COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.136   0.874   1.464  1.00  0.00           C  
HETATM    2  C   UNL     1       4.607   3.213   1.471  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.797   2.151  -0.264  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.898   2.515   0.488  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.758   3.494   0.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.414   3.748  -1.939  1.00  0.00           C  
HETATM    7  C   UNL     1       1.752  -1.502  -2.279  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.626  -0.612   0.347  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.337  -0.285  -0.268  1.00  0.00           C  
HETATM   10  C   UNL     1       0.692  -1.353   0.109  1.00  0.00           C  
HETATM   11  C   UNL     1       1.925  -1.211  -0.787  1.00  0.00           C  
HETATM   12  C   UNL     1       0.137   1.080   0.236  1.00  0.00           C  
HETATM   13  N   UNL     1       3.201  -1.582  -0.169  1.00  0.00           N  
HETATM   14  C   UNL     1       3.244  -2.638   0.845  1.00  0.00           C  
HETATM   15  C   UNL     1       3.384  -3.999   0.159  1.00  0.00           C  
HETATM   16  C   UNL     1       3.621  -5.081   1.214  1.00  0.00           C  
HETATM   17  S   UNL     1       4.594  -0.806  -0.617  1.00  0.00           S  
HETATM   18  C   UNL     1       4.603   0.758   0.194  1.00  0.00           C  
HETATM   19  O   UNL     1       5.666  -1.554  -0.059  1.00  0.00           O  
HETATM   20  O   UNL     1       4.474  -0.538  -2.007  1.00  0.00           O  
HETATM   21  C   UNL     1       2.102  -4.313  -0.615  1.00  0.00           C  
HETATM   22  C   UNL     1       5.140   2.098   2.105  1.00  0.00           C  
HETATM   23  C   UNL     1       4.083   3.095   0.190  1.00  0.00           C  
HETATM   24  C   UNL     1       4.077   1.868  -0.442  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.516   4.110  -1.187  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.555   2.767  -1.478  1.00  0.00           C  
HETATM   27  N   UNL     1       4.614   4.453   2.114  1.00  0.00           N  
HETATM   28  O   UNL     1       1.075  -1.186   1.475  1.00  0.00           O  
HETATM   29  C   UNL     1       1.936  -0.062  -1.796  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.769  -0.156  -0.203  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.954  -0.456   0.362  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.730   0.525  -1.208  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.144   0.068  -0.285  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.689  -0.944  -1.308  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.983  -1.362  -0.850  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.523  -0.305  -0.035  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.283   0.238   0.743  1.00  0.00           C  
HETATM   38  O   UNL     1      -8.343  -0.888   0.996  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.468  -1.530   1.936  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.107  -0.813   1.860  1.00  0.00           C  
HETATM   41  H   UNL     1       5.547   0.005   1.958  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.087   2.033   1.436  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.618   3.777   0.614  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.226   4.229  -2.887  1.00  0.00           H  
HETATM   45  H   UNL     1       2.587  -1.969  -2.801  1.00  0.00           H  
HETATM   46  H   UNL     1       0.760  -1.795  -2.622  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.657  -1.155   1.150  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.448  -0.254  -1.351  1.00  0.00           H  
HETATM   49  H   UNL     1       0.256  -2.342  -0.028  1.00  0.00           H  
HETATM   50  H   UNL     1       1.144   1.274  -0.134  1.00  0.00           H  
HETATM   51  H   UNL     1       0.144   1.083   1.326  1.00  0.00           H  
HETATM   52  H   UNL     1       4.097  -2.475   1.504  1.00  0.00           H  
HETATM   53  H   UNL     1       2.324  -2.619   1.429  1.00  0.00           H  
HETATM   54  H   UNL     1       4.227  -3.973  -0.531  1.00  0.00           H  
HETATM   55  H   UNL     1       2.778  -5.107   1.904  1.00  0.00           H  
HETATM   56  H   UNL     1       3.721  -6.050   0.725  1.00  0.00           H  
HETATM   57  H   UNL     1       4.535  -4.856   1.765  1.00  0.00           H  
HETATM   58  H   UNL     1       1.244  -4.227   0.052  1.00  0.00           H  
HETATM   59  H   UNL     1       1.993  -3.609  -1.440  1.00  0.00           H  
HETATM   60  H   UNL     1       2.155  -5.328  -1.009  1.00  0.00           H  
HETATM   61  H   UNL     1       5.556   2.187   3.097  1.00  0.00           H  
HETATM   62  H   UNL     1       3.667   3.961  -0.306  1.00  0.00           H  
HETATM   63  H   UNL     1       3.662   1.774  -1.435  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.188   4.875  -1.547  1.00  0.00           H  
HETATM   65  H   UNL     1       0.305   2.484  -2.066  1.00  0.00           H  
HETATM   66  H   UNL     1       4.252   5.233   1.666  1.00  0.00           H  
HETATM   67  H   UNL     1       4.980   4.534   3.008  1.00  0.00           H  
HETATM   68  H   UNL     1       1.553  -0.364   1.652  1.00  0.00           H  
HETATM   69  H   UNL     1       2.893   0.419  -2.001  1.00  0.00           H  
HETATM   70  H   UNL     1       1.066   0.593  -1.823  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.923   1.019  -0.771  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.777  -0.472  -2.286  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.021  -1.804  -1.370  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.034   0.462  -0.616  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.399   1.261   1.102  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.878  -1.442   2.942  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.348  -2.581   1.672  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.320  -1.519   1.597  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.881  -0.326   2.809  1.00  0.00           H  
CONECT    1   22   18   18   41                                       
CONECT    2   27   22   22   23                                       
CONECT    3   12    4    4   26                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4   25   25   43                                       
CONECT    6   26   26   25   44                                       
CONECT    7   29   11   45   46                                       
CONECT    8    9   30   47                                            
CONECT    9   10   12    8   48                                       
CONECT   10   28   11    9   49                                       
CONECT   11   29    7   10   13                                       
CONECT   12    9    3   50   51                                       
CONECT   13   11   14   17                                            
CONECT   14   13   15   52   53                                       
CONECT   15   14   21   16   54                                       
CONECT   16   15   55   56   57                                       
CONECT   17   18   13   20   20                                       
CONECT   17   19   19                                                 
CONECT   18    1    1   24   17                                       
CONECT   19   17   17                                                 
CONECT   20   17   17                                                 
CONECT   21   15   58   59   60                                       
CONECT   22    2    2    1   61                                       
CONECT   23    2   24   24   62                                       
CONECT   24   23   23   18   63                                       
CONECT   25    5    5    6   64                                       
CONECT   26    3    6    6   65                                       
CONECT   27    2   66   67                                            
CONECT   28   10   68                                                 
CONECT   29    7   11   69   70                                       
CONECT   30    8   31   32   32                                       
CONECT   31   30   33                                                 
CONECT   32   30   30                                                 
CONECT   33   31   34   37   71                                       
CONECT   34   33   35   72   73                                       
CONECT   35   34   36                                                 
CONECT   36   38   35   37   74                                       
CONECT   37   33   40   36   75                                       
CONECT   38   39   36                                                 
CONECT   39   38   40   76   77                                       
CONECT   40   39   37   78   79                                       
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
