COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.862   0.811   0.331  1.00  0.00           N  
HETATM    2  C   UNL     1       2.943   1.652  -0.442  1.00  0.00           C  
HETATM    3  C   UNL     1       1.653   1.820   0.319  1.00  0.00           C  
HETATM    4  O   UNL     1       1.350   1.046   1.202  1.00  0.00           O  
HETATM    5  C   UNL     1       2.657   0.988  -1.790  1.00  0.00           C  
HETATM    6  C   UNL     1       3.950   0.785  -2.536  1.00  0.00           C  
HETATM    7  O   UNL     1       4.995   1.136  -2.039  1.00  0.00           O  
HETATM    8  O   UNL     1       3.943   0.215  -3.751  1.00  0.00           O  
HETATM    9  N   UNL     1       0.832   2.864  -0.007  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.422   2.948   0.776  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.505   2.218   0.024  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.342   1.905  -1.136  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.817   4.415   0.959  1.00  0.00           C  
HETATM   14  C   UNL     1       0.238   5.125   1.810  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.090   6.617   1.889  1.00  0.00           C  
HETATM   16  C   UNL     1       0.242   4.529   3.219  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.667   1.913   0.664  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.682   1.187  -0.126  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.613  -0.277   0.223  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.159  -0.637   1.289  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.399   1.371  -1.619  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.651   2.829  -2.009  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.863   3.750  -1.075  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.196   3.056  -3.452  1.00  0.00           C  
HETATM   25  H   UNL     1       4.541   1.222   0.888  1.00  0.00           H  
HETATM   26  H   UNL     1       3.398   2.629  -0.607  1.00  0.00           H  
HETATM   27  H   UNL     1       2.177   0.023  -1.625  1.00  0.00           H  
HETATM   28  H   UNL     1       1.995   1.626  -2.376  1.00  0.00           H  
HETATM   29  H   UNL     1       1.056   3.503  -0.702  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.277   2.484   1.752  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.882   4.898  -0.016  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.785   4.472   1.458  1.00  0.00           H  
HETATM   33  H   UNL     1       1.220   4.992   1.357  1.00  0.00           H  
HETATM   34  H   UNL     1       0.661   7.123   2.495  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.093   7.042   0.885  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.072   6.750   2.342  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.740   4.661   3.673  1.00  0.00           H  
HETATM   38  H   UNL     1       0.476   3.465   3.163  1.00  0.00           H  
HETATM   39  H   UNL     1       0.993   5.034   3.826  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.821   2.160   1.589  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.674   1.572   0.110  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.360   1.114  -1.826  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.056   0.722  -2.196  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.715   3.049  -1.924  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.174   4.783  -1.236  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.057   3.470  -0.040  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.798   3.655  -1.284  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.757   2.400  -4.117  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.375   4.095  -3.730  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.132   2.836  -3.537  1.00  0.00           H  
HETATM   51  N   UNL     1       4.534  -1.135   2.494  1.00  0.00           N  
HETATM   52  C   UNL     1       4.711  -1.394   1.059  1.00  0.00           C  
HETATM   53  C   UNL     1       6.150  -1.067   0.656  1.00  0.00           C  
HETATM   54  C   UNL     1       4.422  -2.868   0.769  1.00  0.00           C  
HETATM   55  C   UNL     1       2.913  -3.114   0.826  1.00  0.00           C  
HETATM   56  C   UNL     1       2.618  -4.570   0.461  1.00  0.00           C  
HETATM   57  C   UNL     1       3.759  -0.531   0.271  1.00  0.00           C  
HETATM   58  O   UNL     1       2.901  -1.045  -0.415  1.00  0.00           O  
HETATM   59  C   UNL     1       1.415  -4.627  -0.444  1.00  0.00           C  
HETATM   60  N   UNL     1      -4.072  -1.192  -0.682  1.00  0.00           N  
HETATM   61  C   UNL     1      -3.968  -2.607  -0.256  1.00  0.00           C  
HETATM   62  C   UNL     1      -5.269  -3.341  -0.588  1.00  0.00           C  
HETATM   63  C   UNL     1      -2.805  -3.259  -1.007  1.00  0.00           C  
HETATM   64  C   UNL     1      -2.180  -4.348  -0.132  1.00  0.00           C  
HETATM   65  C   UNL     1      -0.971  -4.949  -0.851  1.00  0.00           C  
HETATM   66  C   UNL     1      -3.716  -2.671   1.228  1.00  0.00           C  
HETATM   67  O   UNL     1      -2.585  -2.621   1.652  1.00  0.00           O  
HETATM   68  C   UNL     1       0.233  -4.892   0.054  1.00  0.00           C  
HETATM   69  H   UNL     1       5.115  -1.747   3.047  1.00  0.00           H  
HETATM   70  H   UNL     1       6.838  -1.691   1.226  1.00  0.00           H  
HETATM   71  H   UNL     1       6.281  -1.260  -0.409  1.00  0.00           H  
HETATM   72  H   UNL     1       6.355  -0.017   0.863  1.00  0.00           H  
HETATM   73  H   UNL     1       4.794  -3.122  -0.224  1.00  0.00           H  
HETATM   74  H   UNL     1       4.920  -3.490   1.513  1.00  0.00           H  
HETATM   75  H   UNL     1       2.551  -2.911   1.834  1.00  0.00           H  
HETATM   76  H   UNL     1       2.411  -2.453   0.120  1.00  0.00           H  
