COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.685  -5.030   1.495  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.698  -4.240   0.756  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.845  -2.866   0.655  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.939  -2.169  -0.019  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.039  -0.855  -0.141  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.087  -0.142  -0.848  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.958  -0.841  -1.467  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.431  -0.019  -2.646  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.215  -0.724  -3.250  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.172  -0.868  -2.226  1.00  0.00           N  
HETATM   11  C   UNL     1       0.062  -1.416  -2.805  1.00  0.00           C  
HETATM   12  C   UNL     1       1.206  -1.193  -1.850  1.00  0.00           C  
HETATM   13  C   UNL     1       1.681  -2.251  -1.085  1.00  0.00           C  
HETATM   14  C   UNL     1       2.726  -2.069  -0.207  1.00  0.00           C  
HETATM   15  C   UNL     1       3.314  -0.814  -0.081  1.00  0.00           C  
HETATM   16  N   UNL     1       4.346  -0.331   0.690  1.00  0.00           N  
HETATM   17  C   UNL     1       5.134  -1.112   1.646  1.00  0.00           C  
HETATM   18  C   UNL     1       6.346  -1.717   0.935  1.00  0.00           C  
HETATM   19  C   UNL     1       7.100  -2.633   1.901  1.00  0.00           C  
HETATM   20  N   UNL     1       7.238  -0.641   0.484  1.00  0.00           N  
HETATM   21  C   UNL     1       8.285  -1.163  -0.405  1.00  0.00           C  
HETATM   22  C   UNL     1       9.079   0.008  -0.995  1.00  0.00           C  
HETATM   23  N   UNL     1       9.563   0.848   0.110  1.00  0.00           N  
HETATM   24  C   UNL     1       8.592   1.297   1.120  1.00  0.00           C  
HETATM   25  C   UNL     1       7.817   0.076   1.627  1.00  0.00           C  
HETATM   26  S   UNL     1      11.159   1.279   0.214  1.00  0.00           S  
HETATM   27  C   UNL     1      11.920  -0.043   1.196  1.00  0.00           C  
HETATM   28  O   UNL     1      11.622   1.233  -1.128  1.00  0.00           O  
HETATM   29  O   UNL     1      11.146   2.498   0.945  1.00  0.00           O  
HETATM   30  C   UNL     1       4.517   1.011   0.413  1.00  0.00           C  
HETATM   31  C   UNL     1       3.609   1.393  -0.524  1.00  0.00           C  
HETATM   32  C   UNL     1       2.831   0.257  -0.858  1.00  0.00           C  
HETATM   33  C   UNL     1       1.771   0.046  -1.748  1.00  0.00           C  
HETATM   34  C   UNL     1       1.252   1.184  -2.589  1.00  0.00           C  
HETATM   35  C   UNL     1       5.495   1.865   1.018  1.00  0.00           C  
HETATM   36  N   UNL     1       6.270   2.543   1.497  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.639  -1.694  -1.105  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.839  -1.018  -0.437  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.136  -0.187   0.462  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.483   1.222   0.483  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.587   1.510   1.143  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.144   2.902   1.299  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.101   3.201   0.144  1.00  0.00           C  
HETATM   44  F   UNL     1     -10.618   4.493   0.289  1.00  0.00           F  
HETATM   45  F   UNL     1      -9.410   3.109  -1.069  1.00  0.00           F  
HETATM   46  F   UNL     1     -11.149   2.275   0.155  1.00  0.00           F  
HETATM   47  S   UNL     1      -9.325   0.069   1.816  1.00  0.00           S  
HETATM   48  C   UNL     1      -8.063  -0.964   1.161  1.00  0.00           C  
HETATM   49  N   UNL     1      -7.885  -2.290   1.228  1.00  0.00           N  
HETATM   50  H   UNL     1      -7.719  -4.692   2.531  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.667  -4.903   1.039  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.404  -6.083   1.465  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.941  -4.678   0.337  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.167   0.821  -0.933  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.285  -1.819  -1.821  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.211   0.074  -3.402  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.142   0.973  -2.298  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.509  -1.710  -3.611  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.828  -0.134  -4.081  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.062  -2.484  -2.980  1.00  0.00           H  
HETATM   61  H   UNL     1       0.274  -0.915  -3.749  1.00  0.00           H  
HETATM   62  H   UNL     1       1.225  -3.226  -1.181  1.00  0.00           H  
HETATM   63  H   UNL     1       3.087  -2.898   0.384  1.00  0.00           H  
HETATM   64  H   UNL     1       5.474  -0.462   2.453  1.00  0.00           H  
HETATM   65  H   UNL     1       4.518  -1.910   2.059  1.00  0.00           H  
HETATM   66  H   UNL     1       6.010  -2.296   0.074  1.00  0.00           H  
HETATM   67  H   UNL     1       6.438  -3.432   2.236  1.00  0.00           H  
HETATM   68  H   UNL     1       7.963  -3.065   1.395  1.00  0.00           H  
HETATM   69  H   UNL     1       7.436  -2.055   2.762  1.00  0.00           H  
