7  9  o 0 2.92286  0.376594  0.15003       -0.603464    -0.0099726    -0.0110695    102.953  74.0658       151.66   66.3979      46.5448  48.2953       
1 1 1 27 8  0  f 1 1.78885  0.569866  -0.0391232    4.79106e-018 0             0             56.2635  7.84275e-014  19.0904  0            19.5428  -180          
1 1 1 27 8  1  o 0 9.16485  0.132523  1.5576        -0.711576    0.237009      -0.188681     306.406  0.200102      403.128  -3.88788     184.803  -8.74615      
1 1 1 27 8  2  o 0 3.14524  0.290116  -0.103269     0.00425724   0.00292064    0.00357827    110.385  162.681       93.9217  163.944      13.0005  171.841       
1 1 1 27 8  3  o 0 5.8036   0.177447  -0.514441     0.132976     0.0310722     0.0323826     146.84   174.097       280.133  173.876      169.806  173.732       
1 1 1 27 8  4  o 0 3.7464   0.236299  -0.455628     0.369493     0.064951      0.000902566   174.548  179.826       118.396  171.677      23.7743  44.7279       
1 1 1 27 8  5  f 1 4.69144  0.227177  0.45244       0.26657      0.00297983    0.0288086     149.26   -3.77156      207.575  1.67981      93.4272  8.41358       
1 1 1 27 8  6  o 0 1.47942  0.690383  -0.139692     -0.0938054   -0.00377097   0.000814709   88.7995  -84.8521      24.1634  117.905      111.499  99.9568       
1 1 1 27 8  7  o 0 4.42383  1.8921    1.24137       -0.00354112  -0.0236502    0.0148537     147.475  43.5018       269.077  36.4066      123.961  27.9495       
1 1 1 27 8  8  f 1 4.44037  0.302715  0.569845      -0.438535    0.0151787     -0.0100224    99.6241  121.905       305.907  118.788      205.764  117.269       
1 1 1 27 8  9  f 1 1.61952  0.793184  -0.268833     0.197842     0.00529495    0.00065423    69.3477  -53.0523      17.9208  -74.658      55.1805  133.816       
1 1 1 27 9  0  o 0 3.33167  0.411242  -0.101656     1.24488e-017 0             0             115.508  -1.48413e-014 94.6177  0            16.4965  7.02831e-014  
1 1 1 27 9  1  < 1 0        1.19355   0.056895      0.0792216    0.00852645    0.0151971     ?        ?             58.524   -88.1463     ?        ?             
1 1 1 27 9  2  o 0 3.23807  0.301031  0.261318      -0.313799    0.0223974     0.00384042    131.846  9.73998       94.54    -2.22028     19.6774  -85.6063      
1 1 1 27 9  3  o 0 2.29287  0.356261  -0.0655602    -0.420133    0.0127672     0.0447604     46.8483  48.9782       17.8509  -38.3413     37.9734  -103.015      
1 1 1 27 9  4  o 0 2.51056  0.395621  0.193491      0.153767     0.00677937    -0.00348623   134.901  24.2594       42.9273  27.9561      58.5641  -158.449      
1 1 1 27 9  5  o 0 1.70803  0.825305  0.253607      0.170662     0.00154013    -0.00676795   85.5421  30.8024       7.73566  37.4685      74.423   -149.889      
1 1 1 27 9  6  o 0 0.170176 0.509301  -0.00570291   -0.0254392   5.56847e-005  4.67642e-005  123.582  58.7481       116.704  -121.219     235.598  -121.236      
1 1 1 27 9  7  < 0 0        1.43787   -0.110631     -0.153769    -0.00504236   0.00349193    ?        ?             97.3139  135.804      ?        ?             
1 1 1 27 9  8  < 1 0        1.44544   -0.41544      0.237772     0.0196164     -0.0178789    ?        ?             56.3743  172.296      ?        ?             
1 1 1 27 10 0  o 0 4.84768  0.291378  -0.0917479    1.12355e-017 0             0             205.008  -3.70001e-014 153.276  0            19.2412  2.57744e-013  
1 1 1 27 10 1  o 0 2.7705   0.341789  -0.00182724   -0.0146836   5.44289e-005  4.01033e-005  40.6737  79.0291       41.0555  78.9095      13.6127  78.6685       
1 1 1 27 10 2  o 0 3.15717  0.303892  -0.0455293    -0.170975    -0.00635625   -0.00410291   87.9336  39.2661       83.8345  34.108       23.6644  20.6941       
1 1 1 27 10 3  o 0 1.77415  0.432262  -0.206898     0.0155166    0.0167372     0.0068582     53.8674  -150.346      12.9478  178.528      28.1516  43.4077       
1 1 1 27 10 4  o 0 4.85341  0.20418   -0.479416     0.606465     -0.00384238   -0.0562909    158.064  -171.607      249.735  177.163      111.683  162.578       
1 1 1 27 10 5  o 0 3.95913  0.257805  0.699962      0.319503     -0.00570836   0.0491113     125.558  72.4475       220.534  65.284       107.192  57.5815       
1 1 1 27 10 6  o 0 1.3719   0.661907  0.274585      -0.205017    0.0147405     -0.00270747   39.4461  -6.55339      24.7472  -29.3061     17.2088  -152.762      
1 1 1 27 10 7  o 0 1.09953  0.671857  -0.0481758    0.326735     -0.00805678   -0.0046078    49.8628  -9.2514       21.5535  125.074      65.0626  157.04        
1 1 1 27 11 0  o 0 1.78885  0.630023  -0.0191148    2.34081e-018 0             0             18.2998  -180          9.47973  -180         4.90464  2.02214e-013  
1 1 1 27 11 1  o 0 4.48193  0.242786  0.125447      0.536808     -0.0125663    0.0279898     221.078  71.6748       150.221  72.0735      29.4872  -110.357      
1 1 1 27 11 2  o 0 2.27695  0.402257  0.31132       0.0484499    0.0203175     -0.00898627   112.183  23.6048       41.0184  15.0731      53.805   -149.901      
1 1 1 27 11 3  o 0 4.9569   0.241654  0.314037      -0.225968    -0.0069368    -0.0119611    130.977  -77.4284      258.482  -73.1121     146.066  -69.7747      
1 1 1 27 11 4  o 0 1.21353  0.51188   -0.196642     -0.129608    0.0137604     0.00940204    107.381  -128.403      19.5347  60.7585      112.569  53.1805       
1 1 1 27 11 5  o 0 2.91228  0.420237  0.0219766     -0.367508    0.000986733   -0.00860006   130.506  55.1405       113.85   49.9923      10.6579  -51.4153      
1 1 1 27 11 6  o 0 0.880411 0.61344   0.0456849     -0.244955    -0.00694037   0.0030131     33.1616  -24.4995      12.0803  -163.878     40.3388  166.744       
1 1 1 27 11 7  o 0 2.94025  1.32799   0.0711536     -0.451061    0.00280005    0.00496971    78.0901  160.999       150.623  172.44       79.86    -177.031      
1 1 1 27 12 0  f 1 3.49285  0.41902   -0.36238      4.43773e-017 0             0             69.8555  -180          108.279  -180         56.3833  180           
1 1 1 27 12 1  o 0 1.46991  0.510815  0.0594955     -0.217601    -0.0127958    -0.000566111  50.4188  -139.257      19.2025  -107.512     24.4377  16.3221       
1 1 1 27 12 2  o 0 3.44922  0.904109  0.0136878     0.69239      0.0120961     0.0116878     164.571  -77.4527      120.518  -74.9256     11.0533  73.8128       
1 1 1 27 12 3  o 0 3.24524  0.283137  -0.366619     0.0704986    0.0200432     0.00561471    92.1563  128.342       155.445  133.428      80.9086  138.148       
1 1 1 27 12 4  o 0 2.99947  0.320298  -0.148704     0.356345     -0.00116972   -0.0133531    62.5628  170.889       147.541  161.652      96.0904  156.62        
1 1 1 27 12 5  o 0 1.37092  0.462037  -0.132678     0.0679305    0.00369416    -0.000696777  59.3952  83.6873       11.1839  122.199      43.1056  -105.61       
1 1 1 27 12 6  o 0 1.20991  0.607607  0.199406      -0.201029    0.00781396    -0.0029674    104.924  19.2652       22.9484  -135.325     114.384  -155.796      
1 1 1 27 13 0  o 0 6.42651  0.254268  -0.466036     5.70711e-017 0             0             254.492  180           224.522  180          44.7772  -180          
1 1 1 27 13 1  < 1 0        1.29061   0.0240062     0.294266     0.00313431    0.0206749     ?        ?             81.5275  42.7789      ?        ?             
1 1 1 27 13 2  f 1 2.10338  0.867254  0.489471      -0.424616    0.028711      0.0167083     79.111   -6.99376      68.3663  -19.2942     16.4838  -69.0699      
1 1 1 27 13 3  o 0 2.06671  0.49216   0.18778       0.403398     0.0147297     0.0138507     105.872  -53.3726      47.629   -31.2255     42.7414  101.787       
1 1 1 27 13 4  o 0 3.86741  0.273066  -0.480377     -0.324508    -0.000732249  0.0180509     124.714  -101.056      186.423  -106.343     86.6481  -112.49       
1 1 1 27 13 5  o 0 2.05616  0.937405  0.0514936     -0.166667    0.00154478    -0.000479561  44.8467  -51.1767      62.293   -55.1259     25.199   -60.9794      
1 1 1 27 14 0  o 0 4.09878  0.388372  -0.48608      5.95256e-017 0             0             119.406  4.0609e-014   135.691  0            55.3606  -5.89253e-014 
1 1 1 27 14 1  o 0 3.18122  0.346146  -0.282582     -0.517939    -0.00779679   0.0250623     91.7981  46.9918       122.245  43.6404      58.2983  39.9506       
1 1 1 27 14 2  o 0 2.11264  0.446474  0.200222      0.21513      0.00759793    0.00431303    136      -162.185      31.4808  -171.134     67.6054  21.9687       
1 1 1 27 14 3  o 0 3.58147  0.283387  -0.776113     -0.36305     0.0428658     0.000272288   163.285  -123.878      128.24   -130.226     15.081   166.045       
1 1 1 27 14 4  o 0 1.92674  0.882068  0.0579325     0.0430606    0.000126163   -0.00011554   57.0698  108.591       46.6395  103.752      4.57435  49.2708       
1 1 1 27 15 0  o 0 2.28035  0.578775  -0.0169574    2.07662e-018 0             0             9.46091  -1.51665e-013 9.70988  0            3.67029  2.4957e-013   
1 1 1 27 15 1  o 0 3.81894  0.302752  0.294016      0.439059     -0.00634115   0.0110423     150.245  -116.034      134.108  -115.137     34.3523  -112.529      
1 1 1 27 15 2  o 0 4.58159  0.269     0.314196      0.0216919    0.00337707    0.000838808   214.617  -116.906      152.946  -114.736     7.59739  -67.2619      
1 1 1 28 0  0  o 0 9.26283  0.231643  -0.0426046    5.21738e-018 0             0             359.277  -180          349.502  -180         58.0839  180           
1 1 1 28 0  1  o 0 5.28205  0.218     -0.0327693    -0.0567581   0             0             278.552  -120          201.34   -120         27.3924  60            
1 1 1 28 0  2  o 0 6.23699  0.194271  0.126684      -0.219424    0             0             105.726  120           193.677  120          106.106  120           
1 1 1 28 0  3  o 0 1.84391  0.464114  -0.00591374   7.242e-019   0             0             21.513   1.0406e-013   5.44324  0            12.4822  -180          
1 1 1 28 0  4  o 0 2.81069  0.274307  -0.163987     -0.284034    0             0             220.586  -120          101.172  -120         83.3533  60            
1 1 1 28 0  5  o 0 2.60768  0.570322  -0.0728452    0.126172     0             0             140.828  -60           55.7418  -60          62.3316  120           
1 1 1 28 0  6  o 0 5.53173  0.363924  0.0951295     0            0             0             15.8396  1.24607e-014  58.3142  0            45.0246  -3.67793e-015 
1 1 1 28 0  7  o 0 0.707107 0.943621  -0.0377466    -0.0653791   0             0             59.2913  60            2.19012  60           45.6284  -120          
1 1 1 28 0  8  o 0 1.64317  0.594496  -0.110572     0.191516     0             0             66.376   120           35.4587  120          17.9141  -60           
1 1 1 28 0  9  o 0 4.46094  0.427728  0.211747      0            0             0             273.961  -2.93182e-015 215.644  0            57.8203  180           
1 1 1 28 0  10 o 0 0        1.94936   -0.0480003    -0.083139    0             0             26.4514  60            0        0            25.6403  -120          
1 1 1 28 0  11 o 0 1.09545  0.852887  0.0796548     -0.137966    0             0             1.30192  -60           8.71087  -60          7.46358  -60           
1 1 1 28 1  0  o 0 9.34345  0.163022  -0.316553     3.87653e-017 0             0             329.552  1.63663e-013  348.739  0            84.8101  -5.0932e-013  
1 1 1 28 1  1  < 0 23.768   0.0998914 -0.760674     -0.100429    0.137987      0.0802209     ?        ?             621.721  146.472      ?        ?             
1 1 1 28 1  2  o 0 5.22016  0.423997  5.74388       -1.87009     -1.25902      1.49227       225.446  66.4545       235.088  16.3814      183.516  -34.3207      
1 1 1 28 1  3  o 0 6.24985  0.193388  0.950698      0.629977     0.102577      -0.223105     306.656  83.2404       199.165  74.4043      64.9199  -68.6442      
1 1 1 28 1  4  f 1 4.33149  0.326096  -3.54988      -0.663344    -0.659934     -0.564594     228.444  -145.633      120.457  -170.647     93.5589  67.3503       
1 1 1 28 1  5  o 0 5.91416  0.148264  0.330363      -0.0797712   0.0503303     0.0303599     297.4    55.0207       181.578  47.5485      73.2543  -106.174      
1 1 1 28 1  6  o 0 7.58892  0.384334  1.20155       -1.31008     0.107586      0.0910363     269.01   -69.104       338.206  -62.5372     116.135  -49.6506      
1 1 1 28 1  7  < 0 0        1.49155   0.00384271    -0.148926    -0.0147423    -0.00403806   ?        ?             90.3255  -2.90773     ?        ?             
1 1 1 28 1  8  f 1 3.22209  0.416309  0.522953      0.0321128    9.09653e-005  -0.0195501    123.398  -49.0153      112.97   -35.2814     28.969   18.7799       
1 1 1 28 1  9  o 0 2.70725  0.540493  -0.413919     0.655096     -0.0363215    0.0146038     148.342  111.685       76.7391  116.051      74.0689  -72.8396      
1 1 1 28 1  10 o 0 1.81236  0.527709  -0.135607     -0.00747545  0.000522425   -0.00139442   69.9968  -79.9913      48.0735  -90.4833     23.6313  121.752       
1 1 1 28 1  11 o 0 1.58274  0.604235  -0.391353     0.142532     0.00661504    -0.000699564  54.0266  -54.2041      17.8824  -119.386     48.3729  145.401       
1 1 1 28 2  0  o 0 10.4115  0.165433  -0.258617     3.16704e-017 0             0             363.265  180           383.253  180          96.3336  -180          
1 1 1 28 2  1  o 0 9.14158  0.118052  0.472242      0.639273     -0.321189     -0.172857     389.771  160.281       349.551  149.797      70.6403  96.0725       
1 1 1 28 2  2  o 0 9.99095  0.232593  4.66801       0.0262591    -1.46286      -1.93181      396.771  -51.4687      422.115  -44.8794     107.927  -24.8015      
1 1 1 28 2  3  o 0 7.81233  0.126432  0.177452      -0.0753544   0.0276593     0.014901      285.796  -119.287      330.536  -117.809     95.646   -114.175      
1 1 1 28 2  4  o 0 4.8228   0.212149  -3.43444      0.538897     -0.971145     1.22482       203.83   103.418       163.928  124.513      61.2294  -151.077      
1 1 1 28 2  5  o 0 3.80404  0.423792  -2.77929      -1.70013     -0.00815468   -0.599096     185.584  123.664       172.801  -164.98      191.955  -114.873      
1 1 1 28 2  6  o 0 2.5448   0.427241  -0.41593      0.25298      -0.0207719    0.00472825    108.735  117.335       65.2938  130.019      28.4371  -92.9396      
1 1 1 28 2  7  o 0 2.66471  1.18905   0.863174      -0.412021    -0.0299858    0.0145988     139.979  -38.9083      64.9329  -30.7075     50.8932  130.606       
1 1 1 28 2  8  o 0 4.11823  0.289796  -0.143128     0.263688     -0.00491493   -0.00167887   170.426  141.244       155.887  138.785      17.2536  118.438       
1 1 1 28 2  9  o 0 3.22136  0.716025  0.587863      0.0606103    -0.00252203   -0.0138912    39.9334  -11.5066      201.243  -6.82176     161.243  -5.65594      
1 1 1 28 2  10 < 0 0        1.30384   -0.00569666   -0.26833     -0.0073113    0.00914146    ?        ?             46.4194  -112.993     ?        ?             
