COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.327   2.921  -0.371  1.00  0.00           P  
HETATM    2  O   UNL     1       0.141   3.284  -1.868  1.00  0.00           O  
HETATM    3  O   UNL     1      -0.456   4.166   0.421  1.00  0.00           O  
HETATM    4  O   UNL     1       0.767   1.960   0.315  1.00  0.00           O  
HETATM    5  C   UNL     1       2.103   2.379   0.600  1.00  0.00           C  
HETATM    6  C   UNL     1       2.872   1.226   1.248  1.00  0.00           C  
HETATM    7  O   UNL     1       3.039   0.157   0.301  1.00  0.00           O  
HETATM    8  C   UNL     1       4.319  -0.453   0.576  1.00  0.00           C  
HETATM    9  N   UNL     1       4.805  -1.181  -0.599  1.00  0.00           N  
HETATM   10  C   UNL     1       5.704  -2.218  -0.596  1.00  0.00           C  
HETATM   11  N   UNL     1       6.384  -2.868   0.343  1.00  0.00           N  
HETATM   12  C   UNL     1       7.196  -3.853   0.023  1.00  0.00           C  
HETATM   13  N   UNL     1       7.380  -4.242  -1.226  1.00  0.00           N  
HETATM   14  C   UNL     1       6.744  -3.651  -2.232  1.00  0.00           C  
HETATM   15  N   UNL     1       6.943  -4.067  -3.537  1.00  0.00           N  
HETATM   16  C   UNL     1       5.865  -2.595  -1.940  1.00  0.00           C  
HETATM   17  N   UNL     1       5.070  -1.784  -2.679  1.00  0.00           N  
HETATM   18  C   UNL     1       4.444  -0.957  -1.894  1.00  0.00           C  
HETATM   19  C   UNL     1       5.237   0.757   0.886  1.00  0.00           C  
HETATM   20  O   UNL     1       6.337   0.364   1.709  1.00  0.00           O  
HETATM   21  P   UNL     1       7.873   0.525   1.254  1.00  0.00           P  
HETATM   22  O   UNL     1       8.077  -0.157  -0.044  1.00  0.00           O  
HETATM   23  O   UNL     1       8.227   2.088   1.100  1.00  0.00           O  
HETATM   24  O   UNL     1       8.833  -0.136   2.364  1.00  0.00           O  
HETATM   25  C   UNL     1       4.280   1.700   1.656  1.00  0.00           C  
HETATM   26  O   UNL     1       4.466   1.559   3.066  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.749   2.168  -0.421  1.00  0.00           O  
HETATM   28  P   UNL     1      -3.263   2.651  -0.680  1.00  0.00           P  
HETATM   29  O   UNL     1      -3.295   3.572  -1.837  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.814   3.412   0.627  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.190   1.371  -0.986  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.565   1.478  -1.360  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.144   0.078  -1.576  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.179  -0.635  -0.328  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.596   0.185  -2.083  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.725  -0.435  -3.364  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.425  -0.582  -1.024  1.00  0.00           C  
HETATM   38  O   UNL     1      -9.437  -1.376  -1.645  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.351  -1.478  -0.357  1.00  0.00           C  
HETATM   40  N   UNL     1      -7.756  -1.844   1.003  1.00  0.00           N1+
HETATM   41  C   UNL     1      -8.201  -3.063   1.232  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.510  -2.519   3.547  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.031  -1.251   3.260  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.660  -0.946   1.964  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.594  -3.445   2.509  1.00  0.00           C  
HETATM   46  N   UNL     1      -9.066  -4.738   2.749  1.00  0.00           N  
HETATM   47  H   UNL     1       0.246   2.515  -2.445  1.00  0.00           H  
HETATM   48  H   UNL     1       2.597   2.671  -0.327  1.00  0.00           H  
HETATM   49  H   UNL     1       2.079   3.229   1.282  1.00  0.00           H  
HETATM   50  H   UNL     1       2.332   0.866   2.123  1.00  0.00           H  
HETATM   51  H   UNL     1       4.251  -1.117   1.437  1.00  0.00           H  
HETATM   52  H   UNL     1       7.734  -4.360   0.810  1.00  0.00           H  
HETATM   53  H   UNL     1       7.553  -4.797  -3.726  1.00  0.00           H  
HETATM   54  H   UNL     1       6.473  -3.628  -4.263  1.00  0.00           H  
HETATM   55  H   UNL     1       3.743  -0.203  -2.220  1.00  0.00           H  
HETATM   56  H   UNL     1       5.588   1.225  -0.033  1.00  0.00           H  
HETATM   57  H   UNL     1       8.116   2.598   1.914  1.00  0.00           H  
HETATM   58  H   UNL     1       9.776  -0.076   2.155  1.00  0.00           H  
HETATM   59  H   UNL     1       4.438   2.735   1.352  1.00  0.00           H  
HETATM   60  H   UNL     1       3.853   2.084   3.598  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.821   2.867   1.426  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.118   1.982  -0.568  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.647   2.052  -2.283  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.536  -0.467  -2.298  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.907   1.228  -2.132  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.619  -0.398  -3.731  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.863   0.106  -0.300  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.083  -0.864  -2.152  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.168  -2.369  -0.957  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.261  -3.772   0.420  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.808  -2.785   4.550  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.953  -0.508   4.040  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.286   0.041   1.736  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.122  -5.376   2.021  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.339  -4.996   3.643  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    1   27                                                      
CONECT    2    1   47                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   48   49                                       
CONECT    6    5    7   25   50                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   19   51                                       
CONECT    9    8   10   18                                            
CONECT   10    9   11   16   16                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   52                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   16                                       
CONECT   15   14   53   54                                            
CONECT   16   10   10   14   17                                       
CONECT   17   16   18   18                                            
CONECT   18    9   17   17   55                                       
CONECT   19    8   20   25   56                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   57                                                 
CONECT   24   21   58                                                 
CONECT   25    6   19   26   59                                       
CONECT   26   25   60                                                 
CONECT   27    1   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   61                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   62   63                                       
CONECT   33   32   34   35   64                                       
CONECT   34   33   39                                                 
CONECT   35   33   36   37   65                                       
CONECT   36   35   66                                                 
CONECT   37   35   38   39   67                                       
CONECT   38   37   68                                                 
CONECT   39   34   37   40   69                                       
CONECT   40   39   41   41   44                                       
CONECT   41   40   40   45   70                                       
CONECT   42   43   45   45   71                                       
CONECT   43   42   44   44   72                                       
CONECT   44   40   43   43   73                                       
CONECT   45   41   42   42   46                                       
CONECT   46   45   74   75                                            
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52   12                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   41                                                      
CONECT   71   42                                                      
CONECT   72   43                                                      
CONECT   73   44                                                      
CONECT   74   46                                                      
CONECT   75   46                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
