COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.808   2.327  -1.077  1.00  0.00           C  
HETATM    2  S   UNL     1      -5.273   2.458  -2.131  1.00  0.00           S  
HETATM    3  C   UNL     1      -6.405   1.600  -1.175  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.824   1.434  -1.654  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.621   0.636  -0.621  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.090   0.573  -1.047  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.887  -0.225  -0.014  1.00  0.00           C  
HETATM    8  C   UNL     1     -19.500  -2.561  -0.535  1.00  0.00           C  
HETATM    9  C   UNL     1     -21.026  -2.478  -0.559  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.658  -2.022  -0.697  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.558   0.181   2.360  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.096  -0.170   1.973  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.475  -1.079  -1.743  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.355  -0.287  -0.440  1.00  0.00           C  
HETATM   15  C   UNL     1     -19.642  -1.010   1.460  1.00  0.00           C  
HETATM   16  C   UNL     1     -18.888  -1.397   0.225  1.00  0.00           C  
HETATM   17  C   UNL     1     -18.857  -0.186  -0.710  1.00  0.00           C  
HETATM   18  C   UNL     1     -14.652  -0.991   0.276  1.00  0.00           C  
HETATM   19  C   UNL     1     -14.988   0.244  -0.562  1.00  0.00           C  
HETATM   20  C   UNL     1     -21.502  -2.456   0.880  1.00  0.00           C  
HETATM   21  O   UNL     1     -22.383  -3.192   1.272  1.00  0.00           O  
HETATM   22  C   UNL     1     -17.581  -0.405   2.694  1.00  0.00           C  
HETATM   23  C   UNL     1     -16.825  -0.565   1.371  1.00  0.00           C  
HETATM   24  C   UNL     1     -17.435  -1.734   0.584  1.00  0.00           C  
HETATM   25  C   UNL     1     -15.372  -0.907   1.649  1.00  0.00           C  
HETATM   26  C   UNL     1     -13.174  -0.977   0.653  1.00  0.00           C  
HETATM   27  C   UNL     1     -15.162  -2.239  -0.419  1.00  0.00           C  
HETATM   28  C   UNL     1     -20.842  -1.497   1.773  1.00  0.00           C  
HETATM   29  C   UNL     1     -19.025   0.008   2.401  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.065   1.127  -0.111  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.827   0.687  -2.989  1.00  0.00           C  
HETATM   32  H   UNL     1      -4.012   2.790  -0.111  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.558   1.276  -0.930  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.280   2.415  -1.786  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.219  -0.375  -0.554  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.545   1.122   0.351  1.00  0.00           H  
HETATM   37  H   UNL     1     -10.492   1.584  -1.114  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.165   0.087  -2.020  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.485  -1.236   0.053  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.811   0.261   0.959  1.00  0.00           H  
HETATM   41  H   UNL     1     -19.202  -3.494  -0.056  1.00  0.00           H  
HETATM   42  H   UNL     1     -19.126  -2.552  -1.559  1.00  0.00           H  
HETATM   43  H   UNL     1     -21.339  -1.566  -1.068  1.00  0.00           H  
HETATM   44  H   UNL     1     -21.435  -3.348  -1.073  1.00  0.00           H  
HETATM   45  H   UNL     1     -17.066  -2.918  -1.166  1.00  0.00           H  
HETATM   46  H   UNL     1     -16.773  -1.180  -1.380  1.00  0.00           H  
HETATM   47  H   UNL     1     -14.696   0.122   3.440  1.00  0.00           H  
HETATM   48  H   UNL     1     -14.829   1.169   1.989  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.520   0.743   1.819  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.637  -0.775   2.755  1.00  0.00           H  
HETATM   51  H   UNL     1     -13.521  -1.124  -2.047  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.891  -0.588  -2.522  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.098  -2.091  -1.590  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.732   0.724  -0.593  1.00  0.00           H  
HETATM   55  H   UNL     1     -18.360   0.645  -0.210  1.00  0.00           H  
HETATM   56  H   UNL     1     -18.313  -0.442  -1.618  1.00  0.00           H  
HETATM   57  H   UNL     1     -19.877   0.101  -0.966  1.00  0.00           H  
HETATM   58  H   UNL     1     -14.658   1.140  -0.037  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.480   0.179  -1.524  1.00  0.00           H  
HETATM   60  H   UNL     1     -16.065   0.292  -0.723  1.00  0.00           H  
HETATM   61  H   UNL     1     -17.575  -1.352   3.233  1.00  0.00           H  
