COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.709   0.774  -0.237  1.00  0.00           C  
HETATM    2  C   UNL     1      10.102   0.212  -1.605  1.00  0.00           C  
HETATM    3  C   UNL     1      10.179   2.202  -0.126  1.00  0.00           C  
HETATM    4  O   UNL     1       4.054   1.523   2.669  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.387   1.035  -1.290  1.00  0.00           O  
HETATM    6  N   UNL     1      -3.300   1.873  -0.882  1.00  0.00           N  
HETATM    7  C   UNL     1       4.286  -3.625   0.511  1.00  0.00           C  
HETATM    8  C   UNL     1       5.577   0.401   0.271  1.00  0.00           C  
HETATM    9  CA  UNL     1       3.345   1.364   0.429  1.00  0.00           C  
HETATM   10  C   UNL     1       3.359   1.990   1.799  1.00  0.00           C  
HETATM   11  C   UNL     1       1.925   0.903   0.094  1.00  0.00           C  
HETATM   12  C   UNL     1       1.455  -0.105   1.145  1.00  0.00           C  
HETATM   13  C   UNL     1       0.076  -0.597   0.788  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.153  -1.882   0.678  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.110   2.025  -0.639  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.212   2.047   0.096  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.891  -2.305  -1.476  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.183  -3.677  -1.562  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.246  -4.210  -0.620  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.887  -3.211   0.319  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.204   0.775   0.686  1.00  0.00           C  
HETATM   22  O   UNL     1     -10.095  -0.273  -0.046  1.00  0.00           O  
HETATM   23  S   UNL     1      -9.925   0.722   0.954  1.00  0.00           S  
HETATM   24  O   UNL     1     -10.077   2.091   0.604  1.00  0.00           O  
HETATM   25  C   UNL     1     -11.043   0.352   2.334  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.297   0.499   1.721  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.830   0.587   1.332  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.784   0.851   0.341  1.00  0.00           N  
HETATM   29  O   UNL     1      -4.472   3.096   0.657  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.213  -0.084  -0.504  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.556  -1.514  -0.563  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.509  -1.976   0.278  1.00  0.00           N  
HETATM   33  O   UNL     1      -6.280  -4.799  -1.410  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.611  -4.401  -2.354  1.00  0.00           O  
HETATM   35  N   UNL     1      -3.324   0.520  -1.248  1.00  0.00           N  
HETATM   36  S   UNL     1      -2.333   3.046  -1.538  1.00  0.00           S  
HETATM   37  O   UNL     1      -1.967   2.588  -2.832  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.992   4.284  -1.309  1.00  0.00           O  
HETATM   39  N   UNL     1      -0.939   3.088  -0.645  1.00  0.00           N  
HETATM   40  N   UNL     1       1.024   2.058   0.088  1.00  0.00           N  
HETATM   41  N   UNL     1       4.250   0.213   0.408  1.00  0.00           N  
HETATM   42  O   UNL     1       6.031   1.528   0.246  1.00  0.00           O  
HETATM   43  C   UNL     1       6.483  -0.765   0.152  1.00  0.00           C  
HETATM   44  N   UNL     1       7.754  -0.583  -0.072  1.00  0.00           N  
HETATM   45  O   UNL     1       8.288   0.728  -0.093  1.00  0.00           O  
HETATM   46  O   UNL     1      11.493   2.478  -0.131  1.00  0.00           O  
HETATM   47  O   UNL     1       9.374   3.097  -0.034  1.00  0.00           O  
HETATM   48  C   UNL     1      10.361  -0.064   0.865  1.00  0.00           C  
HETATM   49  C   UNL     1       5.945  -2.136   0.286  1.00  0.00           C  
HETATM   50  N   UNL     1       4.640  -2.383   0.399  1.00  0.00           N  
HETATM   51  N   UNL     1       2.983  -4.077   0.638  1.00  0.00           N  
HETATM   52  S   UNL     1       5.717  -4.651   0.470  1.00  0.00           S  
HETATM   53  C   UNL     1       6.739  -3.225   0.302  1.00  0.00           C  
HETATM   54  H   UNL     1      11.186   0.248  -1.714  1.00  0.00           H  
HETATM   55  H   UNL     1       9.762  -0.820  -1.685  1.00  0.00           H  
HETATM   56  H   UNL     1       9.638   0.809  -2.390  1.00  0.00           H  
HETATM   57  HA  UNL     1       3.672   2.097  -0.309  1.00  0.00           H  
HETATM   58  H   UNL     1       2.748   2.857   2.003  1.00  0.00           H  
HETATM   59  H   UNL     1       1.918   0.432  -0.889  1.00  0.00           H  
HETATM   60  H   UNL     1       2.145  -0.947   1.175  1.00  0.00           H  
HETATM   61  H   UNL     1       1.427   0.377   2.123  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.724   0.110   0.623  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.115  -2.232   0.336  1.00  0.00           H  
HETATM   64  H   UNL     1       0.622  -2.592   0.929  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.143  -1.870  -2.122  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.796  -4.999  -0.017  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.650  -3.527   1.015  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.311   0.082  -0.149  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.298   1.799   0.323  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.868  -0.668   2.679  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.855   1.049   3.151  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.076   0.451   2.002  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.203  -0.524   2.084  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.190   1.192   2.555  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.723   1.280   2.167  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.736  -0.436   1.695  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.008  -5.170  -0.892  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.718   3.877  -0.126  1.00  0.00           H  
