COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       9.629  -2.083  -0.197  1.00  0.00           P  
HETATM    2  N   UNL     1       2.001   2.917  -0.422  1.00  0.00           N  
HETATM    3  C   UNL     1       1.919   4.233  -0.191  1.00  0.00           C  
HETATM    4  O   UNL     1       2.794   4.964  -0.616  1.00  0.00           O  
HETATM    5  N   UNL     1       0.898   4.770   0.498  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.180   4.033   0.823  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.068   4.526   1.484  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.769   1.737   1.455  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.564  -0.522   1.835  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.468  -1.880   1.583  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.494  -2.360   0.727  1.00  0.00           C  
HETATM   12  C   UNL     1       0.396  -1.491   0.122  1.00  0.00           C  
HETATM   13  C   UNL     1       2.368   0.234  -0.967  1.00  0.00           C  
HETATM   14  C   UNL     1       1.040   2.092  -0.105  1.00  0.00           C  
HETATM   15  N   UNL     1       1.220   0.755  -0.221  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.278   2.535  -0.791  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.389   1.331  -0.710  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.588   2.099   0.344  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.626   3.036  -0.341  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.962   4.286  -0.544  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.301   0.442  -0.061  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.310   4.786  -0.094  1.00  0.00           C  
HETATM   23  O   UNL     1      10.540  -2.395   1.093  1.00  0.00           O  
HETATM   24  C   UNL     1       3.554   0.053  -0.018  1.00  0.00           C  
HETATM   25  O   UNL     1       3.896   1.314   0.562  1.00  0.00           O  
HETATM   26  O   UNL     1      -8.662  -2.873  -1.212  1.00  0.00           O  
HETATM   27  O   UNL     1      10.372  -1.001  -1.130  1.00  0.00           O  
HETATM   28  C   UNL     1       4.753  -0.491  -0.797  1.00  0.00           C  
HETATM   29  O   UNL     1       4.411  -1.752  -1.377  1.00  0.00           O  
HETATM   30  O   UNL     1      -8.865  -3.051   1.297  1.00  0.00           O  
HETATM   31  O   UNL     1       9.415  -3.331  -0.963  1.00  0.00           O  
HETATM   32  C   UNL     1       5.939  -0.672   0.153  1.00  0.00           C  
HETATM   33  O   UNL     1       6.281   0.588   0.733  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.817  -4.083   0.012  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.291   2.609   0.376  1.00  0.00           C  
HETATM   36  C   UNL     1       7.138  -1.217  -0.626  1.00  0.00           C  
HETATM   37  O   UNL     1       8.208  -1.495   0.279  1.00  0.00           O  
HETATM   38  P   UNL     1      -7.875  -2.870   0.041  1.00  0.00           P  
HETATM   39  C   UNL     1      -0.682   0.352   1.227  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.086  -1.473   0.175  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.369   0.366  -1.682  1.00  0.00           O  
HETATM   42  C   UNL     1      -2.427  -2.837   2.243  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.532  -1.361  -1.811  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.400  -3.838   0.452  1.00  0.00           C  
HETATM   45  P   UNL     1      -6.305  -0.525  -0.865  1.00  0.00           P  
HETATM   46  C   UNL     1       0.310  -0.129   0.370  1.00  0.00           C  
HETATM   47  H   UNL     1       0.938   5.702   0.764  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.127   2.097   2.282  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.325  -0.148   2.504  1.00  0.00           H  
HETATM   50  H   UNL     1       1.156  -1.872  -0.543  1.00  0.00           H  
HETATM   51  H   UNL     1       2.107  -0.728  -1.410  1.00  0.00           H  
HETATM   52  H   UNL     1       2.638   0.936  -1.756  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.368   1.502  -1.126  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.916   3.153  -1.612  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.945   2.035  -1.328  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.707   0.757  -1.337  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.270   2.673   0.971  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.031   1.395   0.962  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.273   4.957  -1.035  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.095   4.218  -0.594  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.403   4.661   0.985  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.409   5.842  -0.347  1.00  0.00           H  
HETATM   63  H   UNL     1      11.413  -2.752   0.881  1.00  0.00           H  
HETATM   64  H   UNL     1       3.284  -0.649   0.771  1.00  0.00           H  
HETATM   65  H   UNL     1       4.147   1.988  -0.083  1.00  0.00           H  
HETATM   66  H   UNL     1      10.544  -0.156  -0.692  1.00  0.00           H  
HETATM   67  H   UNL     1       5.023   0.210  -1.586  1.00  0.00           H  
HETATM   68  H   UNL     1       4.160  -2.427  -0.732  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.374  -3.873   1.282  1.00  0.00           H  
HETATM   70  H   UNL     1       5.669  -1.374   0.942  1.00  0.00           H  
HETATM   71  H   UNL     1       6.532   1.263   0.088  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.265  -4.143   0.804  1.00  0.00           H  
HETATM   73  H   UNL     1       6.850  -2.133  -1.141  1.00  0.00           H  
HETATM   74  H   UNL     1       7.463  -0.476  -1.357  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.911   0.940  -1.125  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.304  -2.966   1.609  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.938  -3.800   2.386  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.732  -2.437   3.209  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.022  -4.089  -0.407  1.00  0.00           H  
HETATM   80  H   UNL     1       0.636  -4.104   0.241  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.746  -4.392   1.325  1.00  0.00           H  
CONECT    1   23   27   31   31                                       
CONECT    1   37                                                      
CONECT    2    3   14   14                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   47                                            
CONECT    6    5    7    7   35                                       
CONECT    7    6    6                                                 
CONECT    8   35   39   48                                            
CONECT    9   10   39   39   49                                       
CONECT   10    9   11   11   42                                       
CONECT   11   10   10   12   44                                       
CONECT   12   11   46   46   50                                       
CONECT   13   15   24   51   52                                       
CONECT   14    2    2   15   35                                       
CONECT   15   13   14   46                                            
CONECT   16   19   35   53   54                                       
CONECT   17   18   21   55   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   16   18   20   20                                       
CONECT   20   19   19   22   59                                       
CONECT   21   17   45                                                 
CONECT   22   20   60   61   62                                       
CONECT   23    1   63                                                 
CONECT   24   13   25   28   64                                       
CONECT   25   24   65                                                 
CONECT   26   38   38                                                 
CONECT   27    1   66                                                 
CONECT   28   24   29   32   67                                       
CONECT   29   28   68                                                 
CONECT   30   38   69                                                 
CONECT   31    1    1                                                 
CONECT   32   28   33   36   70                                       
CONECT   33   32   71                                                 
CONECT   34   38   72                                                 
CONECT   35    6    8   14   16                                       
CONECT   36   32   37   73   74                                       
CONECT   37    1   36                                                 
CONECT   38   26   26   30   34                                       
CONECT   38   40                                                      
CONECT   39    8    9    9   46                                       
CONECT   40   38   45                                                 
CONECT   41   45   75                                                 
CONECT   42   10   76   77   78                                       
CONECT   43   45   45                                                 
CONECT   44   11   79   80   81                                       
CONECT   45   21   40   41   43                                       
CONECT   45   43                                                      
CONECT   46   12   12   15   39                                       
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