HETATM   70  H   UNL     1       8.955  -1.808   0.163  1.00  0.00           H  
HETATM   71  H   UNL     1       7.826  -1.735  -1.211  1.00  0.00           H  
HETATM   72  H   UNL     1       9.927  -0.375  -1.563  1.00  0.00           H  
HETATM   73  H   UNL     1       8.434   0.594  -1.650  1.00  0.00           H  
HETATM   74  H   UNL     1       9.119   1.768   1.950  1.00  0.00           H  
HETATM   75  H   UNL     1       7.900   2.010   0.671  1.00  0.00           H  
HETATM   76  H   UNL     1       7.020   0.403   2.294  1.00  0.00           H  
HETATM   77  H   UNL     1       8.495  -0.586   2.166  1.00  0.00           H  
HETATM   78  H   UNL     1      11.789  -0.997   0.685  1.00  0.00           H  
HETATM   79  H   UNL     1      12.984   0.161   1.316  1.00  0.00           H  
HETATM   80  H   UNL     1      11.446  -0.087   2.176  1.00  0.00           H  
HETATM   81  H   UNL     1       3.500   2.384  -0.939  1.00  0.00           H  
HETATM   82  H   UNL     1       1.730   1.158  -3.569  1.00  0.00           H  
HETATM   83  H   UNL     1       0.173   1.085  -2.708  1.00  0.00           H  
HETATM   84  H   UNL     1       1.479   2.130  -2.099  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.936  -2.675  -1.476  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.835  -1.808  -0.378  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.539  -0.042  -0.054  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.195  -1.638   0.385  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.883   1.976  -0.005  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.682   2.974   2.245  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.327   3.624   1.291  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    1    3   53                                            
CONECT    3    2    4    4   49                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6   39   39                                       
CONECT    6    7    5   54                                            
CONECT    7   38    8    6   55                                       
CONECT    8    9    7   56   57                                       
CONECT    9   10    8   58   59                                       
CONECT   10   11   37    9                                            
CONECT   11   12   10   60   61                                       
CONECT   12   33   11   13   13                                       
CONECT   13   12   12   14   62                                       
CONECT   14   15   15   13   63                                       
CONECT   15   32   16   14   14                                       
CONECT   16   30   15   17                                            
CONECT   17   16   18   64   65                                       
CONECT   18   20   17   19   66                                       
CONECT   19   18   67   68   69                                       
CONECT   20   25   21   18                                            
CONECT   21   22   20   70   71                                       
CONECT   22   23   21   72   73                                       
CONECT   23   26   24   22                                            
CONECT   24   23   25   74   75                                       
CONECT   25   24   20   76   77                                       
CONECT   26   29   29   28   28                                       
CONECT   26   27   23                                                 
CONECT   27   26   78   79   80                                       
CONECT   28   26   26                                                 
CONECT   29   26   26                                                 
CONECT   30   31   31   35   16                                       
CONECT   31   32   30   30   81                                       
CONECT   32   31   33   33   15                                       
CONECT   33   34   32   32   12                                       
CONECT   34   33   82   83   84                                       
CONECT   35   36   36   36   30                                       
CONECT   36   35   35   35                                            
CONECT   37   10   38   85   86                                       
CONECT   38   37    7   87   88                                       
CONECT   39    5    5   48   40                                       
CONECT   40   39   41   41   89                                       
CONECT   41   47   40   40   42                                       
CONECT   42   41   43   90   91                                       
CONECT   43   44   45   42   46                                       
CONECT   44   43                                                      
CONECT   45   43                                                      
CONECT   46   43                                                      
CONECT   47   48   41                                                 
CONECT   48   49   49   39   47                                       
CONECT   49    3   48   48                                            
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   31                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   40                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
