COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.389   3.378   0.964  1.00  0.00           C  
HETATM    2  C   UNL     1       4.760   2.188   0.118  1.00  0.00           C  
HETATM    3  C   UNL     1       6.040   1.660   0.158  1.00  0.00           C  
HETATM    4  C   UNL     1       6.349   0.567  -0.630  1.00  0.00           C  
HETATM    5  N   UNL     1       5.445   0.019  -1.420  1.00  0.00           N  
HETATM    6  C   UNL     1       4.211   0.485  -1.494  1.00  0.00           C  
HETATM    7  C   UNL     1       3.820   1.586  -0.721  1.00  0.00           C  
HETATM    8  C   UNL     1       2.435   2.106  -0.797  1.00  0.00           C  
HETATM    9  C   UNL     1       2.089   3.036  -1.770  1.00  0.00           C  
HETATM   10  C   UNL     1       0.794   3.527  -1.846  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.164   3.108  -0.969  1.00  0.00           C  
HETATM   12  C   UNL     1       0.153   2.170   0.024  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.598   1.555   1.054  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.058   1.788   1.351  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.905   0.794   0.553  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.386   1.030   0.854  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.177   0.102   0.109  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.524   0.177   0.263  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.070   1.109   1.100  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.449   1.200   1.268  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.294   0.363   0.605  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.773  -0.610  -0.265  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.616  -1.485  -0.970  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.076  -2.408  -1.813  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.697  -2.498  -1.988  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.849  -1.666  -1.322  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.370  -0.702  -0.445  1.00  0.00           C  
HETATM   28  C   UNL     1       0.233   0.717   1.728  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.145  -0.120   2.875  1.00  0.00           C  
HETATM   30  O   UNL     1       0.772  -0.915   3.462  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.286  -0.096   3.294  1.00  0.00           O  
HETATM   32  N   UNL     1       1.492   0.777   1.161  1.00  0.00           N  
HETATM   33  C   UNL     1       2.664   0.018   1.604  1.00  0.00           C  
HETATM   34  C   UNL     1       2.717  -1.297   0.871  1.00  0.00           C  
HETATM   35  O   UNL     1       1.860  -1.574   0.058  1.00  0.00           O  
HETATM   36  N   UNL     1       3.717  -2.167   1.118  1.00  0.00           N  
HETATM   37  C   UNL     1       3.788  -3.456   0.414  1.00  0.00           C  
HETATM   38  C   UNL     1       5.192  -3.609  -0.181  1.00  0.00           C  
HETATM   39  N   UNL     1       6.192  -3.425   0.879  1.00  0.00           N  
HETATM   40  C   UNL     1       6.132  -2.068   1.438  1.00  0.00           C  
HETATM   41  C   UNL     1       4.770  -1.848   2.094  1.00  0.00           C  
HETATM   42  C   UNL     1       1.462   1.660   0.110  1.00  0.00           C  
HETATM   43  N   UNL     1       3.288  -0.128  -2.345  1.00  0.00           N  
HETATM   44  C   UNL     1       2.407   0.506  -3.184  1.00  0.00           C  
HETATM   45  C   UNL     1       1.710  -0.457  -3.816  1.00  0.00           C  
HETATM   46  N   UNL     1       2.148  -1.648  -3.379  1.00  0.00           N  
HETATM   47  C   UNL     1       3.097  -1.464  -2.502  1.00  0.00           C  
HETATM   48  H   UNL     1       4.583   4.295   0.407  1.00  0.00           H  
HETATM   49  H   UNL     1       3.331   3.326   1.221  1.00  0.00           H  
HETATM   50  H   UNL     1       4.985   3.375   1.877  1.00  0.00           H  
HETATM   51  H   UNL     1       6.790   2.098   0.799  1.00  0.00           H  
HETATM   52  H   UNL     1       7.347   0.155  -0.599  1.00  0.00           H  
HETATM   53  H   UNL     1       2.835   3.378  -2.472  1.00  0.00           H  
HETATM   54  H   UNL     1       0.542   4.249  -2.608  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.168   3.499  -1.041  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.239   1.646   2.416  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.328   2.805   1.068  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.723   0.935  -0.512  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.634  -0.223   0.836  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.567   0.889   1.919  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.657   2.047   0.571  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.422   1.785   1.638  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.855   1.945   1.936  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.361   0.446   0.748  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.687  -1.427  -0.843  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.726  -3.080  -2.353  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.293  -3.239  -2.663  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.782  -1.748  -1.467  1.00  0.00           H  
