COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.791  -1.288   0.077  1.00  0.00           C  
HETATM    2  C   UNL     1       5.727  -2.389  -0.427  1.00  0.00           C  
HETATM    3  O   UNL     1       5.589  -2.523  -1.843  1.00  0.00           O  
HETATM    4  C   UNL     1       7.173  -2.013  -0.088  1.00  0.00           C  
HETATM    5  O   UNL     1       7.329  -1.943   1.331  1.00  0.00           O  
HETATM    6  C   UNL     1       7.494  -0.649  -0.707  1.00  0.00           C  
HETATM    7  O   UNL     1       8.816  -0.256  -0.336  1.00  0.00           O  
HETATM    8  C   UNL     1       6.489   0.385  -0.192  1.00  0.00           C  
HETATM    9  O   UNL     1       5.163  -0.040  -0.513  1.00  0.00           O  
HETATM   10  C   UNL     1       6.628   0.519   1.326  1.00  0.00           C  
HETATM   11  C   UNL     1       3.350  -1.626  -0.311  1.00  0.00           C  
HETATM   12  C   UNL     1       2.416  -0.608   0.289  1.00  0.00           C  
HETATM   13  O   UNL     1       2.859   0.300   0.962  1.00  0.00           O  
HETATM   14  N   UNL     1       1.088  -0.705   0.079  1.00  0.00           N  
HETATM   15  C   UNL     1       0.180   0.285   0.663  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.189  -0.324   0.828  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.496  -1.307   0.188  1.00  0.00           O  
HETATM   18  C   UNL     1       0.088   1.501  -0.261  1.00  0.00           C  
HETATM   19  C   UNL     1       1.443   2.210  -0.306  1.00  0.00           C  
HETATM   20  C   UNL     1       1.352   3.426  -1.230  1.00  0.00           C  
HETATM   21  C   UNL     1       2.707   4.135  -1.275  1.00  0.00           C  
HETATM   22  N   UNL     1       2.619   5.303  -2.163  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.071   0.223   1.688  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.466  -0.204   1.872  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.217  -0.076   0.572  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.649   0.332  -0.419  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.093   0.724   2.934  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.185   1.980   2.877  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.796   1.346   2.602  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.520  -0.416   0.510  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.250  -0.292  -0.754  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.760   1.119  -0.903  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.535   1.939  -0.039  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.432  -1.263  -0.758  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.909  -2.701  -0.732  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.087  -3.670  -0.610  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.144  -2.989  -2.025  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.465   1.469  -1.997  1.00  0.00           N  
HETATM   39  H   UNL     1       4.868  -1.214   1.161  1.00  0.00           H  
HETATM   40  H   UNL     1       5.472  -3.333   0.054  1.00  0.00           H  
HETATM   41  H   UNL     1       6.154  -3.204  -2.231  1.00  0.00           H  
HETATM   42  H   UNL     1       7.850  -2.767  -0.492  1.00  0.00           H  
HETATM   43  H   UNL     1       8.222  -1.709   1.617  1.00  0.00           H  
HETATM   44  H   UNL     1       7.425  -0.717  -1.793  1.00  0.00           H  
HETATM   45  H   UNL     1       9.087   0.601  -0.694  1.00  0.00           H  
HETATM   46  H   UNL     1       6.686   1.348  -0.662  1.00  0.00           H  
HETATM   47  H   UNL     1       7.674   0.685   1.582  1.00  0.00           H  
HETATM   48  H   UNL     1       6.031   1.363   1.672  1.00  0.00           H  
HETATM   49  H   UNL     1       6.277  -0.395   1.805  1.00  0.00           H  
HETATM   50  H   UNL     1       3.253  -1.612  -1.397  1.00  0.00           H  
HETATM   51  H   UNL     1       3.096  -2.618   0.064  1.00  0.00           H  
HETATM   52  H   UNL     1       0.734  -1.430  -0.458  1.00  0.00           H  
HETATM   53  H   UNL     1       0.559   0.596   1.637  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.185   1.175  -1.264  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.669   2.188   0.117  1.00  0.00           H  
HETATM   56  H   UNL     1       1.717   2.536   0.698  1.00  0.00           H  
HETATM   57  H   UNL     1       2.201   1.523  -0.683  1.00  0.00           H  
HETATM   58  H   UNL     1       1.079   3.100  -2.234  1.00  0.00           H  
HETATM   59  H   UNL     1       0.595   4.113  -0.853  1.00  0.00           H  
HETATM   60  H   UNL     1       2.980   4.462  -0.272  1.00  0.00           H  
HETATM   61  H   UNL     1       3.464   3.448  -1.653  1.00  0.00           H  
HETATM   62  H   UNL     1       3.503   5.789  -2.210  1.00  0.00           H  
HETATM   63  H   UNL     1       2.305   5.035  -3.083  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.494  -1.238   2.216  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.119   0.977   2.667  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.052   0.263   3.921  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.484   2.642   2.064  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.189   2.509   3.830  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.354   0.981   3.529  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.136   2.071   2.126  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.974  -0.742   1.303  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.583  -0.527  -1.583  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.051  -1.086   0.121  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.026  -1.109  -1.658  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.243  -2.830   0.121  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.754  -3.541  -1.463  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.715  -4.694  -0.592  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.633  -3.465   0.311  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.810  -2.860  -2.878  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.305  -2.299  -2.112  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.772  -4.014  -2.007  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.645   0.812  -2.688  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.793   2.376  -2.093  1.00  0.00           H  
CONECT    1    2    9   11   39                                       
CONECT    2    1    3    4   40                                       
CONECT    3    2   41                                                 
CONECT    4    2    5    6   42                                       
CONECT    5    4   43                                                 
CONECT    6    4    7    8   44                                       
CONECT    7    6   45                                                 
CONECT    8    6    9   10   46                                       
CONECT    9    1    8                                                 
CONECT   10    8   47   48   49                                       
CONECT   11    1   12   50   51                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   52                                            
CONECT   15   14   16   18   53                                       
CONECT   16   15   17   17   23                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   54   55                                       
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   21   62   63                                            
CONECT   23   16   24   29                                            
CONECT   24   23   25   27   64                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   65   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   23   28   69   70                                       
CONECT   30   25   31   71                                            
CONECT   31   30   32   34   72                                       
CONECT   32   31   33   33   38                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   73   74                                       
CONECT   35   34   36   37   75                                       
CONECT   36   35   76   77   78                                       
CONECT   37   35   79   80   81                                       
CONECT   38   32   82   83                                            
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