1 1 1 28 3  0  o 0 17.8129  0.14478   -1.31508      1.61045e-016 0             0             688.675  4.93933e-015  645.715  0            110.059  -2.40395e-014 
1 1 1 28 3  1  f 1 3.26831  0.264481  0.0102156     -0.281325    -0.0778271    0.12478       254.418  -23.5357      13.858   -112.4       198.761  160.462       
1 1 1 28 3  2  o 0 3.61916  0.454843  3.69163       -0.963217    -0.571333     0.671235      138.07   33.3207       138.708  0.188468     75.9793  -52.9021      
1 1 1 28 3  3  o 0 7.37412  0.22132   3.37287       0.168125     -0.84103      -1.04279      343.276  -8.65047      262.767  -23.1614     70.6917  -120.001      
1 1 1 28 3  4  o 0 4.58752  0.160709  0.94997       0.733944     -0.451944     -0.136025     103.679  127.295       217.08   85.1987      163.919  64.6979       
1 1 1 28 3  5  < 0 0        1.18613   -0.012346     -0.0436506   -0.00161977   -0.00183775   ?        ?             35.1395  -139.126     ?        ?             
1 1 1 28 3  6  o 0 3.40117  0.28604   0.0516384     -0.213098    -0.0125873    0.000401303   89.2969  -145.944      127.248  -137.544     56.53    -126.746      
1 1 1 28 3  7  < 0 0        1.28338   0.090261      0.231304     0.014988      0.0039547     ?        ?             70.1483  -30.7155     ?        ?             
1 1 1 28 3  8  o 0 1.02982  0.655973  -0.173702     -0.219024    -0.00985543   -0.00522492   124.067  -170.401      77.5988  3.46338      205.293  7.28359       
1 1 1 28 3  9  o 0 2.43461  0.382854  -0.430368     0.624226     -0.0442245    -0.0163063    100.283  107.633       112.316  112.827      14.1526  153.557       
1 1 1 28 3  10 o 0 1.9823   0.549049  -0.107156     0.253492     -0.00397722   -9.69861e-005 24.8667  68.8052       58.8693  86.1252      35.4071  98.4737       
1 1 1 28 4  0  o 0 0        1.67332   -0.00485347   5.94359e-019 0             0             154.6    180           0        0            118.206  -4.79641e-014 
1 1 1 28 4  1  o 0 10.3643  0.15093   -2.01327      0.628346     -0.591153     -0.587144     435.011  156.129       397.828  149.533      71.9284  116.684       
1 1 1 28 4  2  o 0 8.42595  0.129725  1.19467       -0.378856    -0.235024     -0.405051     247.748  7.6898        393.59   -2.90657     203.242  -13.1718      
1 1 1 28 4  3  o 0 9.46376  0.117774  -0.178921     0.6948       -0.17667      0.102221      320.794  -72.6582      423.652  -74.8463     164.988  -78.2843      
1 1 1 28 4  4  o 0 4.67725  0.228184  -1.10264      -0.35119     -0.140164     0.135805      152.741  -13.3554      127.202  -49.807      78.9689  -120.211      
1 1 1 28 4  5  o 0 4.91286  0.216063  -1.15168      -0.0962582   0.0871235     -0.174173     168.446  -94.4343      214.69   -108.5       90.1665  -129.791      
1 1 1 28 4  6  o 0 2.44234  0.628355  0.545072      0.0662492    -0.0224618    0.0215163     77.2383  117.385       54.2024  65.7772      51.3969  -6.8675       
1 1 1 28 4  7  o 0 2.77489  0.381383  0.150723      -0.342723    -0.013969     -0.0156076    210.097  -108.358      25.0641  -80.1275     150.79   67.1327       
1 1 1 28 4  8  o 0 0.200894 0.54415   0.181667      0.325404     -0.0254714    -0.00771537   49.2268  -96.315       52.0288  82.1224      101.978  82.8879       
1 1 1 28 4  9  o 0 2.12689  0.468997  -0.133255     -0.230984    -0.00582586   -0.000902767  38.4405  -156.248      82.8431  -146.389     44.4962  -137.657      
1 1 1 28 4  10 o 0 1.96567  0.554646  0.0184437     0.0833651    -6.14844e-005 0.000138429   57.9497  106.188       68.7788  103.575      9.202    86.2677       
1 1 1 28 5  0  o 0 3.20936  0.423321  -0.0619144    7.58207e-018 0             0             299.807  180           108.548  180          116.319  -4.70403e-014 
1 1 1 28 5  1  f 1 1.13936  0.58665   -1.05212      0.494311     -0.0692278    0.152448      86.0897  28.7877       80.5205  -174.975     142.516  -164.372      
1 1 1 28 5  2  o 0 2.95016  0.315284  1.37375       0.375068     -0.305384     0.0393016     110.246  114.676       111.107  33.8154      129.447  -7.39102      
1 1 1 28 5  3  o 0 5.55551  0.283826  0.684801      0.846608     0.128463      0.00899971    107.966  -119.689      145.168  -112.643     60.587   -102.598      
1 1 1 28 5  4  o 0 4.02307  0.200156  -0.0379377    -0.105945    0.00169294    0.00362467    52.0512  -102.618      152.114  -103.356     111.457  -103.625      
1 1 1 28 5  5  o 0 4.85728  0.211434  0.043362      -0.0782568   -0.00246347   -0.00154073   200.039  43.006        187.632  41.778       29.0143  35.0395       
1 1 1 28 5  6  f 1 3.0528   0.89863   1.66381       -0.409352    -0.095805     -0.00904211   37.012   168.637       123.236  -16.2502     152.559  -15.3092      
1 1 1 28 5  7  o 0 0.889344 0.641293  0.127759      0.143351     0.00664895    0.00300725    51.5792  -10.6035      34.6283  157.594      86.9458  164.724       
1 1 1 28 5  8  < 0 0        1.44548   0.181045      -0.380961    -0.0218095    0.0102749     ?        ?             91.7137  -73.6914     ?        ?             
1 1 1 28 5  9  o 0 3.31548  0.356744  -0.867881     1.10135      -0.0657084    -0.0322097    123.04   -159.461      187.441  179.885      81.9357  146.742       
1 1 1 28 6  0  o 0 3.14643  0.405192  0.108534      0            0             0             43.9898  4.76533e-014  40.4262  0            8.13822  -1.89062e-013 
1 1 1 28 6  1  o 0 8.53162  0.15105   -1.17283      0.538981     0.163567      0.0287083     389.084  -173.299      305.55   -176.197     27.9401  153.145       
1 1 1 28 6  2  o 0 4.61327  0.215963  0.0217145     -0.428665    -0.0377161    0.0281521     122.639  160.801       194.924  169.302      105.891  176.591       
1 1 1 28 6  3  o 0 2.47608  0.332813  0.222542      0.135563     -0.00551055   0.0461728     33.8839  -64.4573      32.8726  -22.6281     21.953   28.5315       
1 1 1 28 6  4  o 0 1.94823  0.426097  -0.347268     0.126723     -0.000791736  0.0174023     123.435  31.9158       18.0443  144.097      103.422  -157.382      
1 1 1 28 6  5  o 0 3.98361  0.267453  -0.665529     -0.551811    0.105696      0.0609522     236.727  -140.506      98.0017  -143.554     88.4567  42.8712       
1 1 1 28 6  6  o 0 2.2872   0.437397  0.643927      0.623336     -0.106637     0.0380641     90.0084  107.503       86.5447  60.3984      70.618   -8.62425      
1 1 1 28 6  7  o 0 3.45751  0.340123  -0.298824     -0.885997    -0.0678492    -0.000203678  168.939  -112.666      153.94   -110.776     15.503   48.2183       
1 1 1 28 6  8  o 0 3.49147  0.368857  -0.332238     0.533419     -0.0153281    -0.00328524   81.4321  -46.3136      210.916  -43.7532     128.318  -42.1027      
1 1 1 28 6  9  f 1 1.96778  0.892875  0.460307      0.0269074    -0.000661489  -0.0112166    45.2773  -89.6392      68.6487  -54.8191     40.5081  -14.2472      
1 1 1 28 7  0  o 0 4.06202  0.329185  -0.0746436    9.1409e-018  0             0             260.555  -180          135.518  -180         44.0741  9.72111e-015  
1 1 1 28 7  1  o 0 3.11613  0.311938  -0.378586     -0.0593171   0.0636538     -0.0198413    177.019  23.098        57.2367  23.952       68.2156  -157.619      
1 1 1 28 7  2  o 0 3.67916  0.268633  -0.207664     0.358874     -0.0279559    0.0114397     135.187  -9.45053      118.56   0.617064     27.7905  38.7754       
1 1 1 28 7  3  o 0 4.5052   0.214549  0.867079      0.511446     0.194831      0.147374      159.534  -1.61778      182.434  9.25541      69.6356  27.9989       
1 1 1 28 7  4  o 0 4.66929  0.229703  -0.240934     -0.738488    -0.0328742    -0.0611629    175.986  -129.494      183.347  -124.23      51.6329  -110.48       
1 1 1 28 7  5  o 0 1.29349  0.533673  -0.0647548    0.118614     -0.00406474   -0.000486412  43.6145  -2.73898      22.6801  159.56       64.2432  171.099       
1 1 1 28 7  6  o 0 2.93245  1.27292   -0.40898      0.0788461    -0.00262707   0.00857775    82.2738  -137.764      119.565  -153.156     46.3945  179.077       
1 1 1 28 7  7  o 0 2.14486  0.495156  0.278369      0.26797      -0.0121509    0.00704032    83.2815  -2.8817       84.9997  8.8276       17.2682  84.5153       
1 1 1 28 7  8  o 0 1.64469  0.540526  0.0555127     -0.67125     -0.0339042    0.00471241    100.546  -10.2814      38.9927  -67.8951     87.2615  -168.112      
1 1 1 28 8  0  o 0 2.64575  0.474056  0.003608      0            0             0             27.5309  -180          22.3058  -180         3.84082  180           
1 1 1 28 8  1  < 0 0        1.21432   -0.197736     0.113333     0.0482613     0.0133229     ?        ?             202.914  161.439      ?        ?             
1 1 1 28 8  2  o 0 5.52633  0.193185  -0.145375     -0.0551377   0.00156528    0.00342268    241.887  -122.103      188.889  -123.182     17.456   -133.864      
1 1 1 28 8  3  o 0 3.7082   0.253489  0.401291      -0.31385     -0.0410264    -0.0342649    167.106  -129.41       111.123  -114.193     32.5646  -13.004       
1 1 1 28 8  4  o 0 1.26839  0.454268  0.0482312     -0.0527002   0.000325018   -0.00189999   100.951  -16.656       42.6404  165.902      136.625  164.142       
1 1 1 28 8  5  o 0 1.5702   0.780632  -0.0296101    -0.711717    0.0304381     0.0186621     53.3474  -173.814      45.092   -79.9415     70.2203  -33.6569      
1 1 1 28 8  6  o 0 0.901981 0.667297  0.0374479     0.407825     -0.0321336    -0.0112063    25.9361  68.6507       6.65215  116.492      20.9184  -124.984      
1 1 1 28 8  7  o 0 1.73205  0.559535  -0.0944421    -0.292681    -0.00598182   0.00525429    37.2699  147.774       35.6249  -172.428     24.5573  -100.438      
1 1 1 28 8  8  o 0 2.72071  0.466406  0.182732      -0.0296088   0.00107778    0.000708112   54.3881  -54.1048      143.146  -49.4328     88.8874  -46.5675      
1 1 1 28 9  0  o 0 1.84391  0.591152  -0.0395446    4.84265e-018 0             0             66.924   -180          26.6483  -180         16.8881  2.30996e-013  
1 1 1 28 9  1  o 0 4.9346   0.363036  -0.164139     0.483416     0.0102643     -0.0190485    194.051  -69.8956      165.238  -69.1924     34.939   -66.5682      
1 1 1 28 9  2  o 0 0.813654 0.624245  0.0885207     0.131887     -0.00657581   -0.00246842   85.318   112.253       43.4307  -63.1976     102.367  -65.8186      
1 1 1 28 9  3  o 0 4.71408  0.206015  0.777034      0.226557     0.0606198     0.021962      200.147  34.9008       201.305  30.2613      28.2165  -0.343325     
1 1 1 28 9  4  o 0 0.286096 0.524177  0.126022      -0.1095      -0.00228921   -0.0132561    52.5819  6.16418       45.1135  -171.862     93.0029  -172.878      
1 1 1 28 9  5  o 0 1.84376  0.481049  0.0923368     0.141367     0.00190403    0.00194956    104.827  -101.309      33.2328  -96.1021     62.9314  75.9436       
1 1 1 28 9  6  o 0 2.58577  0.759003  -0.578195     0.0621577    0.00110799    0.018921      103.694  -144.771      113.249  -154.139     23.358   163.115       
1 1 1 28 9  7  o 0 2.16147  0.510779  0.287671      0.128384     0.00348816    0.0047829     71.9956  -53.1942      84.2204  -38.9993     24.0055  6.15989       
1 1 1 28 10 0  o 0 6.64831  0.239406  0.437725      0            0             0             184.264  2.61335e-014  252.701  0            108.086  -3.49656e-014 
1 1 1 28 10 1  < 0 0        1.2734    -0.163089     -0.0343277   0.00459959    0.0118858     ?        ?             59.5717  89.8655      ?        ?             
1 1 1 28 10 2  o 0 1.00803  0.617195  -0.12404      -0.0597047   0.0056001     -0.00111375   83.7433  170.136       41.9907  -14.0596     112.088  -11.4343      
1 1 1 28 10 3  o 0 3.78267  0.246183  -0.139216     0.27595      -0.00820102   -0.00949712   160.738  162.416       161.983  159.527      27.2067  144.952       
1 1 1 28 10 4  o 0 2.97498  0.292492  -0.003945     0.293449     -0.00566317   0.00988207    56.4971  -89.618       133.103  -90.0262     83.9937  -90.2649      
1 1 1 28 10 5  f 1 1.95488  0.347633  -0.29728      0.121503     0.0144241     -0.00991975   100.828  174.917       52.4431  169.777      36.8127  2.25098       
1 1 1 28 10 6  < 0 0        1.37649   -0.00480914   0.11972      -0.00307233   0.000370628   ?        ?             85.0761  -45.1416     ?        ?             
1 1 1 28 10 7  < 0 0        1.44255   0.0319995     -0.105827    -0.000873574  -0.00033105   ?        ?             83.2978  84.2576      ?        ?             
