COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.658  -1.051   1.385  1.00  0.00           O  
HETATM    2  P   UNL     1      -7.608  -0.721  -0.057  1.00  0.00           P  
HETATM    3  O   UNL     1      -8.187  -1.957  -0.911  1.00  0.00           O  
HETATM    4  O   UNL     1      -8.500   0.590  -0.339  1.00  0.00           O  
HETATM    5  O   UNL     1      -6.084  -0.436  -0.491  1.00  0.00           O  
HETATM    6  P   UNL     1      -4.848   0.328   0.202  1.00  0.00           P  
HETATM    7  O   UNL     1      -4.757  -0.070   1.625  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.078   1.919   0.104  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.482  -0.064  -0.554  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.195   0.370  -0.110  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.120  -0.179  -1.050  1.00  0.00           C  
HETATM   12  C   UNL     1       0.238   0.278  -0.583  1.00  0.00           C  
HETATM   13  S   UNL     1       1.058   1.759  -1.072  1.00  0.00           S  
HETATM   14  C   UNL     1       1.030  -0.365   0.280  1.00  0.00           C  
HETATM   15  C   UNL     1       0.648  -1.677   0.916  1.00  0.00           C  
HETATM   16  N   UNL     1       2.172   0.243   0.530  1.00  0.00           N1+
HETATM   17  C   UNL     1       2.387   1.363  -0.072  1.00  0.00           C  
HETATM   18  C   UNL     1       3.628   2.203   0.085  1.00  0.00           C  
HETATM   19  O   UNL     1       3.884   2.420   1.474  1.00  0.00           O  
HETATM   20  C   UNL     1       3.424   3.550  -0.612  1.00  0.00           C  
HETATM   21  C   UNL     1       4.801   1.488  -0.536  1.00  0.00           C  
HETATM   22  O   UNL     1       6.039   1.687  -0.056  1.00  0.00           O  
HETATM   23  O   UNL     1       4.627   0.737  -1.466  1.00  0.00           O  
HETATM   24  C   UNL     1       3.155  -0.328   1.455  1.00  0.00           C  
HETATM   25  C   UNL     1       4.194  -1.092   0.675  1.00  0.00           C  
HETATM   26  C   UNL     1       3.887  -1.658  -0.547  1.00  0.00           C  
HETATM   27  N   UNL     1       4.826  -2.323  -1.205  1.00  0.00           N  
HETATM   28  C   UNL     1       6.041  -2.450  -0.711  1.00  0.00           C  
HETATM   29  C   UNL     1       7.075  -3.215  -1.497  1.00  0.00           C  
HETATM   30  N   UNL     1       6.378  -1.926   0.450  1.00  0.00           N  
HETATM   31  C   UNL     1       5.492  -1.240   1.167  1.00  0.00           C  
HETATM   32  N   UNL     1       5.851  -0.686   2.385  1.00  0.00           N  
HETATM   33  H   UNL     1      -9.103  -2.185  -0.701  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.514   0.865  -1.266  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.147   2.251  -0.801  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.158   1.459  -0.113  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.016   0.002   0.900  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.157  -1.269  -1.048  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.299   0.188  -2.061  1.00  0.00           H  
HETATM   40  H   UNL     1       0.995  -2.498   0.289  1.00  0.00           H  
HETATM   41  H   UNL     1       1.109  -1.751   1.901  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.436  -1.729   1.017  1.00  0.00           H  
HETATM   43  H   UNL     1       4.399   1.717   1.894  1.00  0.00           H  
HETATM   44  H   UNL     1       2.576   4.067  -0.163  1.00  0.00           H  
HETATM   45  H   UNL     1       4.322   4.157  -0.498  1.00  0.00           H  
HETATM   46  H   UNL     1       3.230   3.385  -1.672  1.00  0.00           H  
HETATM   47  H   UNL     1       6.760   1.212  -0.492  1.00  0.00           H  
HETATM   48  H   UNL     1       3.637   0.474   2.013  1.00  0.00           H  
HETATM   49  H   UNL     1       2.653  -1.003   2.148  1.00  0.00           H  
HETATM   50  H   UNL     1       2.895  -1.561  -0.961  1.00  0.00           H  
HETATM   51  H   UNL     1       7.607  -2.533  -2.159  1.00  0.00           H  
HETATM   52  H   UNL     1       7.782  -3.680  -0.810  1.00  0.00           H  
HETATM   53  H   UNL     1       6.583  -3.987  -2.089  1.00  0.00           H  
HETATM   54  H   UNL     1       5.167  -0.359   2.989  1.00  0.00           H  
HETATM   55  H   UNL     1       6.787  -0.625   2.633  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    2    5                                                      
CONECT    3    2   33                                                 
CONECT    4    2   34                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   35                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   38   39                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   17                                                 
CONECT   14   12   12   15   16                                       
CONECT   15   14   40   41   42                                       
CONECT   16   14   17   17   24                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   19   20   21                                       
CONECT   19   18   43                                                 
CONECT   20   18   44   45   46                                       
CONECT   21   18   22   23   23                                       
CONECT   22   21   47                                                 
CONECT   23   21   21                                                 
CONECT   24   16   25   48   49                                       
CONECT   25   24   26   31   31                                       
CONECT   26   25   27   27   50                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   30   30                                       
CONECT   29   28   51   52   53                                       
CONECT   30   28   28   31                                            
CONECT   31   25   25   30   32                                       
CONECT   32   31   54   55                                            
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
