COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.126  -5.071   0.984  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.835  -4.140   0.249  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.699  -3.267   0.560  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.786  -3.218   1.558  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.976  -2.221   1.348  1.00  0.00           C  
HETATM    6  N   UNL     1      -8.546  -3.897  -0.863  1.00  0.00           N  
HETATM    7  C   UNL     1      -8.245  -2.897  -1.663  1.00  0.00           C  
HETATM    8  N   UNL     1      -9.006  -2.697  -2.783  1.00  0.00           N  
HETATM    9  N   UNL     1      -7.206  -2.055  -1.421  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.416  -2.224  -0.313  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.332  -1.579   0.198  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.669  -0.408  -0.381  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.331   0.892   0.129  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.259   1.392  -0.836  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.149   1.872   0.302  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.311   3.008  -0.550  1.00  0.00           O  
HETATM   17  P   UNL     1      -4.380   4.517   0.005  1.00  0.00           P  
HETATM   18  S   UNL     1      -2.520   5.034   0.882  1.00  0.00           S  
HETATM   19  O   UNL     1      -5.450   4.621   1.022  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.697   5.523  -1.212  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.301  -0.329   0.075  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.913   1.048  -0.123  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.712   1.396   0.759  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.553   0.712   0.277  1.00  0.00           O  
HETATM   25  P   UNL     1       0.895   0.847   0.968  1.00  0.00           P  
HETATM   26  O   UNL     1       0.790   0.500   2.403  1.00  0.00           O  
HETATM   27  S   UNL     1       1.589   2.840   0.772  1.00  0.00           S  
HETATM   28  O   UNL     1       1.928  -0.155   0.247  1.00  0.00           O  
HETATM   29  C   UNL     1       3.270  -0.347   0.699  1.00  0.00           C  
HETATM   30  C   UNL     1       4.272   0.038  -0.407  1.00  0.00           C  
HETATM   31  C   UNL     1       5.177   1.170   0.082  1.00  0.00           C  
HETATM   32  O   UNL     1       6.023   1.598  -0.987  1.00  0.00           O  
HETATM   33  P   UNL     1       7.108   2.778  -0.829  1.00  0.00           P  
HETATM   34  S   UNL     1       6.109   4.610  -0.453  1.00  0.00           S  
HETATM   35  O   UNL     1       7.966   2.904  -2.185  1.00  0.00           O  
HETATM   36  O   UNL     1       8.012   2.468   0.301  1.00  0.00           O  
HETATM   37  O   UNL     1       5.061  -1.130  -0.694  1.00  0.00           O  
HETATM   38  C   UNL     1       3.547  -1.848   0.956  1.00  0.00           C  
HETATM   39  O   UNL     1       2.325  -2.568   1.137  1.00  0.00           O  
HETATM   40  C   UNL     1       4.253  -2.277  -0.355  1.00  0.00           C  
HETATM   41  N   UNL     1       5.097  -3.452  -0.125  1.00  0.00           N  
HETATM   42  C   UNL     1       4.852  -4.591  -0.798  1.00  0.00           C  
HETATM   43  O   UNL     1       3.931  -4.633  -1.590  1.00  0.00           O  
HETATM   44  C   UNL     1       6.132  -3.379   0.768  1.00  0.00           C  
HETATM   45  C   UNL     1       6.910  -4.462   0.980  1.00  0.00           C  
HETATM   46  C   UNL     1       6.637  -5.656   0.270  1.00  0.00           C  
HETATM   47  N   UNL     1       5.612  -5.685  -0.606  1.00  0.00           N  
HETATM   48  O   UNL     1       7.326  -6.646   0.444  1.00  0.00           O  
HETATM   49  H   UNL     1      -4.150  -1.944   1.986  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.752  -3.287  -2.974  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.800  -1.965  -3.386  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.020  -1.330  -2.038  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.704  -0.452  -1.469  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.829   0.718   1.083  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.021   0.816  -0.984  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.062   2.185   1.342  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.720   6.298   1.294  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.035   5.508  -1.917  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.679   1.229  -1.172  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.538   2.471   0.729  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.914   1.089   1.785  1.00  0.00           H  
HETATM   62  H   UNL     1       1.635   3.015  -0.561  1.00  0.00           H  
HETATM   63  H   UNL     1       3.457   0.236   1.602  1.00  0.00           H  
HETATM   64  H   UNL     1       3.734   0.350  -1.302  1.00  0.00           H  
HETATM   65  H   UNL     1       4.564   2.007   0.417  1.00  0.00           H  
HETATM   66  H   UNL     1       5.790   0.814   0.910  1.00  0.00           H  
HETATM   67  H   UNL     1       5.335   4.762  -1.543  1.00  0.00           H  
HETATM   68  H   UNL     1       8.641   3.596  -2.161  1.00  0.00           H  
HETATM   69  H   UNL     1       4.205  -1.981   1.815  1.00  0.00           H  
HETATM   70  H   UNL     1       2.446  -3.513   1.301  1.00  0.00           H  
HETATM   71  H   UNL     1       3.521  -2.477  -1.137  1.00  0.00           H  
HETATM   72  H   UNL     1       6.325  -2.460   1.301  1.00  0.00           H  
HETATM   73  H   UNL     1       7.730  -4.418   1.682  1.00  0.00           H  
HETATM   74  H   UNL     1       5.422  -6.498  -1.100  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2   10   10    4                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4   11   49                                       
CONECT    6    7    7    2                                            
CONECT    7    8    6    6    9                                       
CONECT    8    7   50   51                                            
CONECT    9    7   10   52                                            
CONECT   10    9    3    3   11                                       
CONECT   11   10   12    5                                            
CONECT   12   13   11   21   53                                       
CONECT   13   14   15   12   54                                       
CONECT   14   13   55                                                 
CONECT   15   13   16   22   56                                       
CONECT   16   15   17                                                 
CONECT   17   19   19   16   20                                       
CONECT   17   18                                                      
CONECT   18   17   57                                                 
CONECT   19   17   17                                                 
CONECT   20   17   58                                                 
CONECT   21   12   22                                                 
CONECT   22   15   23   21   59                                       
CONECT   23   24   22   60   61                                       
CONECT   24   25   23                                                 
CONECT   25   27   28   26   26                                       
CONECT   25   24                                                      
CONECT   26   25   25                                                 
CONECT   27   25   62                                                 
CONECT   28   29   25                                                 
CONECT   29   30   38   28   63                                       
CONECT   30   31   29   37   64                                       
CONECT   31   32   30   65   66                                       
CONECT   32   33   31                                                 
CONECT   33   34   36   36   35                                       
CONECT   33   32                                                      
CONECT   34   33   67                                                 
CONECT   35   33   68                                                 
CONECT   36   33   33                                                 
CONECT   37   30   40                                                 
CONECT   38   29   39   40   69                                       
CONECT   39   38   70                                                 
CONECT   40   38   37   41   71                                       
CONECT   41   44   40   42                                            
CONECT   42   41   47   43   43                                       
CONECT   43   42   42                                                 
CONECT   44   45   45   41   72                                       
CONECT   45   44   44   46   73                                       
CONECT   46   45   48   48   47                                       
CONECT   47   46   42   74                                            
CONECT   48   46   46                                                 
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   44                                                      
CONECT   73   45                                                      
CONECT   74   47                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