1 1 1 28 11 0  f 1 2.21359  0.57523   0.129423      0            0             0             97.2061  4.42371e-014  75.0372  0            4.18365  -7.4919e-013  
1 1 1 28 11 1  f 1 2.06654  0.774674  0.0640087     0.0410361    0.000506093   -0.000308124  83.6109  -174.744      53.9458  -176.624     9.42712  16.0771       
1 1 1 28 11 2  f 1 2.44602  0.406934  -0.514274     0.0315694    0.00438215    0.0271465     113.874  -119.159      79.4092  -133.354     22.8579  119.261       
1 1 1 28 11 3  o 0 2.1417   0.418768  0.484482      -0.0455148   0.00919849    0.0238672     92.7234  -8.87144      68.0642  -6.65633     8.31087  152.674       
1 1 1 28 11 4  o 0 5.80731  0.175813  0.503938      -0.436574    0.00603042    -0.0159986    220.418  46.5384       285.347  43.0047      100.413  36.4508       
1 1 1 28 11 5  o 0 2.33092  0.423458  0.330086      -0.336649    -0.0175885    0.000851513   88.93    -137.918      86.4516  -119.832     27.2836  -58.273       
1 1 1 28 11 6  o 0 2.13015  0.497533  -0.201979     -0.115474    0.00303453    0.00110331    49.6266  80.362        61.6855  93.3612      20.9408  121.861       
1 1 1 28 12 0  o 0 2.30217  0.561844  0.223147      0            0             0             47.3454  -2.84524e-013 61.4057  0            27.7773  3.44456e-013  
1 1 1 28 12 1  o 0 3.18221  0.336646  -0.445259     -0.244154    -0.00536839   0.0210699     220.308  -155.56       58.3389  -154.133     104.189  23.6416       
1 1 1 28 12 2  o 0 2.5114   0.389021  -0.454983     0.0659436    0.0231019     0.00374117    106.475  75.5027       81.4311  89.0741      19.2323  172.011       
1 1 1 28 12 3  o 0 3.01717  0.392765  -0.0210194    0.244991     -0.00127259   -0.00373245   174.257  111.743       82.1946  110.383      55.457   -66.2397      
1 1 1 28 12 4  < 0 0        1.21432   0.113088      0.144028     -0.00354672   0.00776219    ?        ?             19.39    -33.7946     ?        ?             
1 1 1 28 12 5  o 0 1.89773  0.415624  -0.224251     0.0229639    0.0037712     -0.00230908   69.8421  -125.004      51.8522  -137.265     13.6515  108.763       
1 1 1 28 13 0  o 0 1.26491  0.735089  0.124447      0            0             0             4.634    1.13617e-012  6.98501  0            3.83846  -9.31368e-013 
1 1 1 28 13 1  o 0 2.53078  1.12732   -0.623277     0.36878      -0.0272862    0.00396319    82.6423  148.82        91.6789  148.28       33.3179  147.332       
1 1 1 28 13 2  o 0 3.47763  0.331422  -0.382789     -0.0579428   0.00638894    0.00661779    137.859  76.2378       131.441  81.495       32.2234  98.1851       
1 1 1 28 13 3  o 0 2.31384  0.393434  0.29727       0.123648     0.0071988     0.00299383    53.3073  -31.959       79.9122  -20.0502     41.2051  -8.36849      
1 1 1 28 14 0  o 0 2.75681  0.524888  0.135961      0            0             0             141.106  180           87.2456  180          4.00202  -1.2915e-013  
1 1 1 28 14 1  o 0 1.15111  0.649772  -0.522741     -0.118087    -0.0158951    0.0219071     71.7616  -143.896      5.67858  129.137      48.371   42.8361       
1 1 1 29 0  0  o 0 3.44964  0.479377  0.144562      0            0             0             188.632  -180          60.363   -180         85.8635  5.29477e-013  
1 1 1 29 0  1  o 0 12.494   0.150255  -0.058224     -0.100847    0             0             422.818  60            458.157  60           125.473  60            
1 1 1 29 0  2  o 0 3.25576  0.370115  0.0572826     -0.0992164   0             0             230.618  120           107.864  120          75.6161  -60           
1 1 1 29 0  3  o 0 3.36155  0.360753  -0.0145621    1.78328e-018 0             0             127.758  -2.1716e-014  88.3951  0            14.081   180           
1 1 1 29 0  4  o 0 2.84605  0.286006  0.0420629     0.0728551    0             0             98.322   60            62.1159  60           17.2105  -120          
1 1 1 29 0  5  o 0 1.48324  0.819946  0.0524594     -0.0908624   0             0             51.9043  -60           14.4583  -60          27.5819  120           
1 1 1 29 0  6  o 0 3.937    0.452834  -0.660474     8.0882e-017  0             0             235.371  -180          148.845  -180         34.9788  1.58459e-014  
1 1 1 29 0  7  o 0 2.72029  0.663011  0.123252      0.213479     0             0             45.1734  60            62.2518  60           26.9621  60            
1 1 1 29 0  8  o 0 2.79285  0.41647   -0.0463024    0.0801981    0             0             190.907  -60           100.666  -60          48.2032  120           
1 1 1 29 0  9  o 0 1.87083  0.644828  0.0892307     0            0             0             11.4341  -4.08175e-014 20.7286  0            9.8776   4.484e-014    
1 1 1 29 0  10 o 0 2.50998  0.532022  0.167194      0.289589     0             0             147.782  60            116.372  60           22.8913  -120          
1 1 1 29 1  0  o 0 7.4364   0.196452  -0.492968     6.03691e-017 0             0             208.382  -3.40575e-014 263.297  0            103.589  5.25085e-014  
1 1 1 29 1  1  o 0 8.18889  0.131083  -0.233293     0.200506     0.0498988     -0.00342739   253.759  10.9695       361.353  13.0932      163.835  15.6577       
1 1 1 29 1  2  o 0 7.05865  0.141811  -1.32255      1.14668      1.10192       0.356918      237.334  52.0011       293.492  50.8277      106.084  48.7533       
1 1 1 29 1  3  o 0 3.73089  0.322744  -2.55975      -0.258555    -0.546716     -0.43759      227.147  130.294       85.8737  170.594      128.53   -75.3092      
1 1 1 29 1  4  o 0 7.7      0.568603  4.70616       -9.69638     1.49936       1.01452       412.572  -22.2746      244.296  -46.4256     148.212  -159.868      
1 1 1 29 1  5  o 0 8.2348   0.133361  0.280762      -0.250148    -0.00202584   -0.0148598    306.58   -142.377      343.28   -138.873     96.2577  -129.788      
1 1 1 29 1  6  f 1 4.58148  0.309528  0.391779      -0.740496    0.0496124     -0.0490824    115.305  43.2345       210.549  23.5049      130.191  10.1449       
1 1 1 29 1  7  o 0 3.45733  0.729619  -1.01791      -0.893823    0.0626673     -0.0533432    148.463  -142.749      119.075  -143.032     2.18174  -158.374      
1 1 1 29 1  8  o 0 1.13845  0.603771  0.0983438     -0.13333     0.000960019   -0.00632093   12.2892  79.4209       14.2596  -73.0836     25.6204  -85.6895      
1 1 1 29 1  9  o 0 2.1161   0.478897  -0.455031     -0.352891    -0.0193938    0.0144423     46.1     165.395       90.4437  -172.092     52.1993  -153.043      
1 1 1 29 1  10 o 0 1.90874  0.461959  -0.0266046    -0.0841813   -0.000335729  0.000182924   116.814  -154.23       37.578   -149.625     75.093   23.4678       
1 1 1 29 2  0  o 0 12.0955  0.155083  1.55279       0            0             0             454.338  -180          426.544  -180         82.7598  180           
1 1 1 29 2  1  o 0 7.70532  0.350441  -1.22711      -1.71318     -0.0401657    -0.20443      353.558  -117.022      259.254  -117.429     13.5737  70.7656       
1 1 1 29 2  2  f 1 9.61347  0.124115  -0.887525     -0.653817    -0.234002     0.0152698     389.096  -157          379.684  -153.235     82.4874  -139.403      
1 1 1 29 2  3  f 1 5.60287  0.382439  -1.0797       0.362698     -0.0281387    0.0519668     116.674  -28.0479      157.427  -39.3742     70.2928  -54.1419      
1 1 1 29 2  4  f 1 2.27717  0.899242  -0.535566     -1.57535     0.114477      -0.0578163    104.036  -164.913      72.6894  -92.3477     92.0341  -33.8101      
1 1 1 29 2  5  f 1 4.15319  0.215707  1.09          -0.519012    0.0181897     -0.420025     284.752  18.8409       87.3246  -13.8512     152.84   -143.184      
1 1 1 29 2  6  o 0 0.717137 0.557724  -0.363731     0.309896     0.131803      0.0151653     76.5644  133.756       38.4886  -50.1444     98.7173  -47.764       
1 1 1 29 2  7  o 0 3.3229   0.287054  0.200869      0.747118     -0.0313318    0.0636132     169.274  60.4922       94.6285  65.4988      40.8513  -131.171      
1 1 1 29 2  8  o 0 3.82558  0.28941   0.232391      -0.126245    0.00520184    -0.00249563   190.163  -13.6491      145.254  -15.2282     44.3983  171.524       
1 1 1 29 2  9  o 0 1.8135   0.46362   -0.110982     0.00715352   0.00112332    0.000651498   67.9924  -129.019      50.3508  -135.76      17.6285  70.5703       
1 1 1 29 2  10 o 0 1.0457   0.647296  0.0183515     -0.0682366   -0.000369799  3.97784e-006  41.2165  -67.0711      7.80708  116.378      48.2745  113.486       
1 1 1 29 3  0  o 0 2.96648  0.423777  -0.0670853    8.21531e-018 0             0             165.663  -180          81.9335  -180         41.6139  1.76169e-013  
1 1 1 29 3  1  o 0 7.11583  0.149927  0.437139      0.0242572    0.109953      0.073802      297.291  3.16653       251.726  4.34489      25.7057  14.7844       
1 1 1 29 3  2  o 0 4.02443  0.229927  -0.210112     0.871321     0.23867       -0.214705     196.055  56.0721       93.6192  79.4837      75.9282  -153.263      
1 1 1 29 3  3  o 0 4.03859  0.311989  0.656807      1.97464      0.135661      -0.378079     191.143  130.299       127.97   94.747       87.765   8.27325       
1 1 1 29 3  4  o 0 2.9396   0.243557  0.574981      0.394878     0.231454      0.0692188     81.9083  -14.0268      110.63   9.06347      58.1826  34.193        
1 1 1 29 3  5  o 0 1.96279  0.407522  -0.0675684    -0.25715     0.0106682     0.008492      131.965  125.02        13.546   -113.63      110.472  -60.9909      
1 1 1 29 3  6  o 0 1.4471   0.482574  0.394342      0.226595     0.0678697     -0.00206307   105.234  -108.205      46.7053  52.8387      128.04   64.99         
1 1 1 29 3  7  o 0 4.13175  0.30521   -0.626975     0.582201     0.0475032     -0.0210731    145.75   81.1676       212.015  95.5019      80.0428  122.146       
1 1 1 29 3  8  f 1 2.83294  0.565642  -0.0413898    0.408271     -0.00194858   0.00792289    95.5637  83.4078       147.357  85.1525      54.899   88.0953       
1 1 1 29 3  9  f 1 3.8438   0.283924  0.299495      -1.0007      -0.0378158    0.00266953    79.9746  32.0495       251.46   14.1871      178.698  6.47868       
1 1 1 29 4  0  o 0 1.58114  0.620785  0.178206      0            0             0             191.119  7.35708e-014  36.0007  0            104.202  -180          
1 1 1 29 4  1  o 0 5.04723  0.326198  1.03565       -2.80366     0.595867      0.101475      89.1878  32.6286       267.483  -35.1856     250.005  -49.5512      
1 1 1 29 4  2  f 1 6.97566  0.308432  -0.710012     0.0852368    0.00212983    0.0426682     157.222  -106.496      353.56   -113.569     240.628  -116.919      
1 1 1 29 4  3  o 0 5.79223  0.381252  0.488995      -0.300464    -0.0214819    0.000548207   155.466  -100.541      273.64   -94.099      158.118  -89.3446      
1 1 1 29 4  4  o 0 2.06612  0.318428  -0.280078     -0.101996    0.0587585     -0.00548066   200.134  -147.8        25.7149  43.1505      178.217  33.7703       
1 1 1 29 4  5  o 0 1.7884   0.456573  0.339492      0.28085      0.0454706     -0.0113471    58.6078  -125.869      23.9082  37.2288      68.7116  48.3252       
1 1 1 29 4  6  o 0 3.15068  0.329263  -0.59196      -0.693243    0.0722622     0.0303959     44.3145  -114.482      130.27   -126.478     96.3994  -130.794      
1 1 1 29 4  7  o 0 0.937715 0.609378  0.0404858     0.380325     -0.00784498   0.0237098     78.3352  63.2137       41.0289  -124.29      118.911  -119.369      
1 1 1 29 4  8  o 0 2.63933  0.436873  0.0826087     0.103449     -0.000264019  0.0010948     73.6245  76.0508       133.899  74.3204      61.1061  72.2568       
1 1 1 29 4  9  f 1 1.26188  0.61124   0.00620237    0.0392968    -7.45159e-005 8.10077e-005  28.8425  -46.6414      2.10874  18.5175      27.6506  129.39        
1 1 1 29 5  0  o 0 1        0.732051  -0.064994     7.95921e-018 0             0             28.9349  -180          5.71279  -180         14.3318  3.8551e-013   
1 1 1 29 5  1  o 0 1.75391  0.812025  0.00792222    -0.404326    0.0133455     -0.0042684    129.727  -68.1846      8.93285  149.759      99.4152  114.983       
1 1 1 29 5  2  o 0 2.54918  0.362678  -0.165734     0.233403     0.0111304     0.00144253    92.5694  139.809       58.7193  136.066      9.53848  -16.4973      
1 1 1 29 5  3  o 0 4.54619  0.212886  -0.909623     0.340645     0.213842      0.0222252     131.609  101.338       193.854  118.926      104.932  135.272       
1 1 1 29 5  4  o 0 4.22649  0.196242  1.26243       -0.593929    0.32409       0.137982      148.161  58.5385       180.061  24.7661      106.891  -10.9203      
1 1 1 29 5  5  o 0 2.09519  0.446399  -0.0713589    -0.0241044   -7.81608e-006 -0.000679908  127.486  98.5869       10.6803  121.276      88.5512  -84.0796      
1 1 1 29 5  6  o 0 1.54859  0.524765  0.354358      -0.132387    0.000447106   -0.026137     70.49    -16.1939      6.50916  -39.1532     63.1179  166.112       
1 1 1 29 5  7  o 0 2.1524   0.4717    -0.489307     -0.215576    0.0152602     0.0320233     79.9378  126.539       85.5521  149.431      33.288   -144.809      
1 1 1 29 5  8  o 0 5.2251   0.27588   -0.663692     0.567333     0.0137236     -0.014897     202.98   153.083       295.369  151.865      93.9679  149.252       
1 1 1 29 5  9  o 0 2.49405  0.402937  0.42055       -0.736464    -0.0274824    -0.00280039   86.2831  20.4205       123.515  -4.55501     57.7695  -44.1025      
1 1 1 29 6  0  o 0 3.98748  0.345007  0.217548      0            0             0             108.655  1.41088e-014  124.258  0            50.5741  -2.05557e-014 
1 1 1 29 6  1  < 0 0        1.23474   0.127465      0.102689     0.0216353     0.00245044    ?        ?             82.5471  16.7682      ?        ?             
