COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.864  -0.313   0.065  1.00  0.00           C  
HETATM    2  C   UNL     1       4.925  -1.255   0.571  1.00  0.00           C  
HETATM    3  C   UNL     1       7.233  -1.266   1.143  1.00  0.00           C  
HETATM    4  C   UNL     1       8.057  -1.923   0.241  1.00  0.00           C  
HETATM    5  C   UNL     1       9.146  -2.640   0.699  1.00  0.00           C  
HETATM    6  C   UNL     1       9.414  -2.703   2.054  1.00  0.00           C  
HETATM    7  C   UNL     1       8.593  -2.049   2.954  1.00  0.00           C  
HETATM    8  C   UNL     1       7.503  -1.331   2.502  1.00  0.00           C  
HETATM    9  C   UNL     1       7.766  -1.855  -1.236  1.00  0.00           C  
HETATM   10  C   UNL     1       6.610  -0.618   3.484  1.00  0.00           C  
HETATM   11  O   UNL     1       4.142   0.845  -0.168  1.00  0.00           O  
HETATM   12  O   UNL     1       6.165  -0.555   0.695  1.00  0.00           O  
HETATM   13  N   UNL     1       2.607  -0.758  -0.135  1.00  0.00           N  
HETATM   14  C   UNL     1       1.576   0.159  -0.628  1.00  0.00           C  
HETATM   15  C   UNL     1       0.197  -0.346  -0.196  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.073  -1.597  -0.831  1.00  0.00           O  
HETATM   17  C   UNL     1       1.639   0.224  -2.155  1.00  0.00           C  
HETATM   18  C   UNL     1       2.950   0.836  -2.578  1.00  0.00           C  
HETATM   19  C   UNL     1       4.050   0.028  -2.798  1.00  0.00           C  
HETATM   20  C   UNL     1       3.051   2.203  -2.751  1.00  0.00           C  
HETATM   21  C   UNL     1       5.253   0.589  -3.185  1.00  0.00           C  
HETATM   22  C   UNL     1       4.253   2.764  -3.139  1.00  0.00           C  
HETATM   23  C   UNL     1       5.355   1.957  -3.354  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.869   0.674  -0.601  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.166   0.276  -0.039  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.109   1.401  -0.043  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.395   0.993   0.680  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.012  -0.215  -0.030  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.992  -1.357  -0.055  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.718  -0.881  -0.756  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.488   2.579   0.664  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.673   2.397   1.543  1.00  0.00           O  
HETATM   33  N   UNL     1      -7.799  -4.492  -1.260  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.960  -4.587  -0.247  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.538  -3.458   0.429  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.008  -2.216   0.031  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.889  -2.156  -1.039  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.266  -3.328  -1.667  1.00  0.00           C  
HETATM   39  S   UNL     1      -6.498  -0.749   0.863  1.00  0.00           S  
HETATM   40  O   UNL     1      -6.162  -1.188   2.172  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.565   0.165   0.647  1.00  0.00           O  
HETATM   42  N   UNL     1      -2.840   3.833   0.319  1.00  0.00           N  
HETATM   43  C   UNL     1      -2.236   4.978   1.006  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.720   4.951   0.807  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.803   6.276   0.429  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.555   4.902   2.501  1.00  0.00           C  
HETATM   47  H   UNL     1       4.629  -1.646   1.545  1.00  0.00           H  
HETATM   48  H   UNL     1       5.043  -2.081  -0.131  1.00  0.00           H  
HETATM   49  H   UNL     1       9.788  -3.152  -0.002  1.00  0.00           H  
HETATM   50  H   UNL     1      10.265  -3.264   2.410  1.00  0.00           H  
HETATM   51  H   UNL     1       8.804  -2.101   4.012  1.00  0.00           H  
HETATM   52  H   UNL     1       8.281  -0.998  -1.669  1.00  0.00           H  
HETATM   53  H   UNL     1       8.113  -2.769  -1.717  1.00  0.00           H  
HETATM   54  H   UNL     1       6.692  -1.749  -1.390  1.00  0.00           H  
HETATM   55  H   UNL     1       5.808  -1.286   3.797  1.00  0.00           H  
HETATM   56  H   UNL     1       7.193  -0.317   4.354  1.00  0.00           H  
HETATM   57  H   UNL     1       6.182   0.266   3.010  1.00  0.00           H  
HETATM   58  H   UNL     1       2.386  -1.684   0.047  1.00  0.00           H  
HETATM   59  H   UNL     1       1.745   1.153  -0.214  1.00  0.00           H  
HETATM   60  H   UNL     1       0.181  -0.477   0.886  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.075  -1.554  -1.797  1.00  0.00           H  
HETATM   62  H   UNL     1       1.558  -0.782  -2.566  1.00  0.00           H  
HETATM   63  H   UNL     1       0.816   0.835  -2.527  1.00  0.00           H  
HETATM   64  H   UNL     1       3.970  -1.041  -2.667  1.00  0.00           H  
HETATM   65  H   UNL     1       2.190   2.834  -2.584  1.00  0.00           H  
HETATM   66  H   UNL     1       6.112  -0.042  -3.357  1.00  0.00           H  
HETATM   67  H   UNL     1       4.332   3.833  -3.274  1.00  0.00           H  
