COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.352  -0.702   0.326  1.00  0.00           N  
HETATM    2  N   UNL     1       3.269   0.004   0.147  1.00  0.00           N  
HETATM    3  C   UNL     1       0.229  -2.958   0.879  1.00  0.00           C  
HETATM    4  C   UNL     1       0.002  -2.606   2.351  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.165  -1.675   2.682  1.00  0.00           C  
HETATM    6  C   UNL     1       0.293  -3.693   3.388  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.461  -2.085  -0.192  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.576   0.045  -0.456  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.344  -0.539  -2.549  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.913   0.547   0.018  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.356   0.801   0.358  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.443   1.695   0.960  1.00  0.00           C  
HETATM   13  C   UNL     1       4.273   0.187  -0.904  1.00  0.00           C  
HETATM   14  C   UNL     1       4.988  -1.141  -1.163  1.00  0.00           C  
HETATM   15  C   UNL     1       5.292   1.237  -0.459  1.00  0.00           C  
HETATM   16  C   UNL     1       5.616   3.681   0.099  1.00  0.00           C  
HETATM   17  C   UNL     1       3.599   2.565   0.813  1.00  0.00           C  
HETATM   18  O   UNL     1       1.763  -0.705  -1.320  1.00  0.00           O  
HETATM   19  C   UNL     1       2.039  -0.449  -0.167  1.00  0.00           C  
HETATM   20  C   UNL     1       1.006  -0.637   0.914  1.00  0.00           C  
HETATM   21  C   UNL     1       1.196  -2.002   1.609  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.276   0.278   0.269  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.401   0.383  -1.938  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.731   0.188  -2.667  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.951   1.839  -2.079  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.617   0.901   0.120  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.983   1.428   0.611  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.414  -0.581   1.011  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.585   0.664  -1.148  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.219  -0.480  -0.550  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.062   1.345   0.803  1.00  0.00           O  
HETATM   32  C   UNL     1       3.984  -2.175  -1.602  1.00  0.00           C  
HETATM   33  N   UNL     1       3.327  -2.024  -2.769  1.00  0.00           N  
HETATM   34  O   UNL     1       3.766  -3.143  -0.904  1.00  0.00           O  
HETATM   35  O   UNL     1       5.629  -1.578   0.037  1.00  0.00           O  
HETATM   36  C   UNL     1       4.600   2.594  -0.321  1.00  0.00           C  
HETATM   37  C   UNL     1       5.463   3.679   1.636  1.00  0.00           C  
HETATM   38  N   UNL     1       4.106   3.184   1.894  1.00  0.00           N  
HETATM   39  O   UNL     1       2.499   2.057   0.756  1.00  0.00           O  
HETATM   40  H   UNL     1       3.489   0.209   1.069  1.00  0.00           H  
HETATM   41  H   UNL     1       0.519  -3.973   0.608  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.812  -0.859   3.312  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.579  -1.268   1.759  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.938  -2.234   3.211  1.00  0.00           H  
HETATM   45  H   UNL     1       0.777  -4.539   2.902  1.00  0.00           H  
HETATM   46  H   UNL     1       0.951  -3.292   4.159  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.642  -4.021   3.843  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.508  -2.370  -0.298  1.00  0.00           H  
HETATM   49  H   UNL     1       0.057  -2.176  -1.147  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.868  -1.000  -0.354  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.681  -1.573  -2.483  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.191  -0.273  -3.596  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.406  -0.427  -2.006  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.280   1.793   2.033  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.401   2.680   0.495  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.421   1.249   0.780  1.00  0.00           H  
HETATM   57  H   UNL     1       3.784   0.521  -1.820  1.00  0.00           H  
HETATM   58  H   UNL     1       5.735  -1.005  -1.945  1.00  0.00           H  
HETATM   59  H   UNL     1       5.717   0.947   0.502  1.00  0.00           H  
HETATM   60  H   UNL     1       6.088   1.309  -1.201  1.00  0.00           H  
HETATM   61  H   UNL     1       6.629   3.401  -0.192  1.00  0.00           H  
HETATM   62  H   UNL     1       5.346   4.650  -0.319  1.00  0.00           H  
HETATM   63  H   UNL     1       1.067   0.173   1.641  1.00  0.00           H  
HETATM   64  H   UNL     1       2.208  -2.286   1.898  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.484   0.844  -2.231  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.606   0.428  -3.723  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.052  -0.850  -2.566  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.003   1.978  -1.560  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.826   2.079  -3.135  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.704   2.496  -1.644  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.372   1.723   0.574  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.820   1.525   1.684  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.942   2.412   0.146  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.392  -1.027   0.831  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.640  -1.218   0.582  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.251  -0.483   2.084  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.563   0.218  -1.328  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.544   1.649  -1.613  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.811   0.027  -1.577  1.00  0.00           H  
HETATM   80  H   UNL     1       3.501  -1.250  -3.327  1.00  0.00           H  
HETATM   81  H   UNL     1       2.681  -2.690  -3.051  1.00  0.00           H  
HETATM   82  H   UNL     1       5.023  -1.720   0.777  1.00  0.00           H  
HETATM   83  H   UNL     1       4.112   2.869  -1.256  1.00  0.00           H  
HETATM   84  H   UNL     1       6.200   3.015   2.088  1.00  0.00           H  
HETATM   85  H   UNL     1       5.578   4.690   2.028  1.00  0.00           H  
HETATM   86  H   UNL     1       3.636   3.289   2.736  1.00  0.00           H  
CONECT    1   20   22    7                                            
CONECT    2   13   19   40                                            
CONECT    3   21    4    7   41                                       
CONECT    4    5   21    6    3                                       
CONECT    5    4   42   43   44                                       
CONECT    6    4   45   46   47                                       
CONECT    7    1    3   48   49                                       
CONECT    8   22   26   23   50                                       
CONECT    9   23   51   52   53                                       
CONECT   10   27   26   30   30                                       
CONECT   11   12   29   27   28                                       
CONECT   12   11   54   55   56                                       
CONECT   13   15   14    2   57                                       
CONECT   14   32   13   35   58                                       
CONECT   15   36   13   59   60                                       
CONECT   16   36   37   61   62                                       
CONECT   17   39   39   38   36                                       
CONECT   18   19   19                                                 
CONECT   19    2   20   18   18                                       
CONECT   20   19    1   21   63                                       
CONECT   21   20    4    3   64                                       
CONECT   22   31   31    1    8                                       
CONECT   23   24    8    9   25                                       
CONECT   24   23   65   66   67                                       
CONECT   25   23   68   69   70                                       
CONECT   26    8   10   71                                            
CONECT   27   11   10   72   73                                       
CONECT   28   11   74   75   76                                       
CONECT   29   11   77   78   79                                       
CONECT   30   10   10                                                 
CONECT   31   22   22                                                 
CONECT   32   34   34   14   33                                       
CONECT   33   32   80   81                                            
CONECT   34   32   32                                                 
CONECT   35   14   82                                                 
CONECT   36   17   15   16   83                                       
CONECT   37   38   16   84   85                                       
CONECT   38   17   37   86                                            
CONECT   39   17   17                                                 
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