1 1 1 29 6  2  o 0 1.84491  0.733067  0.305908      -0.393757    -0.0268194    0.034184      47.6287  66.3002       27.5662  -41.1803     49.8463  -81.8641      
1 1 1 29 6  3  o 0 1.50295  0.69211   0.192718      -0.30781     -0.00282431   0.0177051     79.6028  49.0331       26.0375  -90.6535     79.9222  -118.799      
1 1 1 29 6  4  o 0 2.89119  0.331722  -0.84488      0.0971319    -0.0225222    -0.0947687    133.044  154.78        79.6177  160.655      21.9156  -47.0513      
1 1 1 29 6  5  o 0 0.316061 0.559838  0.323873      0.070361     0.0431993     0.013516      9.10851  153.356       12.563   -12.5913     21.0951  -18.3295      
1 1 1 29 6  6  o 0 2.71895  0.388383  -0.307418     0.0784349    0.00730494    0.00376388    94.1139  -153.191      130.734  -158.5       42.2297  -169.835      
1 1 1 29 6  7  f 1 1.24685  0.629993  0.0521714     0.288352     -0.00875899   0.00254703    53.4549  -141.116      15.5993  81.7712      63.5373  48.5022       
1 1 1 29 6  8  o 0 0.972504 0.689623  0.22605       0.14696      -0.00414601   0.00598009    23.4598  -140.908      20.7188  35.3195      43.9907  37.3163       
1 1 1 29 7  0  o 0 1.92354  0.592798  -0.00522831   6.40262e-019 0             0             70.4899  180           28.8081  180          17.8547  -1.2265e-013  
1 1 1 29 7  1  o 0 4.922    0.210486  -0.159761     0.581556     -0.0275906    0.0324171     133.706  149.83        201.342  142.864      111.334  137.161       
1 1 1 29 7  2  o 0 3.03496  0.491317  -0.201148     -0.445623    -0.00128819   -0.0154281    157.076  -47.7157      68.0541  -65.5806     49.9668  156.981       
1 1 1 29 7  3  o 0 2.46771  0.350008  -0.408558     0.180667     0.0429356     -0.0212267    147.343  -162.273      37.024   172.752      74.1206  29.9021       
1 1 1 29 7  4  o 0 1.45947  0.698753  0.327206      -0.158179    -0.000843741  0.0112826     24.7811  -19.1387      16.2063  -27.8883     7.21655  -179.164      
1 1 1 29 7  5  o 0 3.8333   0.270465  0.308548      -0.0240827   0.00942176    -0.00023876   64.6603  122.86        231.245  117.737      171.925  115.962       
1 1 1 29 7  6  f 1 2.13939  0.950672  -0.477411     -0.716588    -0.021769     -0.0416081    90.4578  -26.7119      83.456   -64.3233     54.0162  -136.163      
1 1 1 29 7  7  < 0 0        1.3962    -0.160486     -0.198805    0.0079289     0.00371644    ?        ?             110.549  125.676      ?        ?             
1 1 1 29 7  8  o 0 2.22674  0.530063  -0.200054     0.214319     0.00301205    -0.00190733   58.4062  128.467       98.8583  129.589      41.0912  131.166       
1 1 1 29 8  0  o 0 0        1.70294   0.0058485     0            0             0             35.47    5.92969e-014  0        0            22.8503  -180          
1 1 1 29 8  1  o 0 0.541195 0.623169  0.285272      -0.0612229   0.0168555     -0.0299804    49.9084  70.7665       37.0583  -99.5052     78.229   -104.642      
1 1 1 29 8  2  f 1 1.79403  0.485788  -0.121444     -0.0975092   -0.00432168   0.000525658   36.9331  -104.699      13.7662  -133.06      20.0996  94.2873       
1 1 1 29 8  3  o 0 1.54145  0.593612  -0.0146353    -0.256504    -0.0016968    0.0172631     37.0966  -11.4299      16.4289  -114.445     39.7056  -167.655      
1 1 1 29 8  4  o 0 2.25547  0.347106  -0.339097     0.434789     0.0359364     -0.0464493    72.9097  115.428       94.0886  121.518      30.7248  134.385       
1 1 1 29 8  5  o 0 2.02254  0.461394  0.239653      -0.0170704   -0.000148856  -0.00603765   57.6804  47.1647       68.5656  36.6651      19.5606  7.46492       
1 1 1 29 8  6  o 0 2.49651  0.924329  0.043548      -0.227824    0.00190081    -0.00218021   82.1696  115.21        103.689  117.465      27.3627  123.785       
1 1 1 29 8  7  o 0 2.52239  0.457919  0.061603      0.44218      -0.00809983   -0.00233824   76.4077  172.755       116.959  157.404      50.3641  134.819       
1 1 1 29 9  0  o 0 5.25357  0.305322  -0.258787     3.16912e-017 0             0             178.51   180           198.222  180          59.0025  -180          
1 1 1 29 9  1  o 0 1.23094  0.596898  -0.0955451    0.625627     0.0212        0.040184      18.3744  61.8761       22.4046  108.398      16.268   149.826       
1 1 1 29 9  2  o 0 1.97875  0.931727  0.51778       -0.275261    0.00650291    0.0282321     134.643  34.9365       32.7378  2.99136      83.9126  -133.15       
1 1 1 29 9  3  o 0 0.713476 0.640045  -0.0178278    0.157128     -0.00225104   -0.00558938   86.101   58.5263       46.1784  -124.751     118.539  -122.75       
1 1 1 29 9  4  o 0 1.58148  0.430316  0.0124127     -0.0152862   -6.61638e-005 -6.40684e-005 47.9666  75.1029       21.857   72.6183      19.701   -102.14       
1 1 1 29 9  5  o 0 2.17812  0.466732  0.0722201     0.0842385    0.00075831    0.000755202   58.807   38.3506       78.981   39.3801      26.6536  41.4025       
1 1 1 29 9  6  o 0 2.7086   0.436301  0.126578      -0.341238    -0.00524678   0.00200363    98.209   -114.706      122.665  -108.288     34.7849  -91.4895      
1 1 1 29 10 0  f 1 1.26491  0.691071  -0.110413     1.35212e-017 0             0             33.3809  1.78404e-014  8.39257  0            15.8723  -180          
1 1 1 29 10 1  o 0 2.39913  0.383923  0.354927      -0.0911764   0.00764722    -0.0177287    71.9922  -10.7565      89.6877  -12.0057     34.6009  -13.996       
1 1 1 29 10 2  o 0 2.0629   0.443423  0.0852349     -0.187774    0.00270447    -0.0051053    87.6667  -125.307      57.2017  -116.839     15.3716  21.466        
1 1 1 29 10 3  o 0 0.693268 0.620781  -0.288165     0.101984     0.0132213     0.0123866     134.264  -108.222      79.7985  77.0532      189.405  73.9979       
1 1 1 29 10 4  o 0 0.935876 0.599742  0.0148953     -0.11185     0.000302553   0.00190226    46.9579  24.8418       18.0404  -142.297     57.3334  -151.142      
1 1 1 29 10 5  o 0 1.93456  0.375149  -0.0165845    0.246115     -0.00554762   -0.00391836   64.5046  -66.7485      44.9248  -59.9894     12.625   88.4926       
1 1 1 29 11 0  f 1 0        1.84391   -0.0769693    9.4257e-018  0             0             20.4453  -3.47866e-013 0        0            14.3136  180           
1 1 1 29 11 1  o 0 0.882686 0.634924  0.106051      0.164844     0.00285846    0.00645248    58.2331  5.54852       18.4404  171.068      61.0506  -178.783      
1 1 1 29 11 2  o 0 3.03967  0.736834  0.518857      -0.166637    0.00262805    0.0118412     76.749   104.161       129.44   91.1377      73.3888  80.7418       
1 1 1 29 11 3  o 0 3.0359   0.318458  0.126564      -0.374411    -0.0127283    -0.00744248   154.371  -17.2746      97.859   -23.692      27.3181  -173.672      
1 1 1 29 11 4  f 1 0.731454 0.605435  -0.181791     -0.0319293   0.00518109    -0.00208501   31.5393  158.647       11.927   -34.759      37.1253  -25.6245      
1 1 1 29 12 0  o 0 1.58114  0.680669  -0.0284285    3.48137e-018 0             0             46.7252  180           26.7473  180          5.12603  -5.56217e-013 
1 1 1 29 12 1  o 0 2.43576  1.09535   0.0452768     0.175349     0.000275143   -0.00217493   98.223   49.6658       74.6018  52.1401      5.76696  83.6156       
1 1 1 29 12 2  f 1 2.47577  1.09811   0.424688      0.0912462    0.000251593   -0.0102442    41.9069  179.242       52.2007  170.246      22.6547  158.124       
1 1 1 29 12 3  o 0 2.186    0.412338  -0.413732     -0.407133    0.0240953     0.00911794    68.3828  -141.641      77.7028  -140.245     25.5055  -137.384      
1 1 1 29 13 0  o 0 0.707107 0.770486  -0.0994904    1.21837e-017 0             0             43.5727  -180          7.00654  -180         21.405   7.05725e-014  
1 1 1 30 0  0  o 0 6.84836  0.300469  -0.110905     1.35815e-017 0             0             484.926  -1.98666e-013 235.525  0            123.244  180           
1 1 1 30 0  1  o 0 4.53872  0.269891  0.156231      0.270601     0             0             110.993  60            139.362  60           55.8074  60            
1 1 1 30 0  2  o 0 13.2439  0.145628  0.503855      -0.872703    0             0             581.424  -60           470.929  -60          27.3214  -60           
1 1 1 30 0  3  o 0 3.06594  0.388011  0.0557073     0            0             0             8.58162  180           0.139549 0            6.75465  -1.17941e-013 
1 1 1 30 0  4  o 0 7.61577  0.148094  -0.436233     -0.755577    0             0             366.367  60            275.689  60           8.91149  -120          
1 1 1 30 0  5  o 0 3.03315  0.538449  -0.181392     0.31418      0             0             128.561  120           104.595  120          7.96488  120           
1 1 1 30 0  6  o 0 0        1.97484   0.0295831     0            0             0             19.2083  180           0        0            14.4891  -3.02378e-014 
1 1 1 30 0  7  o 0 0        2.07364   -0.0165131    -0.0286015   0             0             42.9187  60            0        0            32.4258  -120          
1 1 1 30 0  8  o 0 7.23187  0.361712  -0.428115     0.741517     0             0             273.377  120           330.119  120          72.4778  120           
1 1 1 30 0  9  o 0 1.30384  0.742857  -0.00450741   5.5198e-019  0             0             183.156  -1.04888e-015 55.3958  0            113.126  180           
1 1 1 30 0  10 o 0 0        1.76068   0.0142399     0.0246643    0             0             83.3177  60            0        0            76.2246  -120          
1 1 1 30 1  0  o 0 8.79204  0.183787  -0.288963     3.53866e-017 0             0             389.739  1.47995e-013  300.093  0            14.6581  -2.8819e-012  
1 1 1 30 1  1  o 0 2.13203  0.370651  0.28301       -0.511196    -0.0109153    0.103603      82.6056  -127.712      32.6824  -43.2629     66.9579  23.2226       
1 1 1 30 1  2  f 1 6.93721  0.143969  -1.56296      2.08546      -1.49568      0.952811      215.266  114.622       314.307  94.5207      172.383  75.8199       
1 1 1 30 1  3  o 0 3.87777  0.306842  -1.04597      -0.115263    -0.103697     0.0379009     12.4209  5.75262       114.04   -172.042     123.579  -172.212      
1 1 1 30 1  4  o 0 4.92247  0.242587  -0.924451     0.370523     -0.0962897    -0.086018     243.828  -152.991      155.185  -162.61      39.0553  68.6136       
1 1 1 30 1  5  o 0 5.34188  0.170916  0.171098      0.0341131    0.0039544     0.000738372   225.29   -79.9114      197.638  -77.8055     28.6244  -65.2135      
1 1 1 30 1  6  o 0 2.22468  0.609439  0.585912      0.313934     0.0291293     -0.0398379    72.6099  -38.3118      55.2177  6.02596      41.6323  73.7242       
1 1 1 30 1  7  o 0 4.00188  0.373953  0.709892      -0.176146    0.0250716     -0.0306598    120.976  175.197       181.261  177.99       66.4221  -177.161      
1 1 1 30 1  8  o 0 2.89273  0.56992   0.039472      -0.767303    -0.00837296   0.0261695     98.6098  -114.693      146.002  -108.038     55.3847  -96.905       
1 1 1 30 1  9  o 0 1.49937  0.5608    0.16454       0.704413     -0.0354866    -0.022624     105.779  158.545       32.5709  71.5897      102.694  -2.99065      
1 1 1 30 1  10 o 0 0.995397 0.661879  0.0618953     -0.0479523   5.42921e-005  -0.000207536  4.73805  -157.159      4.43813  -22.2521     8.19668  0.290909      
1 1 1 30 2  0  o 0 4.28952  0.304048  -0.0410556    5.0277e-018  0             0             223.27   -180          139.717  -180         21.8824  6.82675e-013  
1 1 1 30 2  1  o 0 4.37116  0.220341  -0.142134     0.165129     -0.012113     -0.0497837    175.685  148.712       123.131  145.04       10.5848  16.8709       
1 1 1 30 2  2  o 0 2.05725  0.39059   0.258162      -0.179776    -0.0768802    -0.0833019    181.449  -97.3047      46.9388  59.2598      180.694  76.7652       
1 1 1 30 2  3  f 1 2.86141  0.310602  0.233004      0.413549     0.0632161     0.0395058     146.436  -39.3391      63.9676  -11.0565     58.2987  109.336       
1 1 1 30 2  4  o 0 0.429937 0.530676  0.286331      -0.541158    -0.074127     0.14161       63.8109  -24.862       38.8329  163.461      86.2023  158.877       
1 1 1 30 2  5  o 0 2.20602  0.365889  -0.596477     -0.238294    0.0383693     -0.0602627    54.9008  -47.1297      42.6549  -126.415     53.6547  -175.766      
1 1 1 30 2  6  o 0 0.407506 0.598444  -0.15678      0.322156     -0.00995396   0.0176485     118.772  -3.46097      87.9664  173.496      178.459  175.039       
1 1 1 30 2  7  o 0 4.29225  0.226338  -0.333833     -1.1688      -0.0940354    0.0664789     254.064  -82.5937      135.105  -93.3344     114.006  110.165       
1 1 1 30 2  8  o 0 1.45094  0.570992  -0.291453     0.257991     -0.0103127    -0.00565927   30.6297  -21.1436      14.5024  120.342      41.3574  146.244       
1 1 1 30 2  9  o 0 0.950937 0.780574  0.244908      0.00712467   0.000428663   -0.00380006   59.971   -27.8204      17.1688  136.102      73.7901  148.485       
1 1 1 30 3  0  f 1 6.08276  0.25235   -0.393051     4.81333e-017 0             0             326.2    -5.9551e-015  202.395  0            18.278   180           
1 1 1 30 3  1  o 0 4.52075  0.217589  -0.951785     0.358535     0.110925      0.139794      114.859  73.8282       185.53   90.5312      110.599  102.653       
1 1 1 30 3  2  < 0 0        1.19355   0.125695      0.231056     -0.053009     0.0745644     ?        ?             85.8606  44.4307      ?        ?             
1 1 1 30 3  3  o 0 7.09991  0.173996  0.630305      -0.450581    0.0576583     -0.00475474   191.426  81.0867       336.361  75.0016      197.737  70.6983       
1 1 1 30 3  4  o 0 2.9516   0.612466  0.844558      0.555199     -0.0342559    -0.0233102    82.0487  56.4218       107.003  44.7099      48.8967  30.0486       
1 1 1 30 3  5  o 0 3.81594  0.452644  0.535962      0.410145     -0.026555     -0.00585674   88.9605  115.265       156.522  95.2011      96.3031  81.3755       
1 1 1 30 3  6  o 0 1.48336  0.670187  0.143878      0.0711239    -0.00231517   0.00539316    63.8162  -44.1126      16.0512  98.9558      74.3335  128.432       
1 1 1 30 3  7  < 0 0        1.29865   0.153742      0.109446     0.00765665    0.00256129    ?        ?             68.9247  22.0225      ?        ?             