HETATM   68  H   UNL     1       6.294   2.395  -3.656  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.595   1.658  -0.221  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.940   0.712  -1.688  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.342   1.677  -1.071  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.165   0.731   1.712  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.101   1.824   0.663  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.278   0.058  -1.051  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.756  -1.657   0.966  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.410  -2.206  -0.596  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.952  -0.595  -1.781  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.984  -1.688  -0.763  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.599  -5.558   0.057  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.852  -3.543   1.259  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.275  -1.206  -1.376  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.952  -3.289  -2.501  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.492   3.978  -0.384  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.492   5.005  -0.258  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.270   5.802   1.318  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.315   4.026   1.218  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.884   6.296   0.571  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.354   7.128   0.940  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.576   6.330  -0.636  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.151   3.977   2.912  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.106   5.754   3.012  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.636   4.921   2.643  1.00  0.00           H  
CONECT    1    2   11   11   13                                       
CONECT    2    1   12   47   48                                       
CONECT    3    4    4    8   12                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   49                                       
CONECT    6    5    5    7   50                                       
CONECT    7    6    8    8   51                                       
CONECT    8    3    7    7   10                                       
CONECT    9    4   52   53   54                                       
CONECT   10    8   55   56   57                                       
CONECT   11    1    1                                                 
CONECT   12    2    3                                                 
CONECT   13   14   58    1                                            
CONECT   14   13   15   17   59                                       
CONECT   15   14   16   24   60                                       
CONECT   16   15   61                                                 
CONECT   17   14   18   62   63                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   21   64                                       
CONECT   20   18   22   22   65                                       
CONECT   21   19   23   23   66                                       
CONECT   22   20   20   23   67                                       
CONECT   23   21   21   22   68                                       
CONECT   24   15   69   70   25                                       
CONECT   25   26   30   24                                            
CONECT   26   25   27   31   71                                       
CONECT   27   26   28   72   73                                       
CONECT   28   27   29   74   39                                       
CONECT   29   28   30   75   76                                       
CONECT   30   25   29   77   78                                       
CONECT   31   26   32   32   42                                       
CONECT   32   31   31                                                 
CONECT   33   34   34   38                                            
CONECT   34   33   33   35   79                                       
CONECT   35   34   36   36   80                                       
CONECT   36   35   35   37   39                                       
CONECT   37   36   38   38   81                                       
CONECT   38   33   37   37   82                                       
CONECT   39   36   40   40   41                                       
CONECT   39   41   28                                                 
CONECT   40   39   39                                                 
CONECT   41   39   39                                                 
CONECT   42   31   43   83                                            
CONECT   43   42   44   45   46                                       
CONECT   44   43   84   85   86                                       
CONECT   45   43   87   88   89                                       
CONECT   46   43   90   91   92                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   42                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   45                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
