COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.304  -1.520  -0.258  1.00  0.00           O  
HETATM    2  C   UNL     1       2.888  -0.379  -0.265  1.00  0.00           C  
HETATM    3  O   UNL     1       3.737   0.646  -0.469  1.00  0.00           O  
HETATM    4  C   UNL     1       5.135   0.313  -0.672  1.00  0.00           C  
HETATM    5  C   UNL     1       6.042   1.452  -0.159  1.00  0.00           C  
HETATM    6  C   UNL     1       5.156   2.653   0.236  1.00  0.00           C  
HETATM    7  C   UNL     1       5.452   3.714  -0.846  1.00  0.00           C  
HETATM    8  O   UNL     1       6.766   3.380  -1.341  1.00  0.00           O  
HETATM    9  C   UNL     1       6.790   1.940  -1.432  1.00  0.00           C  
HETATM   10  O   UNL     1       5.947   1.535  -2.531  1.00  0.00           O  
HETATM   11  C   UNL     1       5.456   0.224  -2.180  1.00  0.00           C  
HETATM   12  N   UNL     1       1.575  -0.139  -0.075  1.00  0.00           N  
HETATM   13  C   UNL     1       0.650  -1.254   0.140  1.00  0.00           C  
HETATM   14  C   UNL     1       0.646  -1.633   1.622  1.00  0.00           C  
HETATM   15  C   UNL     1       2.003  -2.160   2.011  1.00  0.00           C  
HETATM   16  C   UNL     1       2.279  -3.510   1.898  1.00  0.00           C  
HETATM   17  C   UNL     1       3.524  -3.994   2.254  1.00  0.00           C  
HETATM   18  C   UNL     1       4.494  -3.127   2.722  1.00  0.00           C  
HETATM   19  C   UNL     1       4.219  -1.777   2.833  1.00  0.00           C  
HETATM   20  C   UNL     1       2.975  -1.293   2.474  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.759  -0.837  -0.284  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.224   0.210   0.571  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.701  -2.039  -0.177  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.016  -1.678  -0.712  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.235  -1.653  -2.161  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.632  -3.049  -2.641  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.994  -2.994  -4.127  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.461  -4.012  -2.437  1.00  0.00           C  
HETATM   29  S   UNL     1      -4.254  -1.300   0.319  1.00  0.00           S  
HETATM   30  O   UNL     1      -5.455  -1.683  -0.338  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.877  -1.793   1.597  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.301   0.456   0.457  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.973   1.204  -0.494  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.013   2.579  -0.392  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.670   1.081   1.518  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.703   2.455   1.632  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.374   3.216   0.673  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.412   4.688   0.789  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.860   5.239   1.719  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.061   5.420  -0.139  1.00  0.00           O  
HETATM   41  H   UNL     1       5.380  -0.624  -0.172  1.00  0.00           H  
HETATM   42  H   UNL     1       6.716   1.131   0.635  1.00  0.00           H  
HETATM   43  H   UNL     1       4.103   2.373   0.218  1.00  0.00           H  
HETATM   44  H   UNL     1       5.436   3.025   1.222  1.00  0.00           H  
HETATM   45  H   UNL     1       4.717   3.653  -1.648  1.00  0.00           H  
HETATM   46  H   UNL     1       5.455   4.712  -0.407  1.00  0.00           H  
HETATM   47  H   UNL     1       7.802   1.543  -1.503  1.00  0.00           H  
HETATM   48  H   UNL     1       6.222  -0.530  -2.362  1.00  0.00           H  
HETATM   49  H   UNL     1       4.554  -0.007  -2.747  1.00  0.00           H  
HETATM   50  H   UNL     1       1.243   0.773  -0.081  1.00  0.00           H  
HETATM   51  H   UNL     1       0.970  -2.111  -0.453  1.00  0.00           H  
HETATM   52  H   UNL     1       0.412  -0.754   2.222  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.107  -2.403   1.798  1.00  0.00           H  
HETATM   54  H   UNL     1       1.521  -4.188   1.533  1.00  0.00           H  
HETATM   55  H   UNL     1       3.739  -5.049   2.167  1.00  0.00           H  
HETATM   56  H   UNL     1       5.466  -3.505   3.001  1.00  0.00           H  
HETATM   57  H   UNL     1       4.976  -1.100   3.199  1.00  0.00           H  
HETATM   58  H   UNL     1       2.761  -0.238   2.557  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.739  -0.483  -1.314  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.335  -0.056   1.494  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.292  -2.872  -0.748  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.801  -2.329   0.869  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.032  -0.947  -2.395  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.317  -1.344  -2.661  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.493  -3.399  -2.071  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.134  -2.645  -4.698  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.278  -3.989  -4.469  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.829  -2.308  -4.272  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.563  -3.593  -2.892  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.293  -4.158  -1.370  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.692  -4.970  -2.903  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.466   0.710  -1.318  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.537   3.161  -1.135  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.151   0.491   2.259  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.211   2.941   2.462  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.059   6.379  -0.021  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   12    1    1    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   11   41                                       
CONECT    5    6    4    9   42                                       
CONECT    6    7    5   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9                                                 
CONECT    9    5    8   10   47                                       
CONECT   10   11    9                                                 
CONECT   11    4   10   48   49                                       
CONECT   12   13    2   50                                            
CONECT   13   14   21   12   51                                       
CONECT   14   15   13   52   53                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   54                                       
CONECT   17   16   18   18   55                                       
CONECT   18   17   17   19   56                                       
CONECT   19   20   20   18   57                                       
CONECT   20   15   19   19   58                                       
CONECT   21   23   22   13   59                                       
CONECT   22   21   60                                                 
CONECT   23   24   21   61   62                                       
CONECT   24   29   25   23                                            
CONECT   25   24   26   63   64                                       
CONECT   26   25   27   28   65                                       
CONECT   27   26   66   67   68                                       
CONECT   28   26   69   70   71                                       
CONECT   29   32   30   30   31                                       
CONECT   29   31   24                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   35   35   33   29                                       
CONECT   33   34   34   32   72                                       
CONECT   34   37   33   33   73                                       
CONECT   35   36   32   32   74                                       
CONECT   36   37   37   35   75                                       
CONECT   37   38   36   36   34                                       
CONECT   38   39   39   40   37                                       
CONECT   39   38   38                                                 
CONECT   40   38   76                                                 
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