1 1 1 30 3  8  o 0 4.79043  0.618181  0.796438      -1.76482     -0.0675399    0.0321505     119.474  -90.5753      316.439  -84.6972     203.09   -81.3933      
1 1 1 30 3  9  o 0 2.75065  1.20315   -0.999281     1.08767      -0.0589463    0.0384068     69.6699  119.379       161.246  124.15       94.3138  127.554       
1 1 1 30 4  0  o 0 4.04969  0.35098   -0.221201     2.70885e-017 0             0             114.505  180           127.209  180          49.7852  -180          
1 1 1 30 4  1  f 1 2.95409  0.828477  -1.35821      -0.347615    -0.046358     -0.069003     128.682  -92.0058      89.9491  -134.311     64.2218  158.507       
1 1 1 30 4  2  o 0 2.07364  0.384661  0.19424       -0.368322    -0.02958      -0.0937633    145.738  -123.524      19.7131  -39.4657     103.33   45.5377       
1 1 1 30 4  3  o 0 2.10924  0.382128  0.185111      -0.356862    0.0375537     -0.0499152    74.9844  -40.6408      37.5569  -51.7911     18.9537  161.891       
1 1 1 30 4  4  o 0 5.36459  0.167399  -0.534876     -1.12261     -0.199499     0.166563      170.206  -67.0734      235.984  -82.246      119.271  -98.2609      
1 1 1 30 4  5  o 0 3.08062  0.498588  -0.703243     -0.755498    0.0691343     -0.0138013    135.889  -113.171      115.328  -125.508     28.7593  125.783       
1 1 1 30 4  6  o 0 1.89735  0.84753   0.251794      0.417339     -0.0302854    -0.0126727    78.3567  47.839        62.4871  53.9445      12.9053  -163.158      
1 1 1 30 4  7  o 0 2.39852  0.41964   0.108832      -0.570255    -0.0164692    0.0152673     108.122  -94.2943      94.1688  -90.5427     10.6205  50.2447       
1 1 1 30 4  8  o 0 2.97834  0.392971  0.300968      -0.0310472   0.00498696    -0.00026527   82.6333  -14.8663      163.146  -13.7403     83.5464  -12.6672      
1 1 1 30 5  0  o 0 2.98329  0.421982  -0.266568     3.26441e-017 0             0             45.3781  -2.68656e-015 22.0259  0            8.10158  180           
1 1 1 30 5  1  o 0 2.69733  0.350962  -0.0733109    -0.56737     0.0218804     0.0616798     86.0292  54.9407       40.6419  23.3645      32.1766  -83.653       
1 1 1 30 5  2  o 0 1.5177   0.488874  -0.115125     0.496097     -0.0659176    0.0748479     148.241  93.3653       28.4148  -87.2353     132.259  -86.7638      
1 1 1 30 5  3  o 0 2.43371  0.347397  0.284141      -0.162227    0.00962843    -0.0387978    121.964  59.7014       38.1403  31.4152      56.7978  -101.744      
1 1 1 30 5  4  o 0 4.02279  0.189085  0.120408      -0.0341475   0.00339154    -0.00117912   96.6983  104.704       194.847  101.594      106.691  99.0173       
1 1 1 30 5  5  o 0 1.02879  0.615738  0.0499022     0.0606789    -0.000913247  -0.000111196  67.3176  58.1976       36.5126  -121.09      99.3153  -121.541      
1 1 1 30 5  6  o 0 2.2323   1.06759   -0.0434298    -0.256756    0.00351576    0.00186612    60.4597  107.123       74.9949  114.161      20.2983  134.039       
1 1 1 30 5  7  o 0 3.24753  0.394676  0.883622      0.0131396    0.0153729     0.030763      142.998  32.9678       148.546  26.0065      21.4339  -24.1673      
1 1 1 30 5  8  o 0 3.57977  0.368325  -0.108128     -0.894032    -0.0201204    0.00897024    119.833  -100.195      201.426  -99.5586     85.4494  -98.695       
1 1 1 30 6  0  o 0 1.58114  0.666045  0.0133314     0            0             0             143.006  2.70761e-014  34.3834  0            58.5929  -180          
1 1 1 30 6  1  o 0 2.95132  0.331116  0.0225072     0.458539     -0.00683692   -0.0263257    136.386  -136.636      59.2739  -154.17      39.209   70.4576       
1 1 1 30 6  2  o 0 1.75039  0.617292  0.0594203     0.0331334    0.00108836    -0.000253187  71.8931  115.705       3.57037  22.5464      49.8699  -60.1961      
1 1 1 30 6  3  o 0 1.3052   0.61391   -0.0527567    0.228465     0.00221441    0.00824115    66.0016  -157.88       29.0012  46.9469      85.431   30.3147       
1 1 1 30 6  4  o 0 1.82317  0.38446   -0.0409341    -0.23334     -0.0102204    0.00968596    98.6151  -70.457       10.8249  -117.563     82.1489  115.083       
1 1 1 30 6  5  o 0 1.32388  0.600568  -0.388812     -0.327992    0.0319708     -0.0039269    46.846   -157.042      25.1832  -142.202     19.2027  3.33227       
1 1 1 30 6  6  < 0 0        1.36753   -0.120526     0.268277     -0.0129203    -0.000566003  ?        ?             34.5525  -69.4849     ?        ?             
1 1 1 30 6  7  o 0 2.788    0.501446  -0.129959     -0.426928    -0.00683877   -0.00420197   22.6473  -152.906      116.807  -135.062     96.6045  -131.159      
1 1 1 30 7  0  o 0 2.32379  0.5449    -0.00839612   1.02819e-018 0             0             148.882  2.93398e-014  76.1459  0            41.8143  -180          
1 1 1 30 7  1  o 0 0.928003 0.622207  -0.0281837    -0.27086     -0.00444872   0.022472      102.124  -115.72       51.7481  61.1143      135.31   63.0699       
1 1 1 30 7  2  o 0 1.14991  0.603032  0.0809618     0.21427      -0.00166098   -0.00746311   27.6571  143.411       13.9238  10.3275      34.3818  -19.3847      
1 1 1 30 7  3  o 0 3.70651  0.405425  0.931985      -0.104065    0.0110493     0.0530174     64.3397  -27.121       216.817  -20.4865     162.652  -18.2616      
1 1 1 30 7  4  o 0 1.855    0.502877  -0.17919      -0.352869    -0.00976173   -0.0162998    68.2856  129.078       45.7107  157.165      28.8668  -99.1256      
1 1 1 30 7  5  o 0 1.90525  0.583891  -0.00894613   -0.0225834   -0.000250116  -0.00014645   97.8908  -79.999       44.2047  -80.8132     43.4248  100.83        
1 1 1 30 7  6  o 0 1.79325  0.814861  -0.175154     -0.0903196   -0.00310583   0.000463727   87.0721  53.3717       34.9137  61.6346      45.6715  -132.936      
1 1 1 30 7  7  o 0 3.66887  0.361685  0.814495      0.139661     0.0203303     0.000640357   106.049  41.1265       213.674  34.9058      114.884  29.4997       
1 1 1 30 8  0  o 0 0        1.76068   0.0869543     0            0             0             8.07026  180           0        0            6.09402  -9.58167e-014 
1 1 1 30 8  1  o 0 2.75146  0.809993  -0.588713     0.514274     0.0204135     0.0226281     99.7633  -177.958      110.374  171.126      36.862   147.501       
1 1 1 30 8  2  o 0 1.98448  0.427912  -0.106739     -0.121046    0.00326073    0.00374324    54.9563  -51.8107      53.4367  -62.2962     12.6964  -101.802      
1 1 1 30 8  3  o 0 2.59981  0.353182  0.198429      -0.00114991  0.00695868    0.000889936   83.7911  119.779       103.507  114.45       34.6746  103.682       
1 1 1 30 8  4  o 0 1.97695  0.361426  -0.0169302    0.0806297    -0.00192946   0.000595775   136.697  -117.462      26.0085  -121.705     91.2064  63.7464       
1 1 1 30 8  5  o 0 1.97268  0.47102   -0.499766     -0.176833    0.0154529     0.0198791     45.309   97.7079       56.9043  138.805      37.521   -176.8        
1 1 1 30 8  6  f 1 2.45925  0.451626  0.424979      0.890755     -0.0494468    -0.00987571   61.232   32.2764       124.763  48.3998      73.8285  60.2653       
1 1 1 30 9  0  o 0 4.72229  0.326097  -0.0560429    6.86305e-018 0             0             209.333  180           171.107  180          17.7681  -180          
1 1 1 30 9  1  o 0 1.51153  0.523723  -0.356894     0.0561477    0.00634603    -0.0225247    25.3105  152.747       27.6064  164.537      9.61324  -171.324      
1 1 1 30 9  2  o 0 1.64438  0.777812  -0.142366     0.126542     0.00440352    0.000515894   83.0484  67.8749       24.904   86.3454      42.4538  -122.836      
1 1 1 30 9  3  o 0 1.46475  0.516722  0.418137      0.173064     0.0100341     0.0284227     78.1961  -107.819      15.7705  -20.2864     64.8109  58.1113       
1 1 1 30 9  4  o 0 1.37554  0.501742  0.381523      -0.110663    -0.00221244   -0.0241872    42.1527  -90.4218      23.3464  -31.6543     30.6334  48.9108       
1 1 1 30 9  5  o 0 2.14581  0.353907  0.0589503     -0.130239    0.000721858   -0.00204649   72.3742  -57.1197      74.4403  -58.0088     11.921   -62.68        
1 1 1 30 10 0  o 0 1.87083  0.644828  0.109182      0            0             0             35.7347  -2.62246e-015 34.3503  0            9.04746  7.33417e-015  
1 1 1 30 10 1  o 0 2.04284  0.459032  -0.275838     -0.52264     0.0163766     0.033617      46.8573  -154.826      67.6925  -138.418     35.9454  -122.688      
1 1 1 30 10 2  o 0 2.63431  0.38041   -0.0458463    0.225458     -0.00112093   -0.00393455   117.789  -86.2814      83.1103  -87.0285     6.9153   102.734       
1 1 1 30 10 3  o 0 1.70294  0.457663  0.0535735     -0.253471    -0.0082278    -0.0038913    88.3231  159.722       24.5599  -176.584     48.3316  -32.0614      
1 1 1 30 10 4  o 0 0.575282 0.59429   0.0325352     -0.0771176   0.000584427   -0.000297111  84.9356  -133.658      53.6066  44.5549      122.992  45.5634       
1 1 1 30 11 0  o 0 0        1.78885   -0.0075581    9.2557e-019  0             0             22.43    180           0        0            15.2961  -1.46309e-013 
1 1 1 30 11 1  o 0 1.0149   0.64019   0.0213372     0.241874     -0.00223567   -0.00763193   58.6444  -6.4673       16.3732  144.976      56.5847  165.582       
1 1 1 30 11 2  o 0 2.14516  0.452833  -0.222839     0.0858477    -0.000608519  -0.00464474   106.427  78.1937       51.7573  88.8284      29.2848  -120.842      
1 1 1 31 0  0  f 1 8.44393  0.269562  0.604918      0            0             0             360.321  -180          273.745  -180         23.5369  180           
1 1 1 31 0  1  o 0 9.75705  0.176149  0.25246       0.437274     0             0             354.129  -120          327.022  -120         72.3463  -120          
1 1 1 31 0  2  o 0 1.51658  0.632063  0.00843376    -0.0146077   0             0             50.7325  120           7.2996   120          29.7606  -60           
1 1 1 31 0  3  o 0 0        1.70294   0.0174812     0            0             0             11.1081  180           0        0            7.9047   -5.50238e-014 
1 1 1 31 0  4  o 0 2.34521  0.456427  -0.029496     -0.0510886   0             0             31.1279  -120          25.9066  -120         3.54222  -120          
1 1 1 31 0  5  o 0 7.29383  0.114718  0.29215       -0.506019    0             0             278.687  120           255.662  120          53.9823  120           
1 1 1 31 0  6  f 1 0        2.12132   -0.235023     2.87811e-017 0             0             37.1013  -180          0        0            26.5746  9.92034e-015  
1 1 1 31 0  7  o 0 10.7564  0.25423   0.611829      1.05972      0             0             392.192  60            474.366  60           117.274  60            
1 1 1 31 0  8  o 0 2.88097  0.7175    -0.0671926    0.116381     0             0             16.6407  -60           25.6802  -60          10.8328  -60           
1 1 1 31 0  9  o 0 0        1.67332   0.040731      0            0             0             48.7824  180           0        0            43.4539  -3.69403e-015 
1 1 1 31 1  0  f 1 2.88097  0.458873  -0.17041      2.08685e-017 0             0             202.856  -180          91.9525  -180         42.3716  3.88111e-013  
1 1 1 31 1  1  o 0 5.86626  0.185379  -0.0397631    -0.593689    -0.0892973    -0.00617348   182.394  15.0517       238.442  9.20402      114.461  2.798         
1 1 1 31 1  2  o 0 3.15293  0.282416  -0.664011     0.359957     0.195835      0.0281948     106.271  155.881       104.968  159.891      31.2245  169.478       
1 1 1 31 1  3  o 0 3.01462  0.722647  -0.71456      -0.780865    0.0319624     -0.043773     100.298  -132.916      99.7018  -133.703     28.4865  -135.672      
1 1 1 31 1  4  o 0 2.24232  0.311888  0.585492      0.333983     0.229253      0.106818      108.734  178.82        17.7889  116.13       71.7983  11.5374       
1 1 1 31 1  5  o 0 1.97001  0.477537  -0.384786     -0.205943    0.00330536    -0.0146922    146.542  -120.088      9.64792  144.37       107.847  65.0202       
1 1 1 31 1  6  o 0 3.14157  0.6302    -0.0218349    -0.952459    0.00328201    -0.0544053    97.988   128.262       100.229  167.752      64.9116  -130.836      
1 1 1 31 1  7  o 0 3.94145  0.388529  -0.822676     -0.322531    0.0385555     -0.00597077   237.863  -169.696      124.576  -168.21      90.0013  8.24702       
1 1 1 31 1  8  < 0 0        1.54919   0.172696      0.0458853    0.00341789    -0.000807761  ?        ?             54.3622  -178.759     ?        ?             
1 1 1 31 1  9  o 0 2.32148  1.11816   0.92502       -0.639275    -0.0453255    0.00153803    128.746  -86.5415      74.4208  -61.1436     59.1234  60.7833       
1 1 1 31 2  0  o 0 2.94958  0.463624  0.359407      0            0             0             264.23   -3.4005e-015  94.7362  0            81.0178  180           
1 1 1 31 2  1  o 0 8.35937  0.138848  0.7352        0.0288382    0.0425877     0.0400231     394.572  -138.716      271.331  -136.843     9.17978  -63.6141      
1 1 1 31 2  2  o 0 1.6298   0.480572  0.248247      -0.221318    -0.0238059    0.0108039     107.409  -88.8511      13.178   41.5101      83.8261  84.2691       
1 1 1 31 2  3  o 0 1.87559  0.413227  0.134522      -0.0241019   -0.00302826   -0.00319567   80.537   31.6347       10.7191  4.12438      47.7456  -142.413      
1 1 1 31 2  4  o 0 4.11369  0.206386  0.281528      0.716988     -0.128412     -0.0350723    113.998  146.32        166.734  125.225      94.9972  107.144       
1 1 1 31 2  5  o 0 2.84858  1.21547   -0.37765      -1.55927     0.0579783     -0.11747      133.908  -63.2723      82.0154  -89.5854     43.5694  173.284       
1 1 1 31 2  6  o 0 2.11665  0.385515  -0.761814     -0.874518    0.11582       0.00780945    178.253  172.269       43.4549  -86.6839     177.499  -21.6343      
1 1 1 31 2  7  o 0 2.57061  0.509669  0.3159        0.298092     -0.00872243   0.00814404    52.4203  61.513        125.115  57.0332      77.6385  54.282        
1 1 1 31 2  8  < 0 0        1.30333   -0.092473     0.189272     -0.00929501   -0.00657461   ?        ?             33.4974  37.2513      ?        ?             
