COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.283   2.621   4.834  1.00  0.00           O  
HETATM    2  C   UNL     1       0.265   2.222   3.683  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.900   2.121   3.004  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.909   1.673   1.716  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.106   1.581   1.052  1.00  0.00           N  
HETATM    6  N   UNL     1       0.195   1.328   1.093  1.00  0.00           N  
HETATM    7  C   UNL     1       1.385   1.402   1.701  1.00  0.00           C  
HETATM    8  C   UNL     1       1.461   1.859   3.022  1.00  0.00           C  
HETATM    9  N   UNL     1       2.768   1.832   3.382  1.00  0.00           N  
HETATM   10  C   UNL     1       3.480   1.396   2.385  1.00  0.00           C  
HETATM   11  N   UNL     1       2.670   1.121   1.322  1.00  0.00           N  
HETATM   12  C   UNL     1       3.096   0.612   0.016  1.00  0.00           C  
HETATM   13  O   UNL     1       4.377  -0.046   0.126  1.00  0.00           O  
HETATM   14  C   UNL     1       3.332   1.780  -0.966  1.00  0.00           C  
HETATM   15  C   UNL     1       4.557   1.333  -1.794  1.00  0.00           C  
HETATM   16  O   UNL     1       4.215   1.224  -3.177  1.00  0.00           O  
HETATM   17  C   UNL     1       4.916  -0.056  -1.214  1.00  0.00           C  
HETATM   18  C   UNL     1       6.434  -0.242  -1.176  1.00  0.00           C  
HETATM   19  O   UNL     1       6.741  -1.570  -0.747  1.00  0.00           O  
HETATM   20  P   UNL     1       8.248  -2.115  -0.592  1.00  0.00           P  
HETATM   21  O   UNL     1       9.008  -1.217   0.306  1.00  0.00           O  
HETATM   22  O   UNL     1       8.220  -3.599   0.032  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.664   1.776  -2.605  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.840   2.266  -1.274  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.140   1.102  -0.332  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.499   0.519  -0.622  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.027   3.236  -1.234  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.689   4.441  -1.924  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.216   2.567  -1.919  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.383   3.369  -1.724  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.457   1.192  -1.347  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.702   0.623  -1.588  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.013  -0.647  -1.106  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.035  -1.346  -0.364  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.774  -0.763  -0.120  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.808  -1.482   0.627  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.082  -2.717   1.107  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.321  -2.629   0.134  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.585  -3.209  -0.111  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.548  -2.487  -0.857  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.272  -1.253  -1.337  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.850  -4.485   0.394  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.340  -3.325   0.877  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.644  -4.598   1.363  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.884  -5.157   1.118  1.00  0.00           C  
HETATM   46  H   UNL     1      -1.733   2.368   3.435  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.930   1.833   1.499  1.00  0.00           H  
HETATM   48  H   UNL     1       4.553   1.273   2.395  1.00  0.00           H  
HETATM   49  H   UNL     1       2.350  -0.075  -0.384  1.00  0.00           H  
HETATM   50  H   UNL     1       2.464   1.918  -1.612  1.00  0.00           H  
HETATM   51  H   UNL     1       3.551   2.698  -0.421  1.00  0.00           H  
HETATM   52  H   UNL     1       5.385   2.029  -1.658  1.00  0.00           H  
HETATM   53  H   UNL     1       3.981   2.066  -3.592  1.00  0.00           H  
HETATM   54  H   UNL     1       4.452  -0.846  -1.805  1.00  0.00           H  
HETATM   55  H   UNL     1       6.845  -0.077  -2.172  1.00  0.00           H  
HETATM   56  H   UNL     1       6.871   0.475  -0.480  1.00  0.00           H  
HETATM   57  H   UNL     1       9.096  -3.991   0.153  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.488   2.466  -3.259  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.935   2.779  -0.949  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.383   0.330  -0.463  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.280   3.464  -0.198  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.397   5.099  -1.936  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.014   2.481  -2.986  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.182   3.007  -2.133  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.439   1.171  -2.157  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.841  -1.039   0.815  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.330  -3.247   1.673  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.516  -2.928  -1.046  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.023  -0.721  -1.903  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.810  -4.946   0.218  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.909  -5.148   1.933  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.103  -6.142   1.502  1.00  0.00           H  
HETATM   73  O   UNL     1       8.956  -2.154  -2.038  1.00  0.00           O  
HETATM   74  H   UNL     1       8.511  -2.724  -2.679  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    3    1    1                                       
CONECT    3    4    2   46                                            
CONECT    4    6    6    5    3                                       
CONECT    5   25    4   47                                            
CONECT    6    7    4    4                                            
CONECT    7   11    6    8    8                                       
CONECT    8    7    7    9    2                                       
CONECT    9   10   10    8                                            
CONECT   10   11    9    9   48                                       
CONECT   11   12   10    7                                            
CONECT   12   14   13   11   49                                       
CONECT   13   17   12                                                 
CONECT   14   15   12   50   51                                       
CONECT   15   16   17   14   52                                       
CONECT   16   15   53                                                 
CONECT   17   15   18   13   54                                       
CONECT   18   17   19   55   56                                       
CONECT   19   18   20                                                 
CONECT   20   21   21   19   22                                       
CONECT   20   73                                                      
CONECT   21   20   20                                                 
CONECT   22   20   57                                                 
CONECT   23   24   58                                                 
CONECT   24   23   25   27   59                                       
CONECT   25   26   24    5   60                                       
CONECT   26   35   35   25   31                                       
CONECT   27   24   29   28   61                                       
CONECT   28   27   62                                                 
CONECT   29   31   27   30   63                                       
CONECT   30   29   64                                                 
CONECT   31   32   32   26   29                                       
CONECT   32   33   31   31   65                                       
CONECT   33   41   41   34   32                                       
CONECT   34   38   38   33   35                                       
CONECT   35   34   36   26   26                                       
CONECT   36   37   37   35   66                                       
CONECT   37   43   36   36   67                                       
CONECT   38   39   43   34   34                                       
CONECT   39   42   40   40   38                                       
CONECT   40   39   39   41   68                                       
CONECT   41   40   33   33   69                                       
CONECT   42   45   45   39   70                                       
CONECT   43   44   44   38   37                                       
CONECT   44   45   43   43   71                                       
CONECT   45   42   42   44   72                                       
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   40                                                      
CONECT   69   41                                                      
CONECT   70   42                                                      
CONECT   71   44                                                      
CONECT   72   45                                                      
CONECT   73   20   74                                                 
CONECT   74   73                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