HETATM   69  H   UNL     1       0.476  -1.447   4.213  1.00  0.00           H  
HETATM   70  H   UNL     1       3.568   0.589   1.391  1.00  0.00           H  
HETATM   71  H   UNL     1       2.594  -0.166   2.676  1.00  0.00           H  
HETATM   72  H   UNL     1       3.597  -4.267   1.116  1.00  0.00           H  
HETATM   73  H   UNL     1       3.047  -3.478  -0.386  1.00  0.00           H  
HETATM   74  H   UNL     1       5.298  -4.605  -0.611  1.00  0.00           H  
HETATM   75  H   UNL     1       5.342  -2.859  -0.957  1.00  0.00           H  
HETATM   76  H   UNL     1       6.084  -4.119   1.603  1.00  0.00           H  
HETATM   77  H   UNL     1       6.919  -1.945   2.181  1.00  0.00           H  
HETATM   78  H   UNL     1       6.269  -1.339   0.639  1.00  0.00           H  
HETATM   79  H   UNL     1       4.678  -0.808   2.406  1.00  0.00           H  
HETATM   80  H   UNL     1       4.675  -2.502   2.961  1.00  0.00           H  
HETATM   81  H   UNL     1       2.294   1.572  -3.313  1.00  0.00           H  
HETATM   82  H   UNL     1       0.932  -0.299  -4.548  1.00  0.00           H  
HETATM   83  H   UNL     1       3.635  -2.244  -1.983  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1    7    7    3                                       
CONECT    3    2    4    4   51                                       
CONECT    4    3    3    5   52                                       
CONECT    5    6    6    4                                            
CONECT    6    7   43    5    5                                       
CONECT    7    8    2    2    6                                       
CONECT    8    9    9   42    7                                       
CONECT    9   10    8    8   53                                       
CONECT   10   11   11    9   54                                       
CONECT   11   10   10   12   55                                       
CONECT   12   11   13   42   42                                       
CONECT   13   14   12   28   28                                       
CONECT   14   15   13   56   57                                       
CONECT   15   16   14   58   59                                       
CONECT   16   17   15   60   61                                       
CONECT   17   18   16                                                 
CONECT   18   27   17   19   19                                       
CONECT   19   18   18   20   62                                       
CONECT   20   21   21   19   63                                       
CONECT   21   22   20   20   64                                       
CONECT   22   23   23   27   21                                       
CONECT   23   24   22   22   65                                       
CONECT   24   25   25   23   66                                       
CONECT   25   24   24   26   67                                       
CONECT   26   25   27   27   68                                       
CONECT   27   26   26   22   18                                       
CONECT   28   13   13   29   32                                       
CONECT   29   28   31   31   30                                       
CONECT   30   29   69                                                 
CONECT   31   29   29                                                 
CONECT   32   28   42   33                                            
CONECT   33   32   34   70   71                                       
CONECT   34   33   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   41                                            
CONECT   37   36   38   72   73                                       
CONECT   38   37   39   74   75                                       
CONECT   39   38   40   76                                            
CONECT   40   41   39   77   78                                       
CONECT   41   36   40   79   80                                       
CONECT   42   12   12    8   32                                       
CONECT   43   47    6   44                                            
CONECT   44   43   45   45   81                                       
CONECT   45   46   44   44   82                                       
CONECT   46   47   47   45                                            
CONECT   47   46   46   43   83                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   47                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
