COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.836  -2.165  -2.936  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.886  -1.414  -2.418  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.581  -1.771  -1.117  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.334  -2.807  -0.697  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.238  -3.156  -1.863  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.299  -3.344   0.390  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.564  -1.107  -0.299  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.185  -1.320  -0.927  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.865   0.391  -0.227  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.187   0.610   0.513  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.476   2.045   0.582  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.175   2.723  -0.344  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.271   4.182   0.042  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.177   4.362   1.120  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.044   2.925   1.674  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.108  -0.766   0.009  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.658   2.236  -1.344  1.00  0.00           O  
HETATM   18  C   UNL     1       1.262  -0.888  -0.663  1.00  0.00           C  
HETATM   19  C   UNL     1       2.322  -0.222   0.217  1.00  0.00           C  
HETATM   20  N   UNL     1       2.056   1.216   0.299  1.00  0.00           N  
HETATM   21  C   UNL     1       2.026   2.043  -0.761  1.00  0.00           C  
HETATM   22  C   UNL     1       1.734   3.457  -0.309  1.00  0.00           C  
HETATM   23  C   UNL     1       2.005   3.432   1.213  1.00  0.00           C  
HETATM   24  C   UNL     1       1.783   1.939   1.547  1.00  0.00           C  
HETATM   25  O   UNL     1       2.207   1.705  -1.911  1.00  0.00           O  
HETATM   26  C   UNL     1       3.707  -0.451  -0.391  1.00  0.00           C  
HETATM   27  C   UNL     1       4.776   0.105   0.551  1.00  0.00           C  
HETATM   28  N   UNL     1       6.102  -0.114  -0.032  1.00  0.00           N  
HETATM   29  C   UNL     1       6.727   0.756  -0.844  1.00  0.00           C  
HETATM   30  C   UNL     1       8.071   0.202  -1.264  1.00  0.00           C  
HETATM   31  C   UNL     1       7.984  -1.304  -0.922  1.00  0.00           C  
HETATM   32  C   UNL     1       6.922  -1.309   0.201  1.00  0.00           C  
HETATM   33  O   UNL     1       6.279   1.828  -1.189  1.00  0.00           O  
HETATM   34  C   UNL     1       0.014  -3.309   2.780  1.00  0.00           C  
HETATM   35  C   UNL     1       0.090  -2.856   1.338  1.00  0.00           C  
HETATM   36  O   UNL     1       0.298  -3.585   0.391  1.00  0.00           O  
HETATM   37  N   UNL     1      -0.108  -1.529   1.259  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.323  -0.942   2.587  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.669  -2.131   3.512  1.00  0.00           C  
HETATM   40  H   UNL     1      -5.250  -2.087  -3.930  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.401  -0.609  -2.949  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.285  -3.028  -1.588  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.051  -4.175  -2.201  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.574  -1.529   0.707  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.017  -2.386  -1.083  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.137  -0.800  -1.883  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.062   0.898   0.307  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.943   0.795  -1.236  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.990   0.103  -0.021  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.109   0.206   1.523  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.067   4.819  -0.818  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.255   4.403   0.457  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.242   4.701   0.674  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.507   5.050   1.899  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.689   2.791   2.543  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.007   2.718   1.938  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.316   0.282   0.222  1.00  0.00           H  
HETATM   58  H   UNL     1       1.509  -1.941  -0.796  1.00  0.00           H  
HETATM   59  H   UNL     1       1.235  -0.395  -1.635  1.00  0.00           H  
HETATM   60  H   UNL     1       2.288  -0.655   1.217  1.00  0.00           H  
HETATM   61  H   UNL     1       2.402   4.161  -0.804  1.00  0.00           H  
HETATM   62  H   UNL     1       0.693   3.714  -0.507  1.00  0.00           H  
HETATM   63  H   UNL     1       3.028   3.737   1.432  1.00  0.00           H  
HETATM   64  H   UNL     1       1.290   4.059   1.747  1.00  0.00           H  
HETATM   65  H   UNL     1       0.754   1.769   1.863  1.00  0.00           H  
HETATM   66  H   UNL     1       2.475   1.620   2.326  1.00  0.00           H  
HETATM   67  H   UNL     1       3.869  -1.520  -0.534  1.00  0.00           H  
HETATM   68  H   UNL     1       3.770   0.058  -1.353  1.00  0.00           H  
HETATM   69  H   UNL     1       4.614   1.174   0.694  1.00  0.00           H  
HETATM   70  H   UNL     1       4.713  -0.403   1.513  1.00  0.00           H  
HETATM   71  H   UNL     1       8.224   0.343  -2.334  1.00  0.00           H  
HETATM   72  H   UNL     1       8.873   0.678  -0.699  1.00  0.00           H  
HETATM   73  H   UNL     1       7.649  -1.880  -1.784  1.00  0.00           H  
HETATM   74  H   UNL     1       8.941  -1.676  -0.554  1.00  0.00           H  
HETATM   75  H   UNL     1       7.405  -1.259   1.177  1.00  0.00           H  
HETATM   76  H   UNL     1       6.304  -2.204   0.132  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.589  -4.213   2.865  1.00  0.00           H  
HETATM   78  H   UNL     1       1.013  -3.480   3.181  1.00  0.00           H  
HETATM   79  H   UNL     1       0.585  -0.447   2.933  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.151  -0.235   2.557  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.747  -2.280   3.569  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.243  -1.989   4.505  1.00  0.00           H  
CONECT    1    5    2    2   40                                       
CONECT    2    3    1    1   41                                       
CONECT    3    7    4    2                                            
CONECT    4    6    6    3    5                                       
CONECT    5    4    1   42   43                                       
CONECT    6    4    4                                                 
CONECT    7    9    8    3   44                                       
CONECT    8   16    7   45   46                                       
CONECT    9   10    7   47   48                                       
CONECT   10    9   11   49   50                                       
CONECT   11   10   12   15                                            
CONECT   12   11   17   17   13                                       
CONECT   13   12   14   51   52                                       
CONECT   14   15   13   53   54                                       
CONECT   15   11   14   55   56                                       
CONECT   16   18    8   37   57                                       
CONECT   17   12   12                                                 
CONECT   18   19   16   58   59                                       
CONECT   19   26   20   18   60                                       
CONECT   20   19   21   24                                            
CONECT   21   25   25   20   22                                       
CONECT   22   21   23   61   62                                       
CONECT   23   24   22   63   64                                       
CONECT   24   20   23   65   66                                       
CONECT   25   21   21                                                 
CONECT   26   27   19   67   68                                       
CONECT   27   28   26   69   70                                       
CONECT   28   32   27   29                                            
CONECT   29   28   30   33   33                                       
CONECT   30   31   29   71   72                                       
CONECT   31   32   30   73   74                                       
CONECT   32   31   28   75   76                                       
CONECT   33   29   29                                                 
CONECT   34   35   39   77   78                                       
CONECT   35   36   36   37   34                                       
CONECT   36   35   35                                                 
CONECT   37   16   35   38                                            
CONECT   38   37   39   79   80                                       
CONECT   39   34   38   81   82                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
