COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.507   0.184  -0.242  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.686   0.670  -0.963  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.824  -0.099  -1.017  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.856  -1.324  -0.394  1.00  0.00           N  
HETATM    5  N   UNL     1      -7.873   0.334  -1.659  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.657   1.374   0.207  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.429   2.213   1.068  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.425   0.866   0.961  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.611   2.006   1.390  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.902   2.653   2.568  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.138   3.722   2.971  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.902   2.252   3.302  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.599  -0.033   0.039  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.449  -0.507   0.743  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.449  -1.223  -0.410  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.676  -2.063  -1.270  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.680  -0.715  -1.163  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.474  -1.827  -1.582  1.00  0.00           O  
HETATM   19  C   UNL     1       0.684  -0.752  -0.093  1.00  0.00           C  
HETATM   20  C   UNL     1       1.910  -1.140   0.763  1.00  0.00           C  
HETATM   21  C   UNL     1       1.893  -2.684   0.766  1.00  0.00           C  
HETATM   22  O   UNL     1       3.085  -3.200   0.168  1.00  0.00           O  
HETATM   23  C   UNL     1       1.739  -3.208   2.170  1.00  0.00           C  
HETATM   24  O   UNL     1       0.791  -3.898   2.457  1.00  0.00           O  
HETATM   25  C   UNL     1       0.659  -3.048  -0.089  1.00  0.00           C  
HETATM   26  C   UNL     1       0.943  -4.291  -0.935  1.00  0.00           C  
HETATM   27  O   UNL     1       0.447  -1.899  -0.938  1.00  0.00           O  
HETATM   28  O   UNL     1       3.113  -0.653   0.163  1.00  0.00           O  
HETATM   29  C   UNL     1       3.562   0.596   0.692  1.00  0.00           C  
HETATM   30  C   UNL     1       5.014   0.837   0.271  1.00  0.00           C  
HETATM   31  N   UNL     1       5.851  -0.276   0.739  1.00  0.00           N  
HETATM   32  C   UNL     1       6.284  -0.061   2.126  1.00  0.00           C  
HETATM   33  C   UNL     1       5.087   0.925  -1.257  1.00  0.00           C  
HETATM   34  O   UNL     1       6.426   1.222  -1.655  1.00  0.00           O  
HETATM   35  C   UNL     1       4.150   2.037  -1.738  1.00  0.00           C  
HETATM   36  O   UNL     1       4.155   2.081  -3.166  1.00  0.00           O  
HETATM   37  C   UNL     1       2.731   1.750  -1.240  1.00  0.00           C  
HETATM   38  O   UNL     1       2.740   1.650   0.186  1.00  0.00           O  
HETATM   39  C   UNL     1       1.801   2.888  -1.665  1.00  0.00           C  
HETATM   40  O   UNL     1       0.457   2.566  -1.302  1.00  0.00           O  
HETATM   41  H   UNL     1      -4.825  -0.386   0.632  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.663   1.534  -1.403  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.076  -1.646   0.084  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.660  -1.866  -0.432  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.850   1.198  -2.098  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.339   1.943  -0.666  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.227   2.572   0.655  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.743   0.297   1.834  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.867   2.304   0.844  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.394   4.020   2.425  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.343   4.179   3.802  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.441   1.498   3.018  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.281   0.536  -0.835  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.767  -1.792   0.464  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.153  -2.839  -1.594  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.362  -0.146  -2.037  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.012  -2.440  -2.170  1.00  0.00           H  
HETATM   58  H   UNL     1       0.906   0.127  -0.698  1.00  0.00           H  
HETATM   59  H   UNL     1       1.805  -0.754   1.777  1.00  0.00           H  
HETATM   60  H   UNL     1       3.127  -4.165   0.144  1.00  0.00           H  
HETATM   61  H   UNL     1       2.477  -2.966   2.921  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.209  -3.215   0.549  1.00  0.00           H  
HETATM   63  H   UNL     1       1.181  -5.129  -0.280  1.00  0.00           H  
HETATM   64  H   UNL     1       0.064  -4.534  -1.531  1.00  0.00           H  
HETATM   65  H   UNL     1       1.788  -4.095  -1.596  1.00  0.00           H  
HETATM   66  H   UNL     1       3.497   0.575   1.780  1.00  0.00           H  
HETATM   67  H   UNL     1       5.370   1.770   0.708  1.00  0.00           H  
HETATM   68  H   UNL     1       5.369  -1.157   0.643  1.00  0.00           H  
HETATM   69  H   UNL     1       6.862   0.861   2.188  1.00  0.00           H  
HETATM   70  H   UNL     1       5.410   0.014   2.772  1.00  0.00           H  
HETATM   71  H   UNL     1       6.903  -0.900   2.447  1.00  0.00           H  
HETATM   72  H   UNL     1       4.779  -0.026  -1.692  1.00  0.00           H  
HETATM   73  H   UNL     1       6.546   1.293  -2.612  1.00  0.00           H  
HETATM   74  H   UNL     1       4.489   2.995  -1.343  1.00  0.00           H  
HETATM   75  H   UNL     1       3.582   2.764  -3.541  1.00  0.00           H  
HETATM   76  H   UNL     1       2.378   0.812  -1.668  1.00  0.00           H  
HETATM   77  H   UNL     1       2.101   3.809  -1.166  1.00  0.00           H  
HETATM   78  H   UNL     1       1.863   3.023  -2.745  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.189   3.244  -1.543  1.00  0.00           H  
CONECT    1    2    6   17   41                                       
CONECT    2    1    3   42                                            
CONECT    3    2    4    5    5                                       
CONECT    4    3   43   44                                            
CONECT    5    3    3   45                                            
CONECT    6    1    7    8   46                                       
CONECT    7    6   47                                                 
CONECT    8    6    9   13   48                                       
CONECT    9    8   10   49                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   50   51                                            
CONECT   12   10   10   52                                            
CONECT   13    8   14   15   53                                       
CONECT   14   13   19                                                 
CONECT   15   13   16   17   54                                       
CONECT   16   15   55                                                 
CONECT   17    1   15   18   56                                       
CONECT   18   17   57                                                 
CONECT   19   14   20   27   58                                       
CONECT   20   19   21   28   59                                       
CONECT   21   20   22   23   25                                       
CONECT   22   21   60                                                 
CONECT   23   21   24   24   61                                       
CONECT   24   23   23                                                 
CONECT   25   21   26   27   62                                       
CONECT   26   25   63   64   65                                       
CONECT   27   19   25                                                 
CONECT   28   20   29                                                 
CONECT   29   28   30   38   66                                       
CONECT   30   29   31   33   67                                       
CONECT   31   30   32   68                                            
CONECT   32   31   69   70   71                                       
CONECT   33   30   34   35   72                                       
CONECT   34   33   73                                                 
CONECT   35   33   36   37   74                                       
CONECT   36   35   75                                                 
CONECT   37   35   38   39   76                                       
CONECT   38   29   37                                                 
CONECT   39   37   40   77   78                                       
CONECT   40   39   79                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