HETATM   62  H   UNL     1     -17.098   0.362   3.299  1.00  0.00           H  
HETATM   63  H   UNL     1     -16.895   0.353   0.789  1.00  0.00           H  
HETATM   64  H   UNL     1     -17.422  -2.622   1.215  1.00  0.00           H  
HETATM   65  H   UNL     1     -15.289  -1.854   2.182  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.814  -1.994   0.810  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.026  -3.106   0.227  1.00  0.00           H  
HETATM   68  H   UNL     1     -14.627  -2.386  -1.357  1.00  0.00           H  
HETATM   69  H   UNL     1     -21.330  -1.186   2.685  1.00  0.00           H  
HETATM   70  H   UNL     1     -19.035   0.992   1.931  1.00  0.00           H  
HETATM   71  H   UNL     1     -19.592   0.038   3.331  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.371  -0.294  -2.858  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.853   0.566  -3.336  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.259   1.255  -3.726  1.00  0.00           H  
HETATM   75  C   UNL     1      -2.632   3.042  -1.746  1.00  0.00           C  
HETATM   76  N   UNL     1      -1.446   2.936  -0.893  1.00  0.00           N  
HETATM   77  C   UNL     1      -0.284   3.496  -1.282  1.00  0.00           C  
HETATM   78  O   UNL     1      -0.220   4.087  -2.339  1.00  0.00           O  
HETATM   79  C   UNL     1       0.936   3.387  -0.404  1.00  0.00           C  
HETATM   80  C   UNL     1       2.112   4.102  -1.074  1.00  0.00           C  
HETATM   81  N   UNL     1       3.298   3.996  -0.220  1.00  0.00           N  
HETATM   82  C   UNL     1       4.460   4.556  -0.610  1.00  0.00           C  
HETATM   83  O   UNL     1       4.550   5.068  -1.706  1.00  0.00           O  
HETATM   84  C   UNL     1       5.649   4.546   0.317  1.00  0.00           C  
HETATM   85  O   UNL     1       5.253   4.042   1.594  1.00  0.00           O  
HETATM   86  C   UNL     1       6.743   3.651  -0.268  1.00  0.00           C  
HETATM   87  C   UNL     1       7.894   3.531   0.733  1.00  0.00           C  
HETATM   88  C   UNL     1       6.168   2.262  -0.553  1.00  0.00           C  
HETATM   89  H   UNL     1      -2.428   2.579  -2.712  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.882   4.093  -1.893  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.498   2.463  -0.047  1.00  0.00           H  
HETATM   92  H   UNL     1       0.732   3.850   0.561  1.00  0.00           H  
HETATM   93  H   UNL     1       1.186   2.336  -0.258  1.00  0.00           H  
HETATM   94  H   UNL     1       2.316   3.639  -2.039  1.00  0.00           H  
HETATM   95  H   UNL     1       1.862   5.153  -1.220  1.00  0.00           H  
HETATM   96  H   UNL     1       3.246   3.523   0.625  1.00  0.00           H  
HETATM   97  H   UNL     1       6.031   5.560   0.429  1.00  0.00           H  
HETATM   98  H   UNL     1       4.903   3.141   1.570  1.00  0.00           H  
HETATM   99  H   UNL     1       8.303   4.521   0.936  1.00  0.00           H  
HETATM  100  H   UNL     1       7.524   3.094   1.661  1.00  0.00           H  
HETATM  101  H   UNL     1       5.349   2.347  -1.266  1.00  0.00           H  
HETATM  102  H   UNL     1       6.948   1.624  -0.969  1.00  0.00           H  
HETATM  103  H   UNL     1       5.799   1.824   0.375  1.00  0.00           H  
HETATM  104  O   UNL     1       8.916   2.695   0.187  1.00  0.00           O  
HETATM  105  P   UNL     1      10.278   2.349   0.972  1.00  0.00           P  
HETATM  106  O   UNL     1      11.134   1.284   0.120  1.00  0.00           O  
HETATM  107  C   UNL     1       7.262   4.264  -1.570  1.00  0.00           C  
HETATM  108  O   UNL     1      11.140   3.695   1.169  1.00  0.00           O  
HETATM  109  O   UNL     1       9.953   1.774   2.296  1.00  0.00           O  
HETATM  110  H   UNL     1       7.567   5.295  -1.390  1.00  0.00           H  
HETATM  111  H   UNL     1       8.118   3.690  -1.927  1.00  0.00           H  
HETATM  112  H   UNL     1       6.473   4.245  -2.321  1.00  0.00           H  
HETATM  113  H   UNL     1      11.390   4.127   0.341  1.00  0.00           H  
HETATM  114  C   UNL     1      12.346   0.698   0.598  1.00  0.00           C  
HETATM  115  C   UNL     1      12.897  -0.264  -0.455  1.00  0.00           C  
HETATM  116  C   UNL     1      14.267  -0.806  -0.004  1.00  0.00           C  
HETATM  117  C   UNL     1      14.073  -2.342   0.040  1.00  0.00           C  
HETATM  118  C   UNL     1      12.844  -2.539  -0.884  1.00  0.00           C  
HETATM  119  O   UNL     1      12.017  -1.392  -0.595  1.00  0.00           O  
HETATM  120  H   UNL     1      13.077   1.483   0.791  1.00  0.00           H  
HETATM  121  H   UNL     1      12.147   0.153   1.520  1.00  0.00           H  
HETATM  122  H   UNL     1      12.999   0.250  -1.411  1.00  0.00           H  