1 1 1 31 3  0  f 1 8.61394  0.204071  -0.167844     2.05543e-017 0             0             413.296  -180          273.957  -180         6.71401  180           
1 1 1 31 3  1  o 0 4.81088  0.263686  -0.259557     0.254611     0.0140066     0.00272332    227.055  76.3427       141.54   80.6591      15.981   -145.463      
1 1 1 31 3  2  o 0 5.60984  0.193481  -1.1442       0.089503     0.0624451     0.126125      188.382  15.2894       218.044  21.8331      90.1978  31.2804       
1 1 1 31 3  3  o 0 1.99611  0.398141  -0.770472     0.0478555    0.0223624     -0.190908     184.395  152.55        14.9371  -50.831      143.591  -29.8158      
1 1 1 31 3  4  o 0 2.81544  1.2251    1.14708       -1.00086     0.0401722     0.0944122     49.7228  7.1613        114.13   -27.6009     87.2572  -41.0637      
1 1 1 31 3  5  < 0 0        1.20654   0.0436208     0.0719775    0.000149515   0.00354282    ?        ?             122.53   50.4855      ?        ?             
1 1 1 31 3  6  o 0 3.2055   0.373062  1.25441       -0.34644     -0.0361933    -0.102287     52.6494  -52.3353      197.79   -37.7473     152.206  -33.2304      
1 1 1 31 3  7  o 0 2.90028  0.598865  -0.868787     -0.375602    0.0252865     -0.0249981    145.418  146.764       111.224  162.187      39.4429  -81.8227      
1 1 1 31 3  8  o 0 1.98614  0.489397  0.211776      0.0482556    0.00192095    0.000122627   88.6775  98.4496       58.2811  86.5409      28.0419  -56.1542      
1 1 1 31 4  0  o 0 0        1.70294   0.176789      0            0             0             152.742  7.9058e-014   0        0            98.7786  -180          
1 1 1 31 4  1  o 0 4.67069  0.32102   0.40043       -1.34915     0.115054      -0.102811     184.521  -12.1154      161.022  -29.4905     57.1563  -69.3926      
1 1 1 31 4  2  o 0 4.18488  0.232969  -0.183728     -0.320353    -0.00716879   0.0212894     152.467  -68.5819      143.075  -74.9508     41.3174  -91.1716      
1 1 1 31 4  3  o 0 3.47714  0.278938  -0.179778     -0.342696    -0.0171152    -0.00530556   145.551  -79.1032      128.077  -85.8745     15.1053  -167.727      
1 1 1 31 4  4  o 0 0.938231 0.546034  -0.111528     0.282948     0.015583      -0.0262386    61.91    143.602       29.1829  -24.5913     83.8598  -32.3145      
1 1 1 31 4  5  < 0 0        1.27591   0.481378      -0.145339    -0.0103693    -0.0590131    ?        ?             144.912  -77.3538     ?        ?             
1 1 1 31 4  6  o 0 5.37837  0.221275  -0.815797     -0.343392    0.0195503     0.0100395     205.391  -174.879      280.886  -173.263     95.2497  -170.11       
1 1 1 31 4  7  o 0 1.67266  0.52684   -0.179063     0.355245     -0.00844851   0.00452834    81.7007  -165.3        36.3626  161.147      49.2325  38.7939       
1 1 1 31 5  0  o 0 9.86914  0.198614  0.0129653     0            0             0             435.613  -180          303.689  -180         26.9408  180           
1 1 1 31 5  1  o 0 3.27253  0.300026  0.259925      0.0742683    0.00926529    0.0100081     77.8505  96.7505       115.377  84.1191      55.0499  69.472        
1 1 1 31 5  2  o 0 3.2009   1.39263   -0.494952     -0.185654    -0.00303257   -0.0094215    93.4393  14.0892       87.78    9.89282      11.0556  -21.4317      
1 1 1 31 5  3  f 1 2.76165  0.326578  -0.498251     0.496774     0.0286169     -0.0856157    122.478  127.746       87.8279  133.303      18.6272  -79.4178      
1 1 1 31 5  4  o 0 0.566769 0.551083  0.13293       0.12121      0.00837055    0.00960573    48.5405  22.037        28.9012  -160.848     70.8376  -159.14       
1 1 1 31 5  5  o 0 2.52983  1.09522   0.235981      0.241222     -0.00276725   -0.00470562   95.8911  107.639       103.094  99.1062      23.0078  65.9676       
1 1 1 31 5  6  o 0 2.67109  0.71115   0.0675351     -0.677329    0.00489982    -0.0235075    118.054  -63.2527      107.568  -68.0985     9.10292  -149.835      
1 1 1 31 5  7  o 0 2.85811  0.696891  -0.437734     -0.455456    0.0123477     -0.000886821  9.90567  163.638       99.3976  -154.338     92.8102  -150.558      
1 1 1 31 6  0  o 0 0        1.78885   0.02991       0            0             0             1.52567  180           0        0            1.1851   -6.6875e-012  
1 1 1 31 6  1  o 0 4.23972  0.354992  0.985838      -0.730581    0.0981061     0.010703      247.43   4.53757       114.487  -9.61611     91.995   -157.746      
1 1 1 31 6  2  < 0 0        1.21292   -0.0365091    -0.0456636   -0.000869941  0.00241552    ?        ?             93.8688  166.021      ?        ?             
1 1 1 31 6  3  o 0 3.45531  0.295094  -0.00399386   -0.322494    -0.0113623    0.00543763    98.5784  -74.6867      173.252  -76.3955     91.2099  -77.9339      
1 1 1 31 6  4  o 0 2.64687  0.298964  -0.223247     0.0971334    0.00593395    0.00198089    84.2895  -11.5638      108.079  -9.76889     36.1065  -6.18394      
1 1 1 31 6  5  o 0 2.31035  0.418504  0.260434      0.0307971    0.00622085    0.000907103   105.369  -10.4255      78.279   -7.6873      14.7024  154.839       
1 1 1 31 6  6  o 0 2.9717   0.393544  -0.302485     -0.145093    0.000517057   0.00397686    38.8644  175.241       146.595  -178.395     111.94   -176.412      
1 1 1 31 7  0  o 0 0        1.89737   -0.0355438    4.35271e-018 0             0             71.2862  -3.69165e-014 0        0            52.9561  180           
1 1 1 31 7  1  o 0 3.4093   0.579987  0.115505      -0.217235    0.00318113    -0.00111657   152.195  167.41        123.722  170.315      8.99651  -148.405      
1 1 1 31 7  2  o 0 2.7176   0.368484  0.0870863     0.0725009    0.00213408    0.00182589    62.1589  -117.405      108.653  -115.901     59.2801  -114.647      
1 1 1 31 7  3  o 0 2.12192  0.864997  -0.563115     0.364518     0.0189632     0.0216819     30.206   115.183       78.6207  133.376      55.6511  141.357       
1 1 1 31 7  4  o 0 3.25251  0.256793  0.389316      0.27575      -0.00309023   0.0194722     111.23   68.6913       151.981  64.0213      58.9996  56.585        
1 1 1 31 7  5  o 0 1.97719  0.475189  0.378652      0.0625853    0.00442201    0.0115469     82.3642  132.794       51.637   112          29.5284  -8.82816      
1 1 1 31 8  0  o 0 0.316228 0.724549  0.0227143     0            0             0             61.1487  -180          1.28503  -180         42.9374  1.3408e-013   
1 1 1 31 8  1  o 0 2.5174   0.404617  0.447969      -0.0106399   0.00652418    0.0146569     111.013  31.8428       80.8072  25.3419      9.64437  -76.6029      
1 1 1 31 8  2  < 0 0        1.28216   -0.0917163    -0.159229    -0.0081184    0.00117629    ?        ?             66.8565  101.462      ?        ?             
1 1 1 31 8  3  o 0 0.784342 0.643525  -0.315236     0.136936     0.00382027    0.0118816     16.8318  -110.966      13.321   121.1        24.1133  94.865        
1 1 1 31 8  4  o 0 1.78447  0.483348  -0.0376758    0.450906     0.00270206    -0.0184992    22.8858  -175.458      37.7885  128.398      31.4508  98.3561       
1 1 1 31 8  5  o 0 1.69705  0.534153  0.0634719     0.389115     -0.00729232   0.00849827    92.8689  165.704       30.9778  129.933      57.1427  4.17899       
1 1 1 31 9  0  f 1 4.31277  0.362417  -0.0244824    2.99813e-018 0             0             223.487  1.86959e-014  149.682  0            4.73504  -180          
1 1 1 31 9  1  o 0 0.884995 0.647898  0.105467      0.202676     0.00565261    0.00381578    92.9054  60.9722       31.4947  -119.11      99.301   -119.054      
1 1 1 31 9  2  o 0 2.80389  0.352281  0.152928      -0.0316393   0.00234432    -0.00066209   69.5019  151.158       110.493  149.721      57.8987  148.416       
1 1 1 31 9  3  o 0 2.63405  0.367454  -0.223488     -0.0774002   -0.000515226  0.00264589    26.113   -93.024       77.3005  -107.815     57.7422  -113.008      
1 1 1 31 10 0  o 0 1.70294  0.659383  -0.0309938    3.79552e-018 0             0             48.582   -180          31.3418  -180         1.61078  3.63204e-012  
1 1 1 31 10 1  o 0 2.5788   0.379141  0.452687      -0.216288    0.0120364     -0.01288      93.3401  -95.9773      87.5282  -82.2942     28.1415  -48.6072      
1 1 1 31 10 2  o 0 2.6569   0.739437  0.486569      -0.00498619  -0.00232867   -0.00998065   132.3    -79.4111      76.8413  -66.9485     27.7068  63.8263       
1 1 1 32 0  0  o 0 2.28035  0.720353  -0.111632     1.36705e-017 0             0             141.709  180           43.5051  180          48.0123  -7.94899e-013 
1 1 1 32 0  1  o 0 7.88036  0.210052  0.318779      0.552141     0             0             506.038  60            251.951  60           82.0802  -120          
1 1 1 32 0  2  o 0 2.84605  0.437022  0.192254      -0.332994    0             0             116.319  -60           85.481   -60          7.32315  -60           
1 1 1 32 0  3  o 0 4.44972  0.304326  0.373359      0            0             0             27.5564  -180          11.7009  -180         7.08217  3.90093e-014  
1 1 1 32 0  4  o 0 3.28634  0.391675  -0.278372     -0.482155    0             0             116.583  60            76.3671  60           4.01091  -120          
1 1 1 32 0  5  f 1 5.42218  0.152418  -0.229094     0.396802     0             0             380.859  120           182.684  120          78.2052  -60           
1 1 1 32 0  6  o 0 7.56968  0.316732  -0.0410483    5.0268e-018  0             0             241.371  -9.94447e-016 320.415  0            109.477  1.91609e-015  
1 1 1 32 0  7  o 0 0        2.25832   -0.0895797    -0.155157    0             0             36.6767  60            0        0            31.523   -120          
1 1 1 32 0  8  o 0 2.04939  0.819794  0.043565      -0.0754568   0             0             97.863   120           75.9354  120          8.3551   -60           
1 1 1 32 1  0  f 1 0        1.78885   -0.0680821    8.33737e-018 0             0             106.999  -8.72808e-014 0        0            67.5084  180           
1 1 1 32 1  1  < 0 0        1.25483   0.0524026     -0.171214    -0.0223542    0.0224724     ?        ?             120.191  -7.2341      ?        ?             
1 1 1 32 1  2  o 0 3.89704  0.23674   1.30513       0.269739     -0.056156     0.325747      55.9106  92.6397       170.149  47.4512      146.195  36.9834       
1 1 1 32 1  3  f 1 1.98893  0.411425  -0.496238     -0.296129    -0.0799756    0.079218      50.9944  -69.1231      39.084   -134.424     39.7522  174.16        
1 1 1 32 1  4  o 0 1.95939  0.402523  0.104417      0.339        -0.0328245    -0.00241239   39.0466  120.576       27.4681  84.1429      17.0267  13.9252       
1 1 1 32 1  5  o 0 6.04454  0.171086  -0.270832     0.22467      0.00534631    -0.00444407   142.763  -4.44039      342.628  -1.91469     218.213  -0.472771     
1 1 1 32 1  6  o 0 2.67201  0.534054  -0.0339155    0.573048     -0.00797774   0.0203544     95.4677  175.856       113.256  161.203      39.4751  129.322       
1 1 1 32 1  7  o 0 2.14749  0.994479  0.476412      -0.635745    0.0343665     0.00691328    99.4083  -86.5617      71.6402  -71.3589     25.6012  46.2306       
1 1 1 32 1  8  o 0 3.13217  0.832923  -0.736239     -0.534214    -0.0180737    0.00649703    116.93   -104.606      145.87   -113.978     47.8185  -134.393      
1 1 1 32 2  0  o 0 2.12132  0.561244  -0.153479     1.87952e-017 0             0             99.0185  180           47.6111  180          15.1998  -7.67066e-013 
1 1 1 32 2  1  o 0 1.14026  0.578012  0.35356       0.298827     -0.0852895    0.053739      43.4865  140.457       24.7124  2.90731      49.4508  -19.8306      
1 1 1 32 2  2  o 0 2.68705  0.567344  0.448902      0.209878     0.00355884    -0.0162722    69.4585  48.3228       69.9368  37.9937      25.7916  19.2318       
1 1 1 32 2  3  < 0 0        1.23341   0.130322      -0.0214963   0.00970231    0.00295931    ?        ?             62.0574  -52.0592     ?        ?             
1 1 1 32 2  4  o 0 1.76543  0.795468  -1.25288      0.182259     -0.0765547    0.0913906     144.945  -68.1112      83.2023  162.644      188.981  131.824       
1 1 1 32 2  5  o 0 4.83196  0.40349   -0.413652     1.0213       0.030727      -0.0491066    155.969  131.316       258.557  129.124      125.011  126.778       
1 1 1 32 2  6  o 0 2.45298  0.323501  -0.00518764   0.234843     -0.00601126   4.28811e-005  183.984  3.53985       34.3218  15.5792      126.557  -179.703      
1 1 1 32 2  7  f 1 2.67015  0.934661  0.164352      -0.4599      -0.00608355   0.00665902    99.1658  -18.9145      115.365  -28.4443     33.783   -53.3423      
1 1 1 32 2  8  o 0 2.43769  0.563375  -0.0164001    0.302031     -0.00126492   0.0019427     72.9047  18.112        102.337  28.6906      40.4165  45.8123       
1 1 1 32 3  0  o 0 7.80385  0.218069  -0.134063     1.64175e-017 0             0             193.732  -4.66551e-015 236.859  0            115.455  4.9059e-015   
1 1 1 32 3  1  o 0 2.21173  1.013     -0.857348     0.0539183    -0.0358221    0.051675      79.8432  133.972       48.2487  168.196      29.507   -112.907      
1 1 1 32 3  2  o 0 3.38494  0.380187  0.765081      0.489967     -0.0633546    0.032487      29.7198  64.0459       145.717  45.6811      122.687  42.0704       
1 1 1 32 3  3  o 0 3.17632  0.43823   -0.0647602    -0.0847675   -0.00102672   -0.000213314  48.102   -33.9431      86.8703  -41.9295     47.0178  -48.8176      
1 1 1 32 3  4  o 0 4.32067  0.331767  -0.162425     -0.0196906   -0.00135263   0.000862556   98.5641  124.538       246.24   126.328      163.219  127.239       
1 1 1 32 3  5  o 0 3.64767  0.278733  -0.211291     0.373628     -0.0119035    -0.00135748   69.6023  86.8299       207.767  91.1777      148.252  92.9288       
1 1 1 32 3  6  f 1 1.81286  0.449277  0.216092      0.0158178    0.0051163     0.00121782    136.535  48.4237       16.1303  27.3756      102.518  -128.337      
1 1 1 32 3  7  o 0 2.14678  0.427585  0.719246      0.0234402    0.0331406     0.00125513    71.4767  45.0737       87.5795  26.0622      34.4984  -10.7167      
1 1 1 32 4  0  o 0 2.70185  0.519324  0.00735125    0            0             0             76.5972  -1.61561e-013 65.3849  0            6.34553  1.50318e-012  
1 1 1 32 4  1  o 0 4.73751  0.225924  -0.406016     0.248979     -0.00380775   -0.0176215    219.875  -149.607      166.553  -156         20.725   93.8745       
1 1 1 32 4  2  f 1 2.06071  0.429199  0.0263155     -0.220969    -0.00120204   -0.00672869   66.4135  -153.737      27.254   -120.543     34.069   0.28981       
1 1 1 32 4  3  o 0 2.75256  0.326174  0.421569      -0.217937    0.0339635     -0.00797141   113.338  -66.5473      105.704  -58.7704     18.5245  -16.0016      
1 1 1 32 4  4  o 0 4.73616  0.342149  -0.768553     -0.350208    -0.0152862    0.0297118     146.601  -90.6657      251.125  -97.4396     129.765  -103.861      
1 1 1 32 4  5  o 0 0.816691 0.608168  -0.321112     0.200112     0.0175885     0.0116727     75.7922  -144.701      35.2989  52.9326      99.2031  41.4869       
1 1 1 32 4  6  < 0 0        1.29904   0.00400108    0.384447     -0.0230984    0.00806384    ?        ?             37.9105  115.622      ?        ?             
