COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.989  -0.004   8.277  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.129  -0.846   7.669  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.884  -0.438   7.360  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.470   0.806   7.658  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.312   1.691   8.275  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.568   1.310   8.592  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.117  -0.371   8.553  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.120  -1.208   6.811  1.00  0.00           O  
HETATM    9  C   UNL     1       0.932   0.255   7.937  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.108   1.220   7.314  1.00  0.00           C  
HETATM   11  O   UNL     1       0.119   1.089   5.894  1.00  0.00           O  
HETATM   12  C   UNL     1       1.541   1.014   5.702  1.00  0.00           C  
HETATM   13  C   UNL     1       2.152   0.441   6.996  1.00  0.00           C  
HETATM   14  C   UNL     1       1.859   0.091   4.524  1.00  0.00           C  
HETATM   15  O   UNL     1       3.087   1.359   7.565  1.00  0.00           O  
HETATM   16  O   UNL     1       1.255   0.647   9.272  1.00  0.00           O  
HETATM   17  O   UNL     1       1.283   0.626   3.331  1.00  0.00           O  
HETATM   18  P   UNL     1       1.655  -0.389   2.138  1.00  0.00           P  
HETATM   19  O   UNL     1       1.095  -1.726   2.437  1.00  0.00           O  
HETATM   20  O   UNL     1       3.256  -0.495   2.003  1.00  0.00           O  
HETATM   21  O   UNL     1       1.034   0.154   0.756  1.00  0.00           O  
HETATM   22  P   UNL     1       1.442  -0.903  -0.385  1.00  0.00           P  
HETATM   23  O   UNL     1       0.851  -0.419  -1.802  1.00  0.00           O  
HETATM   24  O   UNL     1       0.886  -2.233  -0.047  1.00  0.00           O  
HETATM   25  O   UNL     1       3.046  -1.001  -0.479  1.00  0.00           O  
HETATM   26  C   UNL     1       1.244  -1.394  -2.770  1.00  0.00           C  
HETATM   27  C   UNL     1       1.407  -0.720  -4.134  1.00  0.00           C  
HETATM   28  C   UNL     1       0.079  -0.069  -4.533  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.028  -1.125  -4.453  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.007  -1.768  -3.064  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.131  -2.802  -2.967  1.00  0.00           C  
HETATM   32  C   UNL     1       3.733  -0.018  -4.316  1.00  0.00           C  
HETATM   33  N   UNL     1       2.451   0.303  -4.053  1.00  0.00           N  
HETATM   34  O   UNL     1       0.166   0.433  -5.868  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.298  -0.508  -4.674  1.00  0.00           O  
HETATM   36  O   UNL     1       0.247  -2.411  -2.849  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.118  -3.399  -1.668  1.00  0.00           O  
HETATM   38  O   UNL     1       4.023  -1.156  -4.619  1.00  0.00           O  
HETATM   39  C   UNL     1       4.807   1.036  -4.233  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.621   1.624  -5.913  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.513   2.254  -7.303  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.986   1.303  -5.641  1.00  0.00           O  
HETATM   43  P   UNL     1      -2.504   0.394  -6.865  1.00  0.00           P  
HETATM   44  O   UNL     1      -3.852  -0.372  -6.431  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.806   1.332  -8.139  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.464  -0.597  -7.217  1.00  0.00           O  
HETATM   47  C   UNL     1      -0.118   2.599  -4.880  1.00  0.00           C  
HETATM   48  O   UNL     1       0.899   2.364  -4.273  1.00  0.00           O  
HETATM   49  O   UNL     1      -0.801   3.728  -4.633  1.00  0.00           O  
HETATM   50  H   UNL     1      -3.410  -1.748   7.450  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.973   2.690   8.507  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.242   1.998   9.079  1.00  0.00           H  
HETATM   53  H   UNL     1       0.573  -0.773   7.911  1.00  0.00           H  
HETATM   54  H   UNL     1       0.074   2.244   7.639  1.00  0.00           H  
HETATM   55  H   UNL     1       1.943   2.009   5.512  1.00  0.00           H  
HETATM   56  H   UNL     1       2.631  -0.517   6.799  1.00  0.00           H  
HETATM   57  H   UNL     1       1.444  -0.898   4.715  1.00  0.00           H  
HETATM   58  H   UNL     1       2.940   0.014   4.403  1.00  0.00           H  
HETATM   59  H   UNL     1       3.387   0.972   8.399  1.00  0.00           H  
HETATM   60  H   UNL     1       1.904   0.010   9.601  1.00  0.00           H  
HETATM   61  H   UNL     1       3.579   0.394   1.808  1.00  0.00           H  
HETATM   62  H   UNL     1       3.368  -0.116  -0.700  1.00  0.00           H  
HETATM   63  H   UNL     1       2.193  -1.840  -2.470  1.00  0.00           H  
HETATM   64  H   UNL     1       1.686  -1.467  -4.878  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.145   0.748  -3.849  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.857  -1.889  -5.211  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.155  -0.999  -2.307  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.091  -2.312  -3.131  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.982  -3.573  -3.723  1.00  0.00           H  
HETATM   70  H   UNL     1       2.220   1.214  -3.811  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.964  -1.206  -4.610  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.839  -4.042  -1.649  1.00  0.00           H  
HETATM   73  H   UNL     1       5.772   0.591  -4.477  1.00  0.00           H  
HETATM   74  H   UNL     1       4.586   1.836  -4.939  1.00  0.00           H  
HETATM   75  H   UNL     1       4.839   1.442  -3.222  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.709   1.497  -8.062  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.244   3.058  -7.396  1.00  0.00           H  
HETATM   78  H   UNL     1       0.489   2.658  -7.443  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.128  -0.903  -7.191  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.487   1.962  -7.867  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.479   4.353  -3.970  1.00  0.00           H  
CONECT    1    2    6    7    7                                       
CONECT    2    1    3   50                                            
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   10                                            
CONECT    5    4    6    6   51                                       
CONECT    6    1    5    5   52                                       
CONECT    7    1    1                                                 
CONECT    8    3    3                                                 
CONECT    9   10   13   16   53                                       
CONECT   10    4    9   11   54                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   14   55                                       
CONECT   13    9   12   15   56                                       
CONECT   14   12   17   57   58                                       
CONECT   15   13   59                                                 
CONECT   16    9   60                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   61                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24   24                                       
CONECT   22   25                                                      
CONECT   23   22   26                                                 
CONECT   24   22   22                                                 
CONECT   25   22   62                                                 
CONECT   26   23   27   36   63                                       
CONECT   27   26   28   33   64                                       
CONECT   28   27   29   34   65                                       
CONECT   29   28   30   35   66                                       
CONECT   30   29   31   36   67                                       
CONECT   31   30   37   68   69                                       
CONECT   32   33   38   38   39                                       
CONECT   33   27   32   70                                            
CONECT   34   28   40                                                 
CONECT   35   29   71                                                 
CONECT   36   26   30                                                 
CONECT   37   31   72                                                 
CONECT   38   32   32                                                 
CONECT   39   32   73   74   75                                       
CONECT   40   34   41   42   47                                       
CONECT   41   40   76   77   78                                       
CONECT   42   40   43                                                 
CONECT   43   42   44   45   46                                       
CONECT   43   46                                                      
CONECT   44   43   79                                                 
CONECT   45   43   80                                                 
CONECT   46   43   43                                                 
CONECT   47   40   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   81                                                 
CONECT   50    2                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   20                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   49                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