HETATM  123  H   UNL     1      15.040  -0.540  -0.726  1.00  0.00           H  
HETATM  124  H   UNL     1      14.946  -2.856  -0.359  1.00  0.00           H  
HETATM  125  H   UNL     1      13.148  -2.540  -1.931  1.00  0.00           H  
HETATM  126  O   UNL     1      14.600  -0.307   1.293  1.00  0.00           O  
HETATM  127  O   UNL     1      13.787  -2.781   1.369  1.00  0.00           O  
HETATM  128  N   UNL     1      12.141  -3.780  -0.549  1.00  0.00           N  
HETATM  129  P   UNL     1      15.913   0.580   1.581  1.00  0.00           P  
HETATM  130  O   UNL     1      17.229  -0.307   1.314  1.00  0.00           O  
HETATM  131  O   UNL     1      15.920   1.756   0.682  1.00  0.00           O  
HETATM  132  O   UNL     1      15.901   1.075   3.112  1.00  0.00           O  
HETATM  133  H   UNL     1      13.656  -3.736   1.448  1.00  0.00           H  
HETATM  134  H   UNL     1      17.291  -1.097   1.869  1.00  0.00           H  
HETATM  135  H   UNL     1      16.664   1.616   3.357  1.00  0.00           H  
HETATM  136  C   UNL     1      11.065  -3.899   0.280  1.00  0.00           C  
HETATM  137  N   UNL     1      10.694  -5.144   0.351  1.00  0.00           N  
HETATM  138  C   UNL     1      11.506  -5.902  -0.424  1.00  0.00           C  
HETATM  139  C   UNL     1      12.441  -5.035  -1.015  1.00  0.00           C  
HETATM  140  H   UNL     1      10.590  -3.080   0.800  1.00  0.00           H  
HETATM  141  N   UNL     1      13.361  -5.537  -1.833  1.00  0.00           N  
HETATM  142  C   UNL     1      13.399  -6.828  -2.087  1.00  0.00           C  
HETATM  143  N   UNL     1      12.542  -7.681  -1.556  1.00  0.00           N  
HETATM  144  C   UNL     1      11.585  -7.271  -0.730  1.00  0.00           C  
HETATM  145  H   UNL     1      14.159  -7.204  -2.756  1.00  0.00           H  
HETATM  146  N   UNL     1      10.692  -8.173  -0.178  1.00  0.00           N  
HETATM  147  H   UNL     1      10.760  -9.116  -0.392  1.00  0.00           H  
HETATM  148  H   UNL     1       9.998  -7.861   0.424  1.00  0.00           H  
CONECT    1    2   32   33   75                                       
CONECT    2    3    1                                                 
CONECT    3   30   30    4    2                                       
CONECT    4    5    3   31   34                                       
CONECT    5    6    4   35   36                                       
CONECT    6    7    5   37   38                                       
CONECT    7   14    6   39   40                                       
CONECT    8   16    9   41   42                                       
CONECT    9    8   20   43   44                                       
CONECT   10   27   24   45   46                                       
CONECT   11   12   25   47   48                                       
CONECT   12   11   26   49   50                                       
CONECT   13   14   51   52   53                                       
CONECT   14    7   26   13   54                                       
CONECT   15   29   16   28   28                                       
CONECT   16   17   24   15    8                                       
CONECT   17   16   55   56   57                                       
CONECT   18   19   26   25   27                                       
CONECT   19   18   58   59   60                                       
CONECT   20   28    9   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   29   61   62                                       
CONECT   23   25   22   24   63                                       
CONECT   24   23   10   16   64                                       
CONECT   25   11   18   23   65                                       
CONECT   26   12   14   18   66                                       
CONECT   27   18   10   67   68                                       
CONECT   28   15   15   20   69                                       
CONECT   29   22   15   70   71                                       
CONECT   30    3    3                                                 
CONECT   31    4   72   73   74                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75    1   76   89   90                                       
CONECT   76   75   77   91                                            
CONECT   77   76   78   78   79                                       
CONECT   78   77   77                                                 
CONECT   79   77   80   92   93                                       
CONECT   80   79   81   94   95                                       
CONECT   81   80   82   96                                            
CONECT   82   81   83   83   84                                       
CONECT   83   82   82                                                 
