COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.140   1.764  -2.222  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.514   1.292  -0.815  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.282   1.369   0.089  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.162   0.516  -0.513  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.855   1.011  -1.928  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.066   0.916  -2.754  1.00  0.00           N  
HETATM    7  N   UNL     1      -4.572   2.151  -0.276  1.00  0.00           N  
HETATM    8  C   UNL     1       0.075   0.634   0.340  1.00  0.00           C  
HETATM    9  S   UNL     1      -6.159   1.701  -0.422  1.00  0.00           S  
HETATM   10  C   UNL     1      -6.374   0.234   0.530  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.923   2.712   0.221  1.00  0.00           O  
HETATM   12  O   UNL     1      -6.348   1.330  -1.780  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.734   0.320   1.862  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.903  -0.831   2.608  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.712  -2.069   2.023  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.352  -2.155   0.691  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.189  -1.004  -0.057  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.896  -3.323   2.837  1.00  0.00           C  
HETATM   19  O   UNL     1       0.063   1.332   1.332  1.00  0.00           O  
HETATM   20  N   UNL     1       1.194  -0.035   0.001  1.00  0.00           N  
HETATM   21  C   UNL     1       2.396   0.079   0.830  1.00  0.00           C  
HETATM   22  C   UNL     1       3.515  -0.774   0.228  1.00  0.00           C  
HETATM   23  O   UNL     1       4.004  -2.495  -1.998  1.00  0.00           O  
HETATM   24  C   UNL     1       3.072  -2.210   0.178  1.00  0.00           C  
HETATM   25  C   UNL     1       3.337  -2.996  -0.931  1.00  0.00           C  
HETATM   26  C   UNL     1       2.916  -4.321  -0.955  1.00  0.00           C  
HETATM   27  C   UNL     1       2.236  -4.851   0.122  1.00  0.00           C  
HETATM   28  C   UNL     1       1.973  -4.064   1.229  1.00  0.00           C  
HETATM   29  C   UNL     1       2.390  -2.747   1.256  1.00  0.00           C  
HETATM   30  C   UNL     1       4.063  -1.156  -2.195  1.00  0.00           C  
HETATM   31  C   UNL     1       3.832  -0.271  -1.154  1.00  0.00           C  
HETATM   32  C   UNL     1       3.895   1.092  -1.383  1.00  0.00           C  
HETATM   33  C   UNL     1       4.186   1.574  -2.645  1.00  0.00           C  
HETATM   34  C   UNL     1       4.417   0.692  -3.685  1.00  0.00           C  
HETATM   35  C   UNL     1       4.356  -0.668  -3.463  1.00  0.00           C  
HETATM   36  C   UNL     1       4.764  -0.660   1.105  1.00  0.00           C  
HETATM   37  C   UNL     1       5.211   0.801   1.169  1.00  0.00           C  
HETATM   38  C   UNL     1       6.460   0.914   2.045  1.00  0.00           C  
HETATM   39  C   UNL     1       6.907   2.376   2.109  1.00  0.00           C  
HETATM   40  O   UNL     1       8.074   2.482   2.928  1.00  0.00           O  
HETATM   41  C   UNL     1       8.576   3.813   3.055  1.00  0.00           C  
HETATM   42  H   UNL     1      -4.012   1.696  -2.872  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.798   2.798  -2.179  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.870   0.262  -0.860  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.950   2.405   0.165  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.533   0.994   1.081  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.479  -0.526  -0.552  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.524   2.049  -1.887  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.068   0.396  -2.365  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.370  -0.042  -2.840  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.342   2.983   0.165  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.883   1.287   2.319  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.183  -0.763   3.649  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.203  -3.122   0.234  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.912  -1.072  -1.099  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.932  -3.653   2.767  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.239  -4.104   2.453  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.648  -3.120   3.879  1.00  0.00           H  
HETATM   59  H   UNL     1       1.204  -0.593  -0.793  1.00  0.00           H  
