COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.615  -0.067   0.495  1.00  0.00           N  
HETATM    2  C   UNL     1       4.823  -0.459   0.944  1.00  0.00           C  
HETATM    3  O   UNL     1       5.943   0.056   0.400  1.00  0.00           O  
HETATM    4  C   UNL     1       7.245  -0.367   0.884  1.00  0.00           C  
HETATM    5  C   UNL     1       8.324   0.353   0.116  1.00  0.00           C  
HETATM    6  C   UNL     1       8.805   1.566   0.572  1.00  0.00           C  
HETATM    7  C   UNL     1       9.794   2.226  -0.132  1.00  0.00           C  
HETATM    8  C   UNL     1      10.303   1.673  -1.292  1.00  0.00           C  
HETATM    9  C   UNL     1       9.822   0.460  -1.748  1.00  0.00           C  
HETATM   10  C   UNL     1       8.836  -0.203  -1.041  1.00  0.00           C  
HETATM   11  O   UNL     1       4.903  -1.277   1.839  1.00  0.00           O  
HETATM   12  C   UNL     1       2.397  -0.627   1.086  1.00  0.00           C  
HETATM   13  C   UNL     1       2.026   0.168   2.340  1.00  0.00           C  
HETATM   14  C   UNL     1       3.113  -0.017   3.401  1.00  0.00           C  
HETATM   15  C   UNL     1       2.807   0.874   4.606  1.00  0.00           C  
HETATM   16  C   UNL     1       3.148  -1.481   3.845  1.00  0.00           C  
HETATM   17  C   UNL     1       1.270  -0.545   0.088  1.00  0.00           C  
HETATM   18  O   UNL     1       1.466  -0.066  -1.009  1.00  0.00           O  
HETATM   19  N   UNL     1       0.046  -1.004   0.415  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.049  -0.925  -0.555  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.000  -2.142  -1.481  1.00  0.00           C  
HETATM   22  C   UNL     1       0.263  -2.099  -2.301  1.00  0.00           C  
HETATM   23  C   UNL     1       1.415  -2.701  -1.829  1.00  0.00           C  
HETATM   24  C   UNL     1       2.574  -2.662  -2.582  1.00  0.00           C  
HETATM   25  C   UNL     1       2.581  -2.020  -3.806  1.00  0.00           C  
HETATM   26  C   UNL     1       1.429  -1.419  -4.279  1.00  0.00           C  
HETATM   27  C   UNL     1       0.269  -1.462  -3.528  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.367  -0.902   0.175  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.389  -0.947   1.387  1.00  0.00           O  
HETATM   30  N   UNL     1      -3.520  -0.830  -0.518  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.745  -0.809   0.161  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.275  -2.039   0.756  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.633  -2.364   0.131  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.177  -3.629   0.744  1.00  0.00           C  
HETATM   35  N   UNL     1      -8.370  -4.112   0.344  1.00  0.00           N  
HETATM   36  O   UNL     1      -6.541  -4.213   1.596  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.437   0.343   0.267  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.498   0.361   0.856  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.893   1.608  -0.345  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.864   2.760  -0.082  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.095   2.510  -0.764  1.00  0.00           O  
HETATM   42  C   UNL     1      -5.264   4.048  -0.586  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.784   4.639  -1.503  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.152   4.538  -0.016  1.00  0.00           O  
HETATM   45  C   UNL     1      -3.574   5.778  -0.502  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.322   6.110   0.313  1.00  0.00           C  
HETATM   47  H   UNL     1       3.551   0.586  -0.219  1.00  0.00           H  
HETATM   48  H   UNL     1       7.333  -0.130   1.944  1.00  0.00           H  
HETATM   49  H   UNL     1       7.354  -1.442   0.742  1.00  0.00           H  
HETATM   50  H   UNL     1       8.407   1.998   1.479  1.00  0.00           H  
HETATM   51  H   UNL     1      10.169   3.174   0.224  1.00  0.00           H  
HETATM   52  H   UNL     1      11.075   2.189  -1.843  1.00  0.00           H  
HETATM   53  H   UNL     1      10.220   0.028  -2.655  1.00  0.00           H  
HETATM   54  H   UNL     1       8.461  -1.151  -1.397  1.00  0.00           H  
HETATM   55  H   UNL     1       2.569  -1.669   1.354  1.00  0.00           H  
HETATM   56  H   UNL     1       1.941   1.225   2.088  1.00  0.00           H  
HETATM   57  H   UNL     1       1.074  -0.191   2.729  1.00  0.00           H  
HETATM   58  H   UNL     1       4.081   0.258   2.981  1.00  0.00           H  
HETATM   59  H   UNL     1       1.839   0.598   5.025  1.00  0.00           H  
HETATM   60  H   UNL     1       3.581   0.742   5.361  1.00  0.00           H  
HETATM   61  H   UNL     1       2.781   1.917   4.289  1.00  0.00           H  
HETATM   62  H   UNL     1       3.367  -2.116   2.986  1.00  0.00           H  
HETATM   63  H   UNL     1       3.923  -1.613   4.601  1.00  0.00           H  
HETATM   64  H   UNL     1       2.181  -1.757   4.264  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.110  -1.388   1.292  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.945  -0.015  -1.146  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.014  -3.053  -0.883  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.865  -2.129  -2.144  1.00  0.00           H  
HETATM   69  H   UNL     1       1.409  -3.202  -0.873  1.00  0.00           H  
HETATM   70  H   UNL     1       3.473  -3.131  -2.213  1.00  0.00           H  
HETATM   71  H   UNL     1       3.487  -1.989  -4.394  1.00  0.00           H  
HETATM   72  H   UNL     1       1.435  -0.918  -5.235  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.630  -0.993  -3.897  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.502  -0.794  -1.487  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.583  -2.860   0.570  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.393  -1.900   1.831  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.325  -1.543   0.318  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.514  -2.502  -0.943  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.879  -3.645  -0.338  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.721  -4.926   0.738  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.775   1.470  -1.419  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.925   1.840   0.101  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.052   2.841   0.988  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.885   2.446  -1.705  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.300   6.584  -0.396  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.305   5.667  -1.552  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.888   7.042  -0.051  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.591   6.222   1.363  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.595   5.305   0.207  1.00  0.00           H  
CONECT    1    2   12   47                                            
CONECT    2    1    3   11   11                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   48   49                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   50                                       
CONECT    7    6    8    8   51                                       
CONECT    8    7    7    9   52                                       
CONECT    9    8   10   10   53                                       
CONECT   10    5    9    9   54                                       
CONECT   11    2    2                                                 
CONECT   12    1   13   17   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   16   58                                       
CONECT   15   14   59   60   61                                       
CONECT   16   14   62   63   64                                       
CONECT   17   12   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   65                                            
CONECT   20   19   21   28   66                                       
CONECT   21   20   22   67   68                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   69                                       
CONECT   24   23   25   25   70                                       
CONECT   25   24   24   26   71                                       
CONECT   26   25   27   27   72                                       
CONECT   27   22   26   26   73                                       
CONECT   28   20   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   74                                            
CONECT   31   30   32   37                                            
CONECT   32   31   33   75   76                                       
CONECT   33   32   34   77   78                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34   79   80                                            
CONECT   36   34   34                                                 
CONECT   37   31   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   81   82                                       
CONECT   40   39   41   42   83                                       
CONECT   41   40   84                                                 
CONECT   42   40   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45                                                 
CONECT   45   44   46   85   86                                       
CONECT   46   45   87   88   89                                       
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
