COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -0.977   2.132  -0.609  1.00  0.00           C  
HETATM    2  C   UNK A   2      -0.986   1.105   1.965  1.00  0.00           C  
HETATM    3  C   UNK A   2      -2.119   0.738   1.056  1.00  0.00           C  
HETATM    4  C   UNK A   1       0.322   2.089   0.137  1.00  0.00           C  
HETATM    5  N   UNK A   1       3.577   0.275  -0.273  1.00  0.00           N  
HETATM    6  O   UNK A   1       5.620  -0.539  -1.700  1.00  0.00           O  
HETATM    7  C   UNK A   1       2.595   1.099   0.145  1.00  0.00           C  
HETATM    8  C   UNK A   2      -4.774  -2.941  -0.800  1.00  0.00           C  
HETATM    9  C   UNK A   2      -3.456  -2.481  -0.233  1.00  0.00           C  
HETATM   10  C   UNK A   2      -5.636  -3.524   0.322  1.00  0.00           C  
HETATM   11  C   UNK A   2      -4.312   5.251  -1.109  1.00  0.00           C  
HETATM   12  C   UNK A   2      -3.678   4.056  -1.391  1.00  0.00           C  
HETATM   13  C   UNK A   2      -3.994   2.918  -0.672  1.00  0.00           C  
HETATM   14  C   UNK A   2      -4.947   2.976   0.328  1.00  0.00           C  
HETATM   15  C   UNK A   2      -5.582   4.171   0.609  1.00  0.00           C  
HETATM   16  C   UNK A   1       5.938  -0.188  -0.584  1.00  0.00           C  
HETATM   17  C   UNK A   1       4.869  -0.581   1.619  1.00  0.00           C  
HETATM   18  C   UNK A   1       4.543  -2.019   1.208  1.00  0.00           C  
HETATM   19  C   UNK A   1       3.805  -0.075   2.593  1.00  0.00           C  
HETATM   20  C   UNK A   1       4.645  -2.934   2.430  1.00  0.00           C  
HETATM   21  C   UNK A   1       8.269   0.164  -2.378  1.00  0.00           C  
HETATM   22  C   UNK A   1       7.923  -2.166  -1.546  1.00  0.00           C  
HETATM   23  C   UNK A   1       9.620  -0.691  -0.458  1.00  0.00           C  
HETATM   24  C   UNK A   1       8.249  -0.729  -1.136  1.00  0.00           C  
HETATM   25  N   UNK A   1       7.230  -0.243  -0.202  1.00  0.00           N  
HETATM   26  C   UNK A   1       4.890   0.311   0.376  1.00  0.00           C  
HETATM   27  O   UNK A   1       2.800   1.871   1.059  1.00  0.00           O  
HETATM   28  C   UNK A   1       1.245   1.062  -0.522  1.00  0.00           C  
HETATM   29  O   UNK A   1      -1.029   2.751  -1.651  1.00  0.00           O  
HETATM   30  N   UNK A   1       0.118   1.721   1.532  1.00  0.00           N  
HETATM   31  O   UNK A   2      -1.075   0.833   3.144  1.00  0.00           O  
HETATM   32  C   UNK A   2      -2.026  -0.751   0.715  1.00  0.00           C  
HETATM   33  N   UNK A   2      -3.329  -1.227   0.245  1.00  0.00           N  
HETATM   34  O   UNK A   2      -2.509  -3.238  -0.208  1.00  0.00           O  
HETATM   35  N   UNK A   2      -4.536  -3.971  -1.820  1.00  0.00           N  
HETATM   36  C   UNK A   2      -6.998  -3.872  -0.220  1.00  0.00           C  
HETATM   37  O   UNK A   2      -7.928  -4.402   0.590  1.00  0.00           O  
HETATM   38  O   UNK A   2      -7.254  -3.673  -1.384  1.00  0.00           O  
HETATM   39  N   UNK A   2      -2.080   1.512  -0.178  1.00  0.00           N  
HETATM   40  C   UNK A   2      -3.302   1.616  -0.979  1.00  0.00           C  
HETATM   41  C   UNK A   2      -5.265   5.308  -0.109  1.00  0.00           C  
HETATM   42  H   UNK A   2      -3.063   0.929   1.566  1.00  0.00           H  
HETATM   43  H   UNK A   1       0.792   3.071   0.093  1.00  0.00           H  
HETATM   44  H   UNK A   1       3.413  -0.342  -1.003  1.00  0.00           H  
HETATM   45  H   UNK A   2      -5.291  -2.095  -1.252  1.00  0.00           H  
HETATM   46  H   UNK A   2      -5.161  -4.424   0.715  1.00  0.00           H  
HETATM   47  H   UNK A   2      -5.739  -2.789   1.120  1.00  0.00           H  
HETATM   48  H   UNK A   2      -4.061   6.141  -1.668  1.00  0.00           H  
HETATM   49  H   UNK A   2      -2.933   4.011  -2.173  1.00  0.00           H  
HETATM   50  H   UNK A   2      -5.195   2.087   0.889  1.00  0.00           H  
HETATM   51  H   UNK A   2      -6.327   4.216   1.390  1.00  0.00           H  
HETATM   52  H   UNK A   1       5.846  -0.554   2.101  1.00  0.00           H  
HETATM   53  H   UNK A   1       3.530  -2.061   0.807  1.00  0.00           H  
HETATM   54  H   UNK A   1       5.250  -2.349   0.447  1.00  0.00           H  
HETATM   55  H   UNK A   1       3.790  -0.711   3.478  1.00  0.00           H  
HETATM   56  H   UNK A   1       4.037   0.949   2.886  1.00  0.00           H  
HETATM   57  H   UNK A   1       2.828  -0.102   2.111  1.00  0.00           H  
HETATM   58  H   UNK A   1       5.657  -2.892   2.832  1.00  0.00           H  
HETATM   59  H   UNK A   1       3.938  -2.603   3.191  1.00  0.00           H  
HETATM   60  H   UNK A   1       4.412  -3.958   2.138  1.00  0.00           H  