HETATM   77  H   UNL     1       3.480  -4.997  -0.052  1.00  0.00           H  
HETATM   78  H   UNL     1       2.418  -5.139   1.369  1.00  0.00           H  
HETATM   79  H   UNL     1       1.527  -4.448  -1.503  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.438  -0.934  -1.542  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.189  -4.381  -0.274  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.098  -2.865  -0.065  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.445  -3.299  -1.663  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.172  -3.703  -1.932  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.053  -2.504  -1.239  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.860  -3.914   0.816  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.916  -5.129   0.057  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.181  -5.987  -1.111  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.769  -4.381  -1.760  1.00  0.00           H  
HETATM   90  H   UNL     1       0.120  -5.071   1.113  1.00  0.00           H  
HETATM   91  H   UNL     1       4.797   0.106  -4.190  1.00  0.00           H  
HETATM   92  H   UNL     1       4.719  -0.167   2.712  1.00  0.00           H  
HETATM   93  O   UNL     1      -4.747  -2.784   2.080  1.00  0.00           O  
HETATM   94  H   UNL     1      -4.536  -2.821   3.023  1.00  0.00           H  
CONECT    1   25   57    2                                            
CONECT    2    1    5   26    3                                       
CONECT    3    2    9    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   27   28                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   91                                                 
CONECT    9    3   29   10                                            
CONECT   10    9   13   30   11                                       
CONECT   11   10   17   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   10   31   14   32                                       
CONECT   14   13   16   33   15                                       
CONECT   15   14   34   35   36                                       
CONECT   16   14   37   39   38                                       
CONECT   17   11   40   18                                            
CONECT   18   17   21   19   41                                       
CONECT   19   18   60   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   18   42   22   43                                       
CONECT   22   21   23   24   44                                       
CONECT   23   22   47   46   45                                       
CONECT   24   22   49   50   48                                       
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   69   52   92                                            
CONECT   52   51   54   53   57                                       
CONECT   53   52   72   70   71                                       
CONECT   54   52   74   73   55                                       
CONECT   55   54   76   56   75                                       
CONECT   56   55   77   78   59                                       
CONECT   57    1   52   58   58                                       
CONECT   58   57   57                                                 
CONECT   59   56   68   68   79                                       
CONECT   60   19   80   61                                            
CONECT   61   60   63   62   66                                       
CONECT   62   61   82   83   81                                       
CONECT   63   61   64   85   84                                       
CONECT   64   63   65   87   86                                       
CONECT   65   64   68   89   88                                       
CONECT   66   61   67   67   93                                       
CONECT   67   66   66                                                 
CONECT   68   59   59   65   90                                       
CONECT   69   51                                                      
CONECT   70   53                                                      
CONECT   71   53                                                      
CONECT   72   53                                                      
CONECT   73   54                                                      
CONECT   74   54                                                      
CONECT   75   55                                                      
CONECT   76   55                                                      
CONECT   77   56                                                      
CONECT   78   56                                                      
CONECT   79   59                                                      
CONECT   80   60                                                      
CONECT   81   62                                                      
CONECT   82   62                                                      
CONECT   83   62                                                      
CONECT   84   63                                                      
CONECT   85   63                                                      
CONECT   86   64                                                      
CONECT   87   64                                                      
CONECT   88   65                                                      
CONECT   89   65                                                      
CONECT   90   68                                                      
CONECT   91    8                                                      
CONECT   92   51                                                      
CONECT   93   66   94                                                 
CONECT   94   93                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
