COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.677   1.870  -1.706  1.00  0.00           C  
HETATM    2  C   UNL     1       4.954   0.844  -0.805  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.229   1.018   0.183  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.436   0.749  -0.717  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.206   0.602   0.054  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.756  -1.192  -0.833  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.981  -3.468  -0.604  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.503  -2.401  -1.972  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.867  -1.179  -1.692  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.171   0.866  -1.507  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.918   0.461  -0.760  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.720   0.852   0.108  1.00  0.00           C  
HETATM   13  C   UNL     1       5.590  -0.510  -1.192  1.00  0.00           C  
HETATM   14  C   UNL     1       4.787  -2.176   0.521  1.00  0.00           C  
HETATM   15  C   UNL     1       2.784  -3.372   0.944  1.00  0.00           C  
HETATM   16  C   UNL     1       4.550  -3.730   2.400  1.00  0.00           C  
HETATM   17  C   UNL     1       5.364  -2.786   1.628  1.00  0.00           C  
HETATM   18  C   UNL     1       6.857  -1.480   0.763  1.00  0.00           C  
HETATM   19  C   UNL     1       6.664   1.015  -2.531  1.00  0.00           C  
HETATM   20  C   UNL     1       7.978   1.770  -2.739  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.338   0.111  -0.735  1.00  0.00           N  
HETATM   22  N   UNL     1      -6.352  -2.348  -0.317  1.00  0.00           N  
HETATM   23  N   UNL     1      -8.030  -3.506  -1.405  1.00  0.00           N  
HETATM   24  N   UNL     1      -9.603  -2.451  -2.811  1.00  0.00           N  
HETATM   25  N   UNL     1      -8.067   0.107  -2.068  1.00  0.00           N  
HETATM   26  N   UNL     1       5.739  -1.360  -0.008  1.00  0.00           N  
HETATM   27  N   UNL     1       3.491  -2.485   0.196  1.00  0.00           N  
HETATM   28  N   UNL     1       1.492  -3.653   0.586  1.00  0.00           N  
HETATM   29  N   UNL     1       3.292  -3.970   1.999  1.00  0.00           N  
HETATM   30  N   UNL     1       6.632  -2.323   1.730  1.00  0.00           N  
HETATM   31  O   UNL     1       4.744   2.526  -2.566  1.00  0.00           O  
HETATM   32  O   UNL     1       3.552   0.836  -1.080  1.00  0.00           O  
HETATM   33  O   UNL     1       0.971   0.923  -0.589  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.414   1.977   0.382  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.772  -0.893  -1.191  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.884   2.194   0.570  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.470   2.185   2.661  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.935   4.203   2.266  1.00  0.00           O  
HETATM   39  O   UNL     1       2.625   0.238   1.190  1.00  0.00           O  
HETATM   40  O   UNL     1       5.010  -4.292   3.382  1.00  0.00           O  
HETATM   41  O   UNL     1       6.885  -0.168  -1.732  1.00  0.00           O  
HETATM   42  O   UNL     1       8.832   1.013  -3.600  1.00  0.00           O  
HETATM   43  P   UNL     1       2.436   1.148   0.038  1.00  0.00           P  
HETATM   44  P   UNL     1      -2.783   2.606   2.123  1.00  0.00           P  
HETATM   45  S   UNL     1       2.627   3.158   0.685  1.00  0.00           S  
HETATM   46  S   UNL     1      -4.332   1.649   3.210  1.00  0.00           S  
HETATM   47  H   UNL     1       6.217   2.597  -1.099  1.00  0.00           H  
HETATM   48  H   UNL     1       5.136   1.064   0.247  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.308   2.019   0.608  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.203   0.283   0.986  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.462   1.485  -1.521  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.357  -0.251  -1.143  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.122   0.018   0.970  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.627  -4.390  -0.167  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.097   1.936  -1.635  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.965   1.116  -1.630  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.657   0.179   0.964  1.00  0.00           H  
HETATM   58  H   UNL     1       4.983  -1.012  -1.945  1.00  0.00           H  
HETATM   59  H   UNL     1       7.786  -0.955   0.598  1.00  0.00           H  
HETATM   60  H   UNL     1       6.224   0.748  -3.492  1.00  0.00           H  
HETATM   61  H   UNL     1       7.772   2.739  -3.192  1.00  0.00           H  
HETATM   62  H   UNL     1       8.470   1.916  -1.777  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.943  -1.636  -3.213  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.033  -3.300  -2.997  1.00  0.00           H  
HETATM   65  H   UNL     1       3.075  -2.066  -0.574  1.00  0.00           H  
HETATM   66  H   UNL     1       1.099  -3.222  -0.189  1.00  0.00           H  
HETATM   67  H   UNL     1       0.971  -4.283   1.107  1.00  0.00           H  
HETATM   68  H   UNL     1       5.144   3.182  -3.153  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.498   2.557  -0.387  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.724  -1.533  -0.468  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.884   4.523   3.177  1.00  0.00           H  
HETATM   72  H   UNL     1       9.685   1.432  -3.776  1.00  0.00           H  
HETATM   73  H   UNL     1       2.435   3.859  -0.446  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.445   2.229   2.725  1.00  0.00           H  
CONECT    1    2   19   31   47                                       
CONECT    2    1   13   32   48                                       
CONECT    3    4   33   49   50                                       
CONECT    4    3   12   51   52                                       
CONECT    5   11   21   34   53                                       
CONECT    6    9    9   21   22                                       
CONECT    7   22   22   23   54                                       
CONECT    8    9   23   23   24                                       
CONECT    9    6    6    8   25                                       
CONECT   10   21   25   25   55                                       
CONECT   11    5   12   35   56                                       
CONECT   12    4   11   36   57                                       
CONECT   13    2   26   41   58                                       
CONECT   14   17   17   26   27                                       
CONECT   15   27   28   29   29                                       
CONECT   16   17   29   40   40                                       
CONECT   17   14   14   16   30                                       
CONECT   18   26   30   30   59                                       
CONECT   19    1   20   41   60                                       
CONECT   20   19   42   61   62                                       
CONECT   21    5    6   10                                            
CONECT   22    6    7    7                                            
CONECT   23    7    8    8                                            
CONECT   24    8   63   64                                            
CONECT   25    9   10   10                                            
CONECT   26   13   14   18                                            
CONECT   27   14   15   65                                            
CONECT   28   15   66   67                                            
CONECT   29   15   15   16                                            
CONECT   30   17   18   18                                            
CONECT   31    1   68                                                 
CONECT   32    2   43                                                 
CONECT   33    3   43                                                 
CONECT   34    5   69                                                 
CONECT   35   11   70                                                 
CONECT   36   12   44                                                 
CONECT   37   44   44                                                 
CONECT   38   44   71                                                 
CONECT   39   43   43                                                 
CONECT   40   16   16                                                 
CONECT   41   13   19                                                 
CONECT   42   20   72                                                 
CONECT   43   32   33   39   39                                       
CONECT   43   45                                                      
CONECT   44   36   37   37   38                                       
CONECT   44   46                                                      
CONECT   45   43   73                                                 
CONECT   46   44   74                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   42                                                      
CONECT   73   45                                                      
CONECT   74   46                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
