COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.943   0.049  -5.745  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.503  -0.134  -3.394  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.057  -1.075   2.714  1.00  0.00           O  
HETATM    4  O   UNL     1       1.000  -2.339   6.349  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.890   0.069   3.079  1.00  0.00           C  
HETATM    6  C   UNL     1       0.877  -0.722   4.557  1.00  0.00           C  
HETATM    7  C   UNL     1       0.197  -1.290   5.804  1.00  0.00           C  
HETATM    8  C   UNL     1       0.267  -0.106  -6.627  1.00  0.00           C  
HETATM    9  C   UNL     1       0.562  -1.337  -7.185  1.00  0.00           C  
HETATM   10  C   UNL     1       2.490  -0.393  -8.246  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.161  -0.380  -2.113  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.171  -0.293  -1.056  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.837  -1.658  -0.872  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.513   0.122   0.234  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.352  -0.159   0.440  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.214   0.808   1.158  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.586   1.314   0.992  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.737   1.174   2.504  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.024   1.361   3.346  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.982   2.009   2.312  1.00  0.00           C  
HETATM   21  N   UNL     1       0.053   0.352   3.998  1.00  0.00           N  
HETATM   22  C   UNL     1       2.252  -0.168   4.934  1.00  0.00           C  
HETATM   23  C   UNL     1       2.922   0.391   3.705  1.00  0.00           C  
HETATM   24  C   UNL     1       2.738   1.717   3.361  1.00  0.00           C  
HETATM   25  C   UNL     1       3.725  -0.420   2.926  1.00  0.00           C  
HETATM   26  C   UNL     1       3.353   2.230   2.234  1.00  0.00           C  
HETATM   27  C   UNL     1       4.337   0.091   1.797  1.00  0.00           C  
HETATM   28  C   UNL     1       4.152   1.417   1.451  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.177  -1.845   5.427  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.575  -0.215  -4.366  1.00  0.00           O  
HETATM   31  C   UNL     1       1.081   0.981  -6.884  1.00  0.00           C  
HETATM   32  C   UNL     1       1.674  -1.480  -7.994  1.00  0.00           C  
HETATM   33  C   UNL     1       2.195   0.836  -7.689  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.649   0.159  -3.671  1.00  0.00           O  
HETATM   35  H   UNL     1      -1.714  -0.655  -6.057  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.326   1.066  -5.830  1.00  0.00           H  
HETATM   37  H   UNL     1       1.080  -3.016   5.663  1.00  0.00           H  
HETATM   38  H   UNL     1       0.995  -1.513   3.816  1.00  0.00           H  
HETATM   39  H   UNL     1       0.079  -0.500   6.545  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.074  -2.186  -6.988  1.00  0.00           H  
HETATM   41  H   UNL     1       3.359  -0.505  -8.878  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.247  -0.615  -1.892  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.925   0.444  -1.333  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.105  -2.371  -0.492  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.659  -1.568  -0.161  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.221  -2.007  -1.830  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.266   0.487   0.790  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.618   2.032   0.171  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.171   2.105   2.466  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.410   0.401   3.688  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.846   2.031   4.187  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.021   1.797   2.563  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.811   3.084   2.248  1.00  0.00           H  
HETATM   54  H   UNL     1       0.187   1.267   4.290  1.00  0.00           H  
HETATM   55  H   UNL     1       2.135   0.622   5.675  1.00  0.00           H  
HETATM   56  H   UNL     1       2.865  -0.967   5.350  1.00  0.00           H  
HETATM   57  H   UNL     1       2.114   2.352   3.972  1.00  0.00           H  
HETATM   58  H   UNL     1       3.870  -1.456   3.195  1.00  0.00           H  
HETATM   59  H   UNL     1       3.208   3.266   1.964  1.00  0.00           H  
HETATM   60  H   UNL     1       4.961  -0.543   1.185  1.00  0.00           H  
HETATM   61  H   UNL     1       4.631   1.818   0.571  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.662  -2.250   6.316  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.790  -1.045   5.011  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.060  -2.635   4.686  1.00  0.00           H  
HETATM   65  H   UNL     1       0.850   1.942  -6.449  1.00  0.00           H  
HETATM   66  H   UNL     1       1.905  -2.441  -8.429  1.00  0.00           H  
HETATM   67  H   UNL     1       2.832   1.685  -7.886  1.00  0.00           H  
CONECT    1    8   30   35   36                                       
CONECT    2   11   30   34   34                                       
CONECT    3    5    5                                                 
CONECT    4    7   37                                                 
CONECT    5    3    3   18   21                                       
CONECT    6    7   21   22   38                                       
CONECT    7    4    6   29   39                                       
CONECT    8    1    9    9   31                                       
CONECT    9    8    8   32   40                                       
CONECT   10   32   32   33   41                                       
CONECT   11    2   12   42                                            
CONECT   12   11   13   14   43                                       
CONECT   13   12   44   45   46                                       
CONECT   14   12   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   20   47   48                                       
CONECT   18    5   16   19   49                                       
CONECT   19   18   20   50   51                                       
CONECT   20   17   19   52   53                                       
CONECT   21    5    6   54                                            
CONECT   22    6   23   55   56                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   26   57                                       
CONECT   25   23   27   27   58                                       
CONECT   26   24   28   28   59                                       
CONECT   27   25   25   28   60                                       
CONECT   28   26   26   27   61                                       
CONECT   29    7   62   63   64                                       
CONECT   30    1    2                                                 
CONECT   31    8   33   33   65                                       
CONECT   32    9   10   10   66                                       
CONECT   33   10   31   31   67                                       
CONECT   34    2    2                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