HETATM   60  H   UNL     1       2.714   1.121   0.868  1.00  0.00           H  
HETATM   61  H   UNL     1       2.176  -0.270   1.839  1.00  0.00           H  
HETATM   62  H   UNL     1       3.120  -4.936  -1.819  1.00  0.00           H  
HETATM   63  H   UNL     1       1.909  -5.880   0.102  1.00  0.00           H  
HETATM   64  H   UNL     1       1.441  -4.479   2.072  1.00  0.00           H  
HETATM   65  H   UNL     1       2.183  -2.135   2.121  1.00  0.00           H  
HETATM   66  H   UNL     1       3.714   1.783  -0.572  1.00  0.00           H  
HETATM   67  H   UNL     1       4.232   2.638  -2.819  1.00  0.00           H  
HETATM   68  H   UNL     1       4.645   1.069  -4.671  1.00  0.00           H  
HETATM   69  H   UNL     1       4.536  -1.356  -4.276  1.00  0.00           H  
HETATM   70  H   UNL     1       4.535  -1.015   2.110  1.00  0.00           H  
HETATM   71  H   UNL     1       5.563  -1.267   0.678  1.00  0.00           H  
HETATM   72  H   UNL     1       5.439   1.156   0.163  1.00  0.00           H  
HETATM   73  H   UNL     1       4.412   1.408   1.595  1.00  0.00           H  
HETATM   74  H   UNL     1       6.231   0.560   3.050  1.00  0.00           H  
HETATM   75  H   UNL     1       7.259   0.308   1.619  1.00  0.00           H  
HETATM   76  H   UNL     1       7.136   2.730   1.104  1.00  0.00           H  
HETATM   77  H   UNL     1       6.108   2.983   2.535  1.00  0.00           H  
HETATM   78  H   UNL     1       9.461   3.809   3.691  1.00  0.00           H  
HETATM   79  H   UNL     1       8.839   4.198   2.069  1.00  0.00           H  
HETATM   80  H   UNL     1       7.812   4.450   3.500  1.00  0.00           H  
CONECT    1    6    2   42   43                                       
CONECT    2    1    7    3   44                                       
CONECT    3    2    4   45   46                                       
CONECT    4    5    3    8   47                                       
CONECT    5    6    4   48   49                                       
CONECT    6    1    5   50                                            
CONECT    7    9    2   51                                            
CONECT    8    4   20   19   19                                       
CONECT    9   12   12   11   11                                       
CONECT    9    7   10                                                 
CONECT   10    9   17   17   13                                       
CONECT   11    9    9                                                 
CONECT   12    9    9                                                 
CONECT   13   10   14   14   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   16   16   14   18                                       
CONECT   16   17   15   15   54                                       
CONECT   17   10   10   16   55                                       
CONECT   18   15   56   57   58                                       
CONECT   19    8    8                                                 
CONECT   20    8   21   59                                            
CONECT   21   20   22   60   61                                       
CONECT   22   36   21   24   31                                       
CONECT   23   25   30                                                 
CONECT   24   29   22   25   25                                       
CONECT   25   24   24   26   23                                       
CONECT   26   27   27   25   62                                       
CONECT   27   28   26   26   63                                       
CONECT   28   29   29   27   64                                       
CONECT   29   28   28   24   65                                       
CONECT   30   31   23   35   35                                       
CONECT   31   22   32   32   30                                       
CONECT   32   31   31   33   66                                       
CONECT   33   32   34   34   67                                       
CONECT   34   33   33   35   68                                       
CONECT   35   30   30   34   69                                       
CONECT   36   37   22   70   71                                       
CONECT   37   38   36   72   73                                       
CONECT   38   39   37   74   75                                       
CONECT   39   40   38   76   77                                       
CONECT   40   41   39                                                 
CONECT   41   40   78   79   80                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
