COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.781  -0.821  -0.277  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.763   0.160  -1.213  1.00  0.00           C  
HETATM    3  C   UNL     1       0.318   0.079  -0.133  1.00  0.00           C  
HETATM    4  C   UNL     1       1.699   0.082  -0.792  1.00  0.00           C  
HETATM    5  C   UNL     1       2.780   0.001   0.287  1.00  0.00           C  
HETATM    6  C   UNL     1       4.160   0.004  -0.372  1.00  0.00           C  
HETATM    7  O   UNL     1       7.044   1.185  -0.613  1.00  0.00           O  
HETATM    8  P   UNL     1       6.745   0.061   0.303  1.00  0.00           P  
HETATM    9  O   UNL     1       7.157  -1.328  -0.400  1.00  0.00           O  
HETATM   10  O   UNL     1       7.582   0.242   1.666  1.00  0.00           O  
HETATM   11  O   UNL     1       5.170   0.046   0.638  1.00  0.00           O  
HETATM   12  O   UNL     1       2.613  -1.203   1.038  1.00  0.00           O  
HETATM   13  O   UNL     1       1.865   1.286  -1.544  1.00  0.00           O  
HETATM   14  O   UNL     1       0.152  -1.125   0.618  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.079   0.277  -0.579  1.00  0.00           N1+
HETATM   16  C   UNL     1      -2.286  -2.106  -0.547  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.051  -3.213  -0.209  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.534  -4.563  -0.491  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.311  -3.068   0.398  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.106  -4.299   0.748  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.826  -1.844   0.677  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.095  -0.685   0.356  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.570   0.533   0.622  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.579   1.464  -0.303  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.871   2.616  -0.605  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.850   1.592   0.311  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.350   2.960   0.593  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.433   3.131   1.118  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.572   4.008   0.252  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.375   3.829  -0.327  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.716   4.810  -0.612  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.495  -4.699  -1.101  1.00  0.00           O  
HETATM   33  H   UNL     1      -0.584   1.032  -1.842  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.734  -0.742  -1.825  1.00  0.00           H  
HETATM   35  H   UNL     1       0.231   0.937   0.533  1.00  0.00           H  
HETATM   36  H   UNL     1       1.785  -0.777  -1.458  1.00  0.00           H  
HETATM   37  H   UNL     1       2.693   0.860   0.953  1.00  0.00           H  
HETATM   38  H   UNL     1       4.280  -0.900  -0.969  1.00  0.00           H  
HETATM   39  H   UNL     1       4.253   0.879  -1.016  1.00  0.00           H  
HETATM   40  H   UNL     1       6.989  -2.109   0.145  1.00  0.00           H  
HETATM   41  H   UNL     1       8.541   0.260   1.540  1.00  0.00           H  
HETATM   42  H   UNL     1       2.678  -2.010   0.509  1.00  0.00           H  
HETATM   43  H   UNL     1       1.800   2.092  -1.014  1.00  0.00           H  
HETATM   44  H   UNL     1       0.217  -1.932   0.088  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.320  -2.232  -1.014  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.081  -5.431  -0.155  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.784  -4.676   1.719  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.166  -4.048   0.789  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.943  -5.065  -0.010  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.797  -1.760   1.144  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.999   2.545  -1.025  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.884   4.910   0.429  1.00  0.00           H  
CONECT    1   15   16   16   22                                       
CONECT    2    3   15   33   34                                       
CONECT    3    4    2   14   35                                       
CONECT    4    5   13    3   36                                       
CONECT    5    6   12    4   37                                       
CONECT    6    5   11   38   39                                       
CONECT    7    8    8                                                 
CONECT    8    7    7   11    9                                       
CONECT    8   10                                                      
CONECT    9    8   40                                                 
CONECT   10    8   41                                                 
CONECT   11    6    8                                                 
CONECT   12    5   42                                                 
CONECT   13    4   43                                                 
CONECT   14    3   44                                                 
CONECT   15    2   24   24    1                                       
CONECT   16    1    1   17   45                                       
CONECT   17   16   18   19   19                                       
CONECT   18   32   32   17   46                                       
CONECT   19   17   17   21   20                                       
CONECT   20   19   47   48   49                                       
CONECT   21   22   22   19   50                                       
CONECT   22    1   23   21   21                                       
CONECT   23   26   26   22                                            
CONECT   24   25   15   15   26                                       
CONECT   25   30   24   51                                            
CONECT   26   24   27   23   23                                       
CONECT   27   29   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   52                                            
CONECT   30   31   31   25   29                                       
CONECT   31   30   30                                                 
CONECT   32   18   18                                                 
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   25                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
