COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       5.432  -0.266   0.186  1.00  0.00           P  
HETATM    2  O   UNL     1       5.366   0.036   1.633  1.00  0.00           O  
HETATM    3  O   UNL     1       5.460  -1.862  -0.028  1.00  0.00           O  
HETATM    4  O   UNL     1       9.030  -0.953  -0.341  1.00  0.00           O  
HETATM    5  P   UNL     1       8.307   0.437   0.030  1.00  0.00           P  
HETATM    6  O   UNL     1       8.372   0.653   1.492  1.00  0.00           O  
HETATM    7  O   UNL     1       9.053   1.648  -0.725  1.00  0.00           O  
HETATM    8  O   UNL     1       6.767   0.382  -0.437  1.00  0.00           O  
HETATM    9  O   UNL     1       4.141   0.352  -0.550  1.00  0.00           O  
HETATM   10  C   UNL     1       2.801   0.055  -0.152  1.00  0.00           C  
HETATM   11  C   UNL     1       1.821   0.804  -1.058  1.00  0.00           C  
HETATM   12  C   UNL     1       0.408   0.491  -0.638  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.315   1.172   0.256  1.00  0.00           C  
HETATM   14  C   UNL     1       0.214   2.383   0.981  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.584  -0.833  -1.243  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.870  -0.344  -0.229  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.529   0.697   0.452  1.00  0.00           N1+
HETATM   18  C   UNL     1      -2.452   1.327   1.399  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.315   2.326   0.672  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.770   3.182  -0.264  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.686   2.405   0.924  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.281   1.564   1.850  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.412   3.300   0.260  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.849   4.102  -0.621  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.559   4.048  -0.885  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.705   5.103  -1.353  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.048  -3.115  -1.410  1.00  0.00           O  
HETATM   28  P   UNL     1      -3.306  -2.336  -1.412  1.00  0.00           P  
HETATM   29  O   UNL     1      -4.543  -3.312  -1.083  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.521  -1.667  -2.860  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.531  -2.422  -4.073  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.211  -1.027  -0.146  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.248  -0.070  -0.372  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.380  -1.638   1.221  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.619  -1.625   1.836  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.774  -2.185   3.090  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.691  -2.758   3.730  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.452  -2.771   3.115  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.298  -2.216   1.859  1.00  0.00           C  
HETATM   40  H   UNL     1       5.503  -2.133  -0.955  1.00  0.00           H  
HETATM   41  H   UNL     1       9.026  -1.159  -1.285  1.00  0.00           H  
HETATM   42  H   UNL     1       9.987   1.741  -0.491  1.00  0.00           H  
HETATM   43  H   UNL     1       2.626  -1.018  -0.236  1.00  0.00           H  
HETATM   44  H   UNL     1       2.651   0.368   0.882  1.00  0.00           H  
HETATM   45  H   UNL     1       1.996   1.876  -0.974  1.00  0.00           H  
HETATM   46  H   UNL     1       1.971   0.491  -2.091  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.016   3.279   0.405  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.254   2.451   1.963  1.00  0.00           H  
HETATM   49  H   UNL     1       1.294   2.293   1.098  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.084   0.564   1.853  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.883   1.837   2.177  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.714   3.147  -0.488  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.734   0.972   2.389  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.245   1.567   1.960  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.737   6.035  -0.789  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.283   5.289  -2.340  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.716   4.708  -1.458  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.401  -2.868  -1.067  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.333  -3.159  -4.035  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.692  -1.752  -4.918  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.574  -2.932  -4.191  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.133  -0.456  -0.432  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.465  -1.177   1.336  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.741  -2.175   3.570  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.812  -3.195   4.710  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.606  -3.218   3.615  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.332  -2.230   1.377  1.00  0.00           H  
CONECT    1    3    8    2    2                                       
CONECT    1    9                                                      
CONECT    2    1    1                                                 
CONECT    3    1   40                                                 
CONECT    4   41    5                                                 
CONECT    5    4    8    7    6                                       
CONECT    5    6                                                      
CONECT    6    5    5                                                 
CONECT    7    5   42                                                 
CONECT    8    1    5                                                 
CONECT    9    1   10                                                 
CONECT   10    9   43   44   11                                       
CONECT   11   10   12   45   46                                       
CONECT   12   11   15   13   13                                       
CONECT   13   12   12   17   14                                       
CONECT   14   13   47   48   49                                       
CONECT   15   12   16                                                 
CONECT   16   15   32   17   17                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   50   51   19                                       
CONECT   19   18   21   20   20                                       
CONECT   20   19   19   25   52                                       
CONECT   21   19   22   23   23                                       
CONECT   22   21   53   54                                            
CONECT   23   21   21   24                                            
CONECT   24   23   26   25   25                                       
CONECT   25   20   24   24                                            
CONECT   26   24   55   56   57                                       
CONECT   27   28   28                                                 
CONECT   28   27   27   32   30                                       
CONECT   28   29                                                      
CONECT   29   28   58                                                 
CONECT   30   28   31                                                 
CONECT   31   30   59   60   61                                       
CONECT   32   16   28   33   34                                       
CONECT   33   32   62                                                 
CONECT   34   32   35   39   39                                       
CONECT   35   34   36   36   63                                       
CONECT   36   35   35   64   37                                       
CONECT   37   36   65   38   38                                       
CONECT   38   37   37   66   39                                       
CONECT   39   34   34   38   67                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