CONECT   84   82   85   86   97                                       
CONECT   85   84   98                                                 
CONECT   86   84   87   88  107                                       
CONECT   87   86   99  100  104                                       
CONECT   88   86  101  102  103                                       
CONECT   89   75                                                      
CONECT   90   75                                                      
CONECT   91   76                                                      
CONECT   92   79                                                      
CONECT   93   79                                                      
CONECT   94   80                                                      
CONECT   95   80                                                      
CONECT   96   81                                                      
CONECT   97   84                                                      
CONECT   98   85                                                      
CONECT   99   87                                                      
CONECT  100   87                                                      
CONECT  101   88                                                      
CONECT  102   88                                                      
CONECT  103   88                                                      
CONECT  104   87  105                                                 
CONECT  105  104  106  108  109                                       
CONECT  105  109                                                      
CONECT  106  105  114                                                 
CONECT  107   86  110  111  112                                       
CONECT  108  105  113                                                 
CONECT  109  105  105                                                 
CONECT  110  107                                                      
CONECT  111  107                                                      
CONECT  112  107                                                      
CONECT  113  108                                                      
CONECT  114  106  115  120  121                                       
CONECT  115  114  116  119  122                                       
CONECT  116  115  117  123  126                                       
CONECT  117  116  118  124  127                                       
CONECT  118  117  119  125  128                                       
CONECT  119  118  115                                                 
CONECT  120  114                                                      
CONECT  121  114                                                      
CONECT  122  115                                                      
CONECT  123  116                                                      
CONECT  124  117                                                      
CONECT  125  118                                                      
CONECT  126  116  129                                                 
CONECT  127  117  133                                                 
CONECT  128  118  136  139                                            
CONECT  129  126  130  131  131                                       
CONECT  129  132                                                      
CONECT  130  129  134                                                 
CONECT  131  129  129                                                 
CONECT  132  129  135                                                 
CONECT  133  127                                                      
CONECT  134  130                                                      
CONECT  135  132                                                      
CONECT  136  128  137  137  140                                       
CONECT  137  136  136  138                                            
CONECT  138  137  139  139  144                                       
CONECT  139  138  138  128  141                                       
CONECT  140  136                                                      
CONECT  141  139  142  142                                            
CONECT  142  141  141  143  145                                       
CONECT  143  142  144  144                                            
CONECT  144  143  143  138  146                                       
CONECT  145  142                                                      
CONECT  146  144  147  148                                            
CONECT  147  146                                                      
CONECT  148  146                                                      
MASTER        0    0    0    0    0    0    0    0  148    0  148    0
END