1 1 1 32 5  0  o 0 0.632456 0.793414  -0.101878     1.2476e-017  0             0             89.6197  180           10.7767  180          55.7033  -2.14227e-015 
1 1 1 32 5  1  o 0 2.62232  0.364726  -0.462071     -0.422503    0.0465266     0.0099269     41.1742  56.5869       52.1167  69.8806      22.5915  88.6235       
1 1 1 32 5  2  o 0 1.27221  0.540326  0.0277227     0.102651     -0.00176912   0.00013045    28.7186  101.676       6.802    82.0298      16.4423  -70.3291      
1 1 1 32 5  3  o 0 2.08643  0.63835   0.0714786     0.418904     0.00706379    0.016979      25.3759  61.6349       63.6024  69.9389      43.3136  73.8789       
1 1 1 32 5  4  f 1 1.57146  0.442905  -0.0316033    -0.0788984   -0.00156962   -0.00104044   52.2352  153.698       21.4549  166.346      22.4245  -38.3942      
1 1 1 32 5  5  o 0 0.839094 0.631785  0.00931103    0.219655     -0.00635125   0.000521566   67.3024  -138.588      36.1315  49.7882      93.3621  44.6439       
1 1 1 32 5  6  o 0 1.51355  0.692876  0.0672148     0.183502     -0.0020461    -0.00209263   89.903   21.8218       15.2047  47.2998      65.2037  -163.935      
1 1 1 32 6  0  o 0 4.46094  0.352165  -0.101109     1.23818e-017 0             0             172.272  -3.86109e-014 160.41   0            35.1715  1.37486e-013  
1 1 1 32 6  1  o 0 1.72293  0.493482  -0.285981     -0.0154392   0.00870729    -0.00756508   35.3029  -49.7759      20.1612  -91.9279     17.8481  179.519       
1 1 1 32 6  2  o 0 0.189721 0.506687  0.138314      0.0835112    0.00583665    -2.53842e-005 7.56666  7.53546       4.68197  -178.199     10.5548  -175.005      
1 1 1 32 6  3  o 0 2.05546  0.922257  0.732614      0.185534     -0.00914099   -0.0353549    50.3479  3.72141       78.155   7.95055      38.0214  12.4403       
1 1 1 32 6  4  o 0 3.259    0.265287  0.0760735     -0.387599    -0.00953256   -0.00074177   98.4918  -61.2706      155.976  -63.5748     74.8799  -66.0746      
1 1 1 32 6  5  < 0 0        1.33558   -0.253538     -0.156767    -0.000337769  0.0170485     ?        ?             91.616   -70.4784     ?        ?             
1 1 1 32 7  0  o 0 2.54951  0.539777  -0.210398     2.57655e-017 0             0             29.9839  180           56.9555  180          35.6596  -180          
1 1 1 32 7  1  o 0 3.37932  0.309985  -0.502394     -0.268317    0.0209649     0.00653158    122.647  -135.221      136.098  -138.125     46.0034  -143.842      
1 1 1 32 7  2  o 0 4.10664  0.274018  0.0222715     0.616558     -0.0192009    0.00273725    108.99   125.813       203.528  120.988      120.82   117.668       
1 1 1 32 7  3  o 0 2.64235  0.512141  0.611765      0.0806354    -0.00558787   0.0176846     28.5562  -14.2942      107.797  -4.18272     85.7158  -1.53867      
1 1 1 32 7  4  o 0 0.651653 0.589466  0.000467845   -0.212738    -0.00263067   -0.00806675   80.9128  39.7949       50.8057  -135.573     116.546  -138.187      
1 1 1 32 8  0  o 0 0        1.81659   0.044272      0            0             0             21.6009  180           0        0            14.9392  -1.4798e-013  
1 1 1 32 8  1  o 0 2.23557  1.02158   -0.208164     0.138915     0.00226827    0.00213022    40.1974  -25.5741      43.512   -22.1308     14.7416  -15.3629      
1 1 1 32 8  2  o 0 2.64053  0.374107  0.0715797     0.156417     -0.00264179   0.000703009   43.5926  -52.1328      86.5878  -44.4951     54.4987  -39.9421      
1 1 1 32 8  3  o 0 2.57767  0.984724  0.0286573     0.212479     0.00107055    0.00204418    130.757  49.1193       74.9113  52.2567      26.6281  -139.738      
1 1 1 33 0  0  o 0 7.18331  0.319571  0.660336      0            0             0             277.74   -2.02748e-014 213.518  0            43.017   8.03611e-014  
1 1 1 33 0  1  o 0 1.41421  0.724167  0.0106975     0.0185287    0             0             37.4621  -120          7.43635  -120         16.1184  60            
1 1 1 33 0  2  o 0 0        1.76068   0.00643007    -0.0111372   0             0             9.00034  -60           0        0            5.77221  120           
1 1 1 33 0  3  o 0 0.894427 0.730667  0.0476171     0            0             0             52.403   -2.90295e-014 6.13698  0            28.0214  180           
1 1 1 33 0  4  o 0 2.30217  0.505823  0.0100788     0.017457     0             0             81.6847  60            56.4324  60           10.906   -120          
1 1 1 33 0  5  o 0 2.14476  0.321172  0.241282      -0.417913    0             0             69.4574  -60           78.8887  -60          22.2277  -60           
1 1 1 33 0  6  o 0 0        2.02485   -0.195457     2.39358e-017 0             0             135.235  180           0        0            111.22   -1.04781e-015 
1 1 1 33 0  7  o 0 3.53553  0.587058  0.135004      0.233835     0             0             200.038  60            144.663  60           20.8137  -120          
1 1 1 33 0  8  o 0 0        2.32379   -0.0787651    0.136425     0             0             46.9242  120           0        0            38.954   -60           
1 1 1 33 1  0  o 0 3.92428  0.360336  0.0246551     0            0             0             280.187  -180          115.798  -180         55.0039  2.99669e-014  
1 1 1 33 1  1  o 0 2.8813   0.37369   0.0876475     -0.386754    -0.00791921   0.0180916     160.575  -18.182       48.5991  -34.2785     55.4461  175.883       
1 1 1 33 1  2  o 0 4.0901   0.31994   -0.710144     0.676928     0.0762235     -0.0202875    240.867  -166.66       85.8944  175.236      77.2243  33.5595       
1 1 1 33 1  3  o 0 2.40236  0.367665  -0.292901     0.473936     0.00823729    -0.068434     114.139  -166.418      55.7315  152.568      62.6236  49.3167       
1 1 1 33 1  4  o 0 1.7343   0.484977  0.183634      0.233023     0.0121156     0.00551595    49.0984  -44.1454      19.7547  49.1906      46.1789  110.573       
1 1 1 33 1  5  o 0 2.04106  0.375525  -0.251754     0.11355      0.00242632    -0.0126536    110.994  -98.4018      45.5358  -112.337     48.2006  94.7484       
1 1 1 33 1  6  o 0 2.17984  0.562835  0.424302      -0.352455    0.0105176     -0.0176279    121.323  -84.1825      56.2822  -68.2021     49.1793  77.4522       
1 1 1 33 1  7  < 0 0        1.62011   -0.144998     0.371092     0.00598024    -0.0150294    ?        ?             124.524  -137.942     ?        ?             
1 1 1 33 2  0  f 1 5.28204  0.312293  0.454084      0            0             0             374.863  3.23629e-014  192.881  0            85.4261  -180          
1 1 1 33 2  1  o 0 1.67443  0.496015  0.191925      0.33914      0.0190417     0.0299827     36.7228  65.941        20.7377  57.7904      8.48028  -93.7733      
1 1 1 33 2  2  o 0 2.49161  0.388486  -0.133293     0.0285328    0.00427233    -0.000362438  51.3254  179.28        50.2839  176.695      9.6979   165.756       
1 1 1 33 2  3  o 0 3.04894  0.500039  0.522174      0.331263     0.0209073     -0.0178744    88.0774  -6.26672      140.465  0.998093     71.515   8.11463       
1 1 1 33 2  4  o 0 5.69195  0.199301  -0.207196     0.129666     0.00290894    -0.000810903  178.315  53.4828       295.802  54.9054      151.31   56.2647       
1 1 1 33 2  5  o 0 2.20749  0.955223  0.0974093     -0.588839    0.00468735    -0.0325824    69.3297  -60.2765      85.5627  -66.6336     29.4272  -79.057       
1 1 1 33 2  6  o 0 2.79769  0.291312  -0.847389     -0.265224    0.0449047     0.0153547     57.8602  -163.782      143.412  -163.67      94.9643  -163.613      
1 1 1 33 2  7  f 1 2.10018  0.638244  -0.0194704    0.203013     -0.00119705   0.000762778   55.6603  68.3438       70.8125  73.2223      24.7743  82.4121       
1 1 1 33 3  0  o 0 3.2249   0.480898  -0.0370013    4.53121e-018 0             0             81.3996  -180          89.0121  -180         28.3442  180           
1 1 1 33 3  1  o 0 1.43451  0.520492  -0.0638563    -0.167298    -0.00766162   0.00572588    29.6656  -137.518      16.2864  -122.797     7.76643  10.2828       
1 1 1 33 3  2  o 0 1.98515  0.799089  0.0064738     -0.180254    -0.000274441  0.00359606    56.8803  -149.784      53.6322  -139.894     12.7758  -103.647      
1 1 1 33 3  3  o 0 4.31744  0.248779  -1.07228      -0.208256    0.0833846     -0.025654     166.652  105.672       190.868  117.143      66.843   140.273       
1 1 1 33 3  4  o 0 2.27888  0.724033  0.230447      0.866562     0.0427338     0.0303868     86.0895  128.398       84.4577  106.649      32.4865  53.9668       
1 1 1 33 3  5  o 0 2.18301  0.889301  -0.405408     0.255859     -0.0109121    0.000673562   21.6157  -47.1831      11.0439  -135.563     20.7352  164.985       
1 1 1 33 3  6  o 0 1.07644  0.562018  0.342906      -0.353428    -0.0171091    -0.0166472    104.656  -71.6775      25.6785  93.3983      113.134  104.971       
1 1 1 33 4  0  o 0 1.70294  0.687932  0.0943248     0            0             0             45.6945  1.80973e-013  34.4427  0            1.55964  -3.81557e-012 
1 1 1 33 4  1  o 0 3.18515  0.370929  0.296261      0.553581     0.0209553     0.0230169     71.086   -1.1032       146.284  11.7212      95.4579  18.7827       
1 1 1 33 4  2  o 0 2.24983  0.423231  -0.247102     -0.14178     -0.0021799    0.0115585     87.1774  -148.434      72.2731  -148.444     5.48391  -148.573      
1 1 1 33 4  3  o 0 1.3784   0.517159  0.0261381     -0.119372    -0.00260493   -0.00130055   30.9105  -169.716      8.91408  -125.007     19.0562  -8.92867      
1 1 1 33 4  4  o 0 1.03323  0.583707  0.275049      0.314772     -0.0144309    -0.0112019    58.1215  -128.701      29.5593  49.6226      76.4551  50.6512       
1 1 1 33 4  5  o 0 1.93761  0.957267  0.547095      0.48768      0.0177269     -0.0204267    40.636   -14.266       69.7241  16.8221      44.4922  39.7504       
1 1 1 33 5  0  o 0 2.96648  0.510891  0.149527      0            0             0             83.9347  180           95.8897  180          36.4939  -180          
1 1 1 33 5  1  < 0 0        1.28452   -0.00219475   -0.014138    -6.25404e-005 1.822e-005    ?        ?             83.3782  104.326      ?        ?             
