COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.886   0.421   0.111  1.00  0.00           C  
HETATM    2  O   UNL     1       5.096  -0.406   0.978  1.00  0.00           O  
HETATM    3  N   UNL     1       5.919   1.000  -0.532  1.00  0.00           N  
HETATM    4  C   UNL     1       7.295   0.639  -0.183  1.00  0.00           C  
HETATM    5  C   UNL     1       7.549   0.961   1.291  1.00  0.00           C  
HETATM    6  C   UNL     1       7.505  -0.858  -0.420  1.00  0.00           C  
HETATM    7  C   UNL     1       8.269   1.435  -1.054  1.00  0.00           C  
HETATM    8  N   UNL     1       3.620   0.754  -0.210  1.00  0.00           N  
HETATM    9  C   UNL     1       2.497   0.124   0.489  1.00  0.00           C  
HETATM   10  C   UNL     1       2.212   0.884   1.786  1.00  0.00           C  
HETATM   11  C   UNL     1       3.474   0.906   2.651  1.00  0.00           C  
HETATM   12  C   UNL     1       1.796   2.319   1.455  1.00  0.00           C  
HETATM   13  C   UNL     1       1.083   0.188   2.547  1.00  0.00           C  
HETATM   14  C   UNL     1       1.275   0.157  -0.392  1.00  0.00           C  
HETATM   15  O   UNL     1       1.147   1.036  -1.218  1.00  0.00           O  
HETATM   16  N   UNL     1       0.324  -0.789  -0.262  1.00  0.00           N  
HETATM   17  C   UNL     1       0.340  -1.978   0.622  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.977  -0.874  -0.966  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.153  -2.375  -1.280  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.282  -3.105  -0.230  1.00  0.00           C  
HETATM   21  C   UNL     1       0.078  -3.169  -1.722  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.160  -4.493  -2.449  1.00  0.00           C  
HETATM   23  C   UNL     1       1.301  -2.374  -2.185  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.090  -0.389  -0.073  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.921  -0.326   1.126  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.273  -0.027  -0.607  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.355   0.443   0.261  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.298   1.343  -0.541  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.551   2.605  -0.977  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.804   2.448  -2.312  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.444   3.635  -1.688  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.268   3.875  -2.649  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.985  -1.827   0.286  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.122  -0.739   0.794  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.186   0.525   2.460  1.00  0.00           O  
HETATM   36  N   UNL     1      -6.734  -1.625   2.427  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.049  -0.568   1.950  1.00  0.00           C  
HETATM   38  H   UNL     1       5.752   1.657  -1.226  1.00  0.00           H  
HETATM   39  H   UNL     1       6.855   0.394   1.912  1.00  0.00           H  
HETATM   40  H   UNL     1       8.573   0.692   1.551  1.00  0.00           H  
HETATM   41  H   UNL     1       7.399   2.028   1.461  1.00  0.00           H  
HETATM   42  H   UNL     1       7.324  -1.088  -1.470  1.00  0.00           H  
HETATM   43  H   UNL     1       8.528  -1.128  -0.160  1.00  0.00           H  
HETATM   44  H   UNL     1       6.811  -1.425   0.201  1.00  0.00           H  
HETATM   45  H   UNL     1       8.119   2.501  -0.885  1.00  0.00           H  
HETATM   46  H   UNL     1       9.292   1.165  -0.794  1.00  0.00           H  
HETATM   47  H   UNL     1       8.088   1.205  -2.104  1.00  0.00           H  
HETATM   48  H   UNL     1       3.453   1.410  -0.904  1.00  0.00           H  
HETATM   49  H   UNL     1       2.749  -0.911   0.722  1.00  0.00           H  
HETATM   50  H   UNL     1       4.278   1.401   2.109  1.00  0.00           H  
HETATM   51  H   UNL     1       3.271   1.447   3.575  1.00  0.00           H  
HETATM   52  H   UNL     1       3.770  -0.116   2.887  1.00  0.00           H  
HETATM   53  H   UNL     1       0.898   2.303   0.838  1.00  0.00           H  
HETATM   54  H   UNL     1       1.593   2.860   2.379  1.00  0.00           H  
HETATM   55  H   UNL     1       2.601   2.815   0.912  1.00  0.00           H  
HETATM   56  H   UNL     1       1.353  -0.853   2.726  1.00  0.00           H  
HETATM   57  H   UNL     1       0.923   0.691   3.501  1.00  0.00           H  
HETATM   58  H   UNL     1       0.167   0.229   1.957  1.00  0.00           H  
HETATM   59  H   UNL     1       1.363  -2.231   0.900  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.262  -1.797   1.512  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.949  -0.291  -1.887  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.153  -2.723  -1.540  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.635  -3.996   0.291  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.727  -4.309  -3.362  1.00  0.00           H  
HETATM   65  H   UNL     1       0.798  -4.946  -2.703  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.721  -5.167  -1.802  1.00  0.00           H  
HETATM   67  H   UNL     1       1.646  -1.733  -1.373  1.00  0.00           H  
HETATM   68  H   UNL     1       2.097  -3.063  -2.467  1.00  0.00           H  
HETATM   69  H   UNL     1       1.031  -1.759  -3.043  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.408  -0.078  -1.566  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.934   1.008   1.093  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.650   0.806  -1.422  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.150   1.621   0.079  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.941   3.032  -0.181  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.724   2.355  -2.200  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.230   1.685  -2.964  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.319   3.196  -2.169  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.689   4.500  -1.072  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.579   4.649  -2.311  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.572   4.001  -3.688  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.625  -2.499   2.018  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.337  -1.514   3.178  1.00  0.00           H  
CONECT    1    8    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   38                                            
CONECT    4    3    6    5    7                                       
CONECT    5    4   39   40   41                                       
CONECT    6    4   42   43   44                                       
CONECT    7    4   45   46   47                                       
CONECT    8    1    9   48                                            
CONECT    9    8   10   14   49                                       
CONECT   10    9   12   13   11                                       
CONECT   11   10   50   51   52                                       
CONECT   12   10   53   54   55                                       
CONECT   13   10   56   57   58                                       
CONECT   14    9   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   20   59   60                                       
CONECT   18   16   24   19   61                                       
CONECT   19   18   20   21   62                                       
CONECT   20   17   19   21   63                                       
CONECT   21   19   20   23   22                                       
CONECT   22   21   64   65   66                                       
CONECT   23   21   67   68   69                                       
CONECT   24   18   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   70                                            
CONECT   27   26   28   34   71                                       
CONECT   28   27   29   72   73                                       
CONECT   29   28   31   30   74                                       
CONECT   30   29   32   75   76                                       
CONECT   31   29   32   77   78                                       
CONECT   32   30   31   79   80                                       
CONECT   33   34   34                                                 
CONECT   34   27   33   33   37                                       
CONECT   35   37   37                                                 
CONECT   36   37   81   82                                            
CONECT   37   34   35   35   36                                       
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