HETATM   79  H   UNL     1       1.245   2.848   0.607  1.00  0.00           H  
HETATM   80  H   UNL     1       3.894  -0.686   0.493  1.00  0.00           H  
HETATM   81  H   UNL     1      11.746   3.408  -0.058  1.00  0.00           H  
HETATM   82  H   UNL     1      10.081   0.336   1.839  1.00  0.00           H  
HETATM   83  H   UNL     1      10.021  -1.097   0.785  1.00  0.00           H  
HETATM   84  H   UNL     1      11.445  -0.029   0.755  1.00  0.00           H  
HETATM   85  H   UNL     1       2.249  -3.443   0.647  1.00  0.00           H  
HETATM   86  H   UNL     1       2.805  -5.027   0.717  1.00  0.00           H  
HETATM   87  H   UNL     1       7.816  -3.224   0.222  1.00  0.00           H  
CONECT    1   48   45    3    2                                       
CONECT    2    1   54   55   56                                       
CONECT    3   47   47    1   46                                       
CONECT    4   10   10                                                 
CONECT    5   15   15                                                 
CONECT    6   35   36   16                                            
CONECT    7   52   50   50   51                                       
CONECT    8   42   42   41   43                                       
CONECT    9   11   10   41   57                                       
CONECT   10    9    4    4   58                                       
CONECT   11   12    9   40   59                                       
CONECT   12   13   11   60   61                                       
CONECT   13   14   14   12   62                                       
CONECT   14   13   13   63   64                                       
CONECT   15    5    5   40   39                                       
CONECT   16   28    6   29   29                                       
CONECT   17   18   31   31   65                                       
CONECT   18   19   34   34   17                                       
CONECT   19   33   20   18   66                                       
CONECT   20   19   32   32   67                                       
CONECT   21   26   27   68   69                                       
CONECT   22   23   23                                                 
CONECT   23   25   22   22   24                                       
CONECT   23   24   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   70   71   72                                       
CONECT   26   23   21   73   74                                       
CONECT   27   21   28   75   76                                       
CONECT   28   30   27   16                                            
CONECT   29   16   16                                                 
CONECT   30   31   35   35   28                                       
CONECT   31   32   17   17   30                                       
CONECT   32   20   20   31                                            
CONECT   33   19   77                                                 
CONECT   34   18   18                                                 
CONECT   35   30   30    6                                            
CONECT   36   38   38    6   39                                       
CONECT   36   37   37                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39   15   36   78                                            
CONECT   40   11   15   79                                            
CONECT   41    9    8   80                                            
CONECT   42    8    8                                                 
CONECT   43    8   44   44   49                                       
CONECT   44   45   43   43                                            
CONECT   45   44    1                                                 
CONECT   46    3   81                                                 
CONECT   47    3    3                                                 
CONECT   48    1   82   83   84                                       
CONECT   49   43   53   53   50                                       
CONECT   50   49    7    7                                            
CONECT   51    7   85   86                                            
CONECT   52   53    7                                                 
CONECT   53   49   49   52   87                                       
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   33                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   46                                                      
CONECT   82   48                                                      
CONECT   83   48                                                      
CONECT   84   48                                                      
CONECT   85   51                                                      
CONECT   86   51                                                      
CONECT   87   53                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