1 1 1 33 5  2  f 1 4.19122  0.273956  -0.144114     -0.516082    -0.00551461   0.0120537     127.388  -19.2171      197.373  -25.1996     103.405  -30.6919      
1 1 1 33 5  3  o 0 2.59799  0.37137   -0.794322     -0.00853565  0.0276299     -0.0378714    60.5077  122.441       114.05   143.423      72.0064  156.993       
1 1 1 33 5  4  o 0 3.0976   0.282226  0.310956      0.461922     -0.0195983    0.00359332    149.431  127.462       107.786  117.442      23.2058  1.37716       
1 1 1 33 6  0  f 1 0        1.81659   0.112374      0            0             0             51.5585  -180          0        0            35.2253  1.17836e-014  
1 1 1 33 6  1  f 1 4.60052  0.303557  1.19416       0.23847      0.0487039     -0.0227036    139.324  10.3268       212.627  9.95627      113.804  9.63447       
1 1 1 33 6  2  o 0 2.15454  0.687946  0.0708955     -0.249694    -0.00193055   0.0046424     91.0281  -12.9593      60.0938  -22.3829     13.0627  -144.088      
1 1 1 33 6  3  o 0 2.45051  0.397422  -0.0715751    -0.232077    -0.00462309   -0.000228307  96.1037  149.713       81.071   157.457      12.6209  -150.338      
1 1 1 33 7  0  o 0 1.44914  0.746207  -0.0250595    3.0688e-018  0             0             9.33743  -1.57049e-013 3.42899  0            2.90208  180           
1 1 1 33 7  1  o 0 1.84141  0.521577  0.160202      0.184609     0.00402186    0.00201407    78.2054  109.822       38.3578  96.0438      20.1154  -43.1681      
1 1 1 33 7  2  o 0 1.44914  0.533126  -0.0685207    0.0973794    -0.000960179  -0.00139487   31.9699  146.305       14.2984  137.736      9.5075   -20.7456      
1 1 1 34 0  0  f 1 4.59347  0.426562  -0.0793987    9.72321e-018 0             0             178.836  -180          148.512  -180         20.4156  180           
1 1 1 34 0  1  o 0 2.34521  0.595745  0.0713312     0.123549     0             0             122.557  60            70.8118  60           20.6691  -120          
1 1 1 34 0  2  o 0 3.33167  0.399391  0.106621      -0.184673    0             0             178.9    -60           121.153  -60          15.3176  120           
1 1 1 34 0  3  o 0 3.39117  0.405577  0.319897      0            0             0             137.058  -5.90669e-016 123.324  0            16.8623  3.72927e-015  
1 1 1 34 0  4  o 0 5.25357  0.288294  -0.312648     -0.541521    0             0             136.066  -120          200.63   -120         95.579   -120          
1 1 1 34 0  5  o 0 2.56905  0.29499   -0.0575377    0.0996583    0             0             200.349  120           99.2064  120          57.3703  -60           
1 1 1 34 0  6  o 0 3.49285  0.550355  0.17415       0            0             0             137.653  -3.47918e-015 136.125  0            27.5014  1.37419e-014  
1 1 1 34 0  7  f 1 1.18322  1.01135   -0.198786     -0.344308    0             0             30.315   -120          26.5164  -120         2.78671  -120          
1 1 1 34 1  0  o 0 2.60768  0.544775  -0.126107     1.54432e-017 0             0             24.9456  -180          32.0438  -180         14.0104  180           
1 1 1 34 1  1  o 0 2.60403  0.383594  -0.510049     -0.103276    0.0051875     0.0373084     133.073  -80.1448      53.5139  -115.57      63.437   129.128       
1 1 1 34 1  2  o 0 4.11734  0.247598  0.357152      0.2413       0.0060519     0.0132325     199.715  45.6016       142.031  44.6562      7.33507  -115.766      
1 1 1 34 1  3  o 0 2.28339  0.526428  -0.137945     -0.248719    0.00719992    0.00305564    54.4975  -178.595      76.9921  -167.281     37.1971  -154.637      
1 1 1 34 1  4  o 0 2.17844  0.447355  -0.410119     0.221721     -0.0131051    -0.0135135    111.163  -168.652      57.188   179.556      32.3911  32.4957       
1 1 1 34 1  5  o 0 3.50369  0.262021  -0.290454     0.611716     -0.0216778    -0.0156513    104.547  -15.5704      160.311  -6.81831     79.9325  2.19778       
1 1 1 34 1  6  o 0 1.85357  0.629969  0.210783      0.463592     -0.0119967    0.00686144    73.373   96.7415       52.384   82.8843      14.7146  -24.76        
1 1 1 34 2  0  o 0 3.89872  0.404634  -0.364598     4.46489e-017 0             0             55.7237  -180          129.467  -180         90.3517  180           
1 1 1 34 2  1  o 0 3.31012  0.327986  0.318462      0.541757     -0.0399031    0.0159138     82.875   114.047       148.175  103.505      89.889   96.4945       
1 1 1 34 2  2  o 0 1.24157  0.608952  0.034678      -0.397245    0.00807513    -0.0203075    62.7145  -52.4239      9.89005  -101.66      40.8443  138.144       
1 1 1 34 2  3  o 0 2.92692  0.343876  0.68782       0.0441846    0.0284538     -0.0266969    113.712  -45.0773      112.515  -34.3061     31.9142  -3.86245      
1 1 1 34 2  4  o 0 3.21963  0.30808   0.0576665     -0.708582    -0.0201188    0.021242      141.9    -20.2958      118.926  -30.8501     22.7771  -93.3086      
1 1 1 34 2  5  o 0 1.83563  0.433428  -0.187034     -0.208523    -0.00253879   0.00709682    90.2936  125.397       36.4132  145.479      39.3283  -73.1385      
1 1 1 34 3  0  o 0 0.948683 0.819062  -0.101302     1.24055e-017 0             0             143.26   180           25.6367  180          73.8432  -7.46987e-014 
1 1 1 34 3  1  o 0 0.796687 0.660447  -0.252577     -0.123444    -0.00427258   0.0125277     78.9744  -165.352      28.2891  11.5564      84.9249  13.6186       
1 1 1 34 3  2  o 0 3.11773  0.330504  0.541606      0.387756     -0.00623076   0.0325664     58.7864  27.4759       145.742  30.2298      102.384  31.3976       
1 1 1 34 3  3  o 0 2.00241  0.451255  -0.101114     -0.13667     0.000121798   0.00388638    129.365  123.623       29.452   134.55       69.4245  -60.9899      
1 1 1 34 3  4  o 0 3.1808   1.00998   -0.270062     -0.0273889   -0.00172823   0.000409823   76.746   -154.074      148.507  -156.053     88.9475  -157.38       
1 1 1 34 3  5  o 0 2.50613  0.526046  -0.0294354    0.349373     -0.00200807   -0.00542277   89.7992  172.352       92.5682  161.53       26.2021  130.799       
1 1 1 34 4  0  o 0 1.87083  0.672782  -0.146468     1.79365e-017 0             0             56.5307  -2.4241e-013  34.1282  0            4.60198  180           
1 1 1 34 4  1  o 0 1.89672  0.485065  0.235406      0.318683     -0.0164233    0.00490141    19.0042  179.075       21.6055  101.191      22.9418  66.1148       
1 1 1 34 4  2  o 0 2.00799  0.503373  -0.0002869    0.272575     -0.0036034    0.00741504    91.5949  58.6482       49.2794  65.3704      19.0406  -138.987      
1 1 1 34 4  3  o 0 3.33534  0.316538  0.424466      -0.183236    0.00980335    -0.000475469  156.645  -75.9914      114.111  -70.2676     12.2645  35.8937       
1 1 1 34 4  4  o 0 1.45573  0.460419  -0.270833     -0.30557     -0.0139277    0.0122465     119.638  -22.0319      17.4139  -149.583     104.204  165.581       
1 1 1 34 5  0  o 0 0        1.92354   -0.00377216   4.61941e-019 0             0             93.4195  1.17204e-013  0        0            62.9675  -180          
1 1 1 34 5  1  o 0 3.71925  0.298937  -0.620174     -0.505121    -0.0143505    0.0253168     133.545  -145.63       147.095  -144.398     53.7159  -142.256      
1 1 1 34 5  2  o 0 1.97518  0.901204  -0.098977     0.133097     -0.00136997   0.000731495   72.0408  -167.864      48.7767  -176.389     8.22723  73.6487       
1 1 1 35 0  0  o 0 0        2.28035   0.0293437     0            0             0             138.961  5.34748e-013  0        0            93.8338  -180          
1 1 1 35 0  1  o 0 0.447214 0.776329  0.0441395     0.0764519    0             0             39.3991  -120          0.558378 -120         26.794   60            
1 1 1 35 0  2  o 0 2.62679  0.516232  -0.00547416   0.00948152   0             0             53.6567  -60           69.796   -60          31.6576  -60           
1 1 1 35 0  3  o 0 2.93258  0.440255  0.137101      0            0             0             139.736  -3.81528e-015 104.694  0            3.37734  1.14455e-013  
1 1 1 35 0  4  o 0 0.707107 0.757732  0.0650113     0.112603     0             0             66.4189  60            11.1384  60           37.8283  -120          
1 1 1 35 0  5  o 0 1.18322  0.480074  0.11465       -0.198579    0             0             48.233   -60           24.5058  -60          11.5475  120           
1 1 1 35 1  0  o 0 1        0.77406   0.0300216     0            0             0             13.2192  3.1614e-012   4.08378  0            4.79498  -180          
1 1 1 35 1  1  o 0 2.66382  0.88572   -0.507201     0.101071     -0.000782472  0.0145879     61.991   -66.1042      87.9695  -84.0003     48.95    -99.6252      
1 1 1 35 1  2  o 0 2.49681  0.37191   -0.490146     -0.241859    0.0109477     0.0294888     96.4956  133.629       80.9859  149.621      24.1731  -159.006      
1 1 1 35 1  3  f 1 2.21876  0.423525  -0.367436     0.612328     0.0162184     -0.0496358    180.968  -173.227      23.2108  136.571      116.018  15.6152       
1 1 1 35 1  4  o 0 1.13131  0.610144  0.194397      0.0126427    -0.000197088  0.0035892     63.534   -114.224      13.9246  38.4096      59.7951  59.6306       
1 1 1 35 1  5  o 0 1.77441  0.266578  0.150647      0.243924     -0.0106867    0.00177812    53.7772  -47.0083      33.259   -20.3507     18.4315  78.9361       
1 1 1 35 2  0  o 0 0        1.94936   0.217433      0            0             0             129.829  1.087e-013    0        0            86.5336  -180          
1 1 1 35 2  1  f 1 2.81565  0.374979  0.345864      0.150082     0.00857612    -0.00259773   145.752  60.1895       76.3384  55.0486      23.7813  -103.094      
1 1 1 35 2  2  o 0 3.4573   0.32075   -0.256751     0.0105432    0.00427338    -0.00199709   120.763  145.808       136.053  147.945      50.6663  151.554       
1 1 1 35 2  3  o 0 2.62783  1.16485   0.197885      -0.613619    0.0179656     -0.00497996   77.8803  -19.6649      101.788  -33.0061     48.5156  -48.62        
1 1 1 35 2  4  o 0 1.21489  0.547913  0.04755       0.166362     -0.00359095   -6.14579e-005 7.6814   -167.255      7.63698  75.1438      11.4602  48.9415       
1 1 1 35 3  0  f 1 0.447214 0.756631  0.0825135     0            0             0             6.92158  -2.78937e-013 1.51355  0            2.98342  180           
1 1 1 35 3  1  o 0 1.17198  0.603712  -0.0504186    -0.124354    0.00034959    0.00213428    47.833   -80.9548      2.52711  -171.024     32.7715  103.468       
1 1 1 35 3  2  < 0 0        1.2746    -0.151393     -0.0864907   0.0043461     0.00194067    ?        ?             11.2623  -107.518     ?        ?             
1 1 1 35 3  3  o 0 2.3843   0.394992  -0.497061     0.515169     0.0109714     -0.0362222    76.2457  -171.283      85.9827  169.312      38.5159  140.84        
1 1 1 35 4  0  o 0 2.09762  0.648261  -0.0117712    1.44151e-018 0             0             9.43841  -1.56207e-012 8.62241  0            2.47532  3.87915e-012  
1 1 1 35 4  1  o 0 5.16229  0.246367  0.852325      0.49363      0.0206407     0.0114751     190.35   -14.0977      204.792  -9.50629     77.2483  -1.84534      
1 1 1 36 0  0  f 1 5.14782  0.453589  -0.295722     3.62143e-017 0             0             192.505  180           162.63   180          41.4217  -180          
1 1 1 36 0  1  o 0 1.14018  0.768668  0.11892       0.205975     0             0             44.7785  60            19.92    60           9.56673  -120          
1 1 1 36 0  2  o 0 4.46094  0.342545  -0.049456     0.0856603    0             0             207.042  -60           149.028  -60          9.19801  -60           
1 1 1 36 0  3  o 0 2.04939  0.586874  0.167157      0            0             0             73.9309  -1.239e-014   59.1288  0            8.10807  7.7965e-014   
1 1 1 36 0  4  o 0 1.84391  0.606015  -0.146964     -0.254549    0             0             140.729  60            58.4945  60           40.419   -120          
1 1 1 36 1  0  o 0 3.01662  0.504842  0.104782      0            0             0             69.4891  -180          83.624   -180         39.3987  180           
1 1 1 36 1  1  o 0 2.31941  0.438459  -0.206119     -0.412795    -0.0163707    0.00759708    98.199   -74.3015      63.6169  -84.8401     11.8012  -173.916      
1 1 1 36 1  2  o 0 2.83922  0.362952  0.17772       0.431005     0.001766      0.0107264     80.3957  17.4448       106.358  26.3747      53.3767  35.462        
1 1 1 36 1  3  o 0 3.61534  0.309017  -0.409137     -0.356998    0.00465211    0.0137893     138.231  107.953       133.41   114.952      40.1668  131.824       
1 1 1 36 2  0  o 0 0        1.94936   -0.0547794    6.70832e-018 0             0             90.8194  180           0        0            57.396   -1.80695e-014 
1 1 1 36 2  1  f 1 2.19303  0.437779  0.092209      0.34576      -0.00964313   0.00461973    157.779  70.6556       25.8034  72.3428      75.8134  -109.919      
1 1 1 37 0  0  o 0 2.82843  0.669941  0.00379339    0            0             0             255.642  2.80201e-014  83.594   0            70.9796  -180          
1 1 1 37 0  1  o 0 2.44949  0.580186  0.0793372     0.137416     0             0             12.2055  -120          3.98953  -120         3.62364  60            
1 1 1 37 0  2  f 1 2.70185  0.53209   -0.0879427    0.152321     0             0             187.498  120           85.5365  120          32.7789  -60           
1 1 1 1  0  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             971.144  180          ?        ?             
1 1 1 1  0  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             236.76   -120         ?        ?             
1 1 1 1  0  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             2617.51  -60          ?        ?             
1 1 1 1  1  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1030.39  -180         ?        ?             
1 1 1 1  1  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             87.3669  -150         ?        ?             
1 1 1 1  1  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1346.06  60           ?        ?             
1 1 1 2  0  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             3667.83  0            ?        ?             
1 1 1 2  0  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1105.84  60           ?        ?             
1 1 1 2  0  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             520.355  120          ?        ?             
1 1 1 2  1  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             809.262  -180         ?        ?             
1 1 1 2  1  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             532.994  -81.0368     ?        ?             
1 1 1 2  1  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1145.01  164.206      ?        ?             
1 1 1 2  2  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1111.78  -3.3662e-014 ?        ?             
1 1 1 2  2  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             940.316  30           ?        ?             
1 1 1 2  2  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             82.1825  -120         ?        ?             
1 1 1 3  0  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             381.041  3.14827e-013 ?        ?             
1 1 1 3  0  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             926.555  -120         ?        ?             
1 1 1 3  0  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1401.31  -60          ?        ?             
1 1 1 3  1  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             2034.36  -180         ?        ?             
1 1 1 3  1  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             841.949  -132.271     ?        ?             
1 1 1 3  1  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             523.14   89.5429      ?        ?             
1 1 1 3  2  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             850.678  1.53272e-014 ?        ?             
1 1 1 3  2  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             328.513  -167.508     ?        ?             
1 1 1 3  2  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             920.229  -47.1274     ?        ?             
1 1 1 3  3  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             511.202  3.73151e-014 ?        ?             
1 1 1 3  3  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             268.759  30           ?        ?             
1 1 1 4  0  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1356.02  4.81636e-014 ?        ?             
1 1 1 4  0  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             2090.72  60           ?        ?             
1 1 1 4  0  2  x 0 ?        ?         ?             ?            ?             ?             ?        ?             148.863  120          ?        ?             
1 1 1 4  1  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             275.13   180          ?        ?             
1 1 1 4  1  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             145.808  -36.7771     ?        ?             
1 1 1 4  2  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             961.283  180          ?        ?             
1 1 1 4  2  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             580.561  8.41768      ?        ?             
1 1 1 4  3  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             455.909  3.42119e-016 ?        ?             
1 1 1 5  0  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1267.12  7.00541e-014 ?        ?             
1 1 1 5  0  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             310.726  60           ?        ?             
1 1 1 5  1  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             301.628  -180         ?        ?             
1 1 1 5  1  1  x 0 ?        ?         ?             ?            ?             ?             ?        ?             1167.57  -149.679     ?        ?             
1 1 1 6  0  0  x 0 ?        ?         ?             ?            ?             ?             ?        ?             68.0536  1.89629e-013 ?        ?             
1 1 1 10 7  16 x 0 ?        ?         ?             ?            ?             ?             ?        ?             34.0229  -137.51      ?        ?             
1 1 1 11 11 15 x 0 ?        ?         ?             ?            ?             ?             ?        ?             3.56916  90           ?        ?             
1 1 1 16 5  15 x 0 ?        ?         ?             ?            ?             ?             ?        ?             137.719  95.8239      ?        ?             
1 1 1 19 0  15 x 0 ?        ?         ?             ?            ?             ?             ?        ?             108.307  180          ?        ?             
1 1 1 21 12 11 x 0 ?        ?         ?             ?            ?             ?             ?        ?             41.0197  -128.25      ?        ?             
1 1 1 25 15 6  x 0 ?        ?         ?             ?            ?             ?             ?        ?             29.6578  65.1187      ?        ?             
1 1 1 26 2  12 x 0 ?        ?         ?             ?            ?             ?             ?        ?             6.87527  35.6106      ?        ?             
1 1 1 35 0  6  x 0 ?        ?         ?             ?            ?             ?             ?        ?             23.169   180          ?        ?             
# 
#END OF REFLECTIONS