HETATM   61  H   UNK A   1       7.293   0.137  -2.861  1.00  0.00           H  
HETATM   62  H   UNK A   1       8.502   1.188  -2.086  1.00  0.00           H  
HETATM   63  H   UNK A   1       9.028  -0.197  -3.073  1.00  0.00           H  
HETATM   64  H   UNK A   1       8.681  -2.527  -2.241  1.00  0.00           H  
HETATM   65  H   UNK A   1       7.908  -2.802  -0.661  1.00  0.00           H  
HETATM   66  H   UNK A   1       6.946  -2.193  -2.029  1.00  0.00           H  
HETATM   67  H   UNK A   1       9.853   0.333  -0.166  1.00  0.00           H  
HETATM   68  H   UNK A   1       9.606  -1.327   0.427  1.00  0.00           H  
HETATM   69  H   UNK A   1      10.379  -1.052  -1.153  1.00  0.00           H  
HETATM   70  H   UNK A   1       7.484   0.037   0.691  1.00  0.00           H  
HETATM   71  H   UNK A   1       5.122   1.335   0.669  1.00  0.00           H  
HETATM   72  H   UNK A   1       0.815   0.066  -0.417  1.00  0.00           H  
HETATM   73  H   UNK A   1       1.356   1.300  -1.580  1.00  0.00           H  
HETATM   74  H   UNK A   1       0.814   1.932   2.174  1.00  0.00           H  
HETATM   75  H   UNK A   2      -1.281  -0.899  -0.067  1.00  0.00           H  
HETATM   76  H   UNK A   2      -1.734  -1.309   1.605  1.00  0.00           H  
HETATM   77  H   UNK A   2      -4.101  -0.641   0.279  1.00  0.00           H  
HETATM   78  H   UNK A   2      -4.058  -4.767  -1.425  1.00  0.00           H  
HETATM   79  H   UNK A   2      -5.399  -4.250  -2.261  1.00  0.00           H  
HETATM   80  H   UNK A   2      -8.787  -4.608   0.197  1.00  0.00           H  
HETATM   81  H   UNK A   2      -3.966   0.785  -0.738  1.00  0.00           H  
HETATM   82  H   UNK A   2      -3.046   1.581  -2.038  1.00  0.00           H  
HETATM   83  H   UNK A   2      -5.758   6.243   0.114  1.00  0.00           H  
CONECT    1    4   29   29   39                                       
CONECT    2   30    3   31   31                                       
CONECT    3   39    2   32   42                                       
CONECT    4   28    1   30   43                                       
CONECT    5   26    7   44                                            
CONECT    6   16   16                                                 
CONECT    7    5   27   27   28                                       
CONECT    8    9   35   10   45                                       
CONECT    9   33    8   34   34                                       
CONECT   10    8   36   46   47                                       
CONECT   11   12   41   41   48                                       
CONECT   12   13   13   11   49                                       
CONECT   13   40   12   12   14                                       
CONECT   14   13   15   15   50                                       
CONECT   15   14   14   41   51                                       
CONECT   16   25    6    6   26                                       
CONECT   17   18   26   19   52                                       
CONECT   18   20   17   53   54                                       
CONECT   19   17   55   56   57                                       
CONECT   20   18   58   59   60                                       
CONECT   21   24   61   62   63                                       
CONECT   22   24   64   65   66                                       
CONECT   23   24   67   68   69                                       
CONECT   24   22   21   25   23                                       
CONECT   25   24   16   70                                            
CONECT   26   16   17    5   71                                       
CONECT   27    7    7                                                 
CONECT   28    7    4   72   73                                       
CONECT   29    1    1                                                 
CONECT   30    4    2   74                                            
CONECT   31    2    2                                                 
CONECT   32    3   33   75   76                                       
CONECT   33   32    9   77                                            
CONECT   34    9    9                                                 
CONECT   35    8   78   79                                            
CONECT   36   38   38   37   10                                       
CONECT   37   36   80                                                 
CONECT   38   36   36                                                 
CONECT   39    1    3   40                                            
CONECT   40   39   13   81   82                                       
CONECT   41   11   11   15   83                                       
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
