COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.231  -2.777  -0.530  1.00  0.00           O  
HETATM    2  C   UNL     1       0.170  -1.666  -0.041  1.00  0.00           C  
HETATM    3  C   UNL     1       1.245  -0.684  -0.299  1.00  0.00           C  
HETATM    4  C   UNL     1       1.126   0.621   0.175  1.00  0.00           C  
HETATM    5  C   UNL     1       2.382  -1.065  -1.013  1.00  0.00           C  
HETATM    6  C   UNL     1       3.391  -0.144  -1.256  1.00  0.00           C  
HETATM    7  N   UNL     1       4.528  -0.528  -1.971  1.00  0.00           N  
HETATM    8  C   UNL     1       5.309  -1.591  -1.541  1.00  0.00           C  
HETATM    9  C   UNL     1       5.945  -2.337  -2.461  1.00  0.00           C  
HETATM   10  C   UNL     1       5.792  -2.010  -3.884  1.00  0.00           C  
HETATM   11  C   UNL     1       5.307  -0.823  -4.247  1.00  0.00           C  
HETATM   12  C   UNL     1       4.918   0.181  -3.197  1.00  0.00           C  
HETATM   13  C   UNL     1       3.273   1.158  -0.791  1.00  0.00           C  
HETATM   14  C   UNL     1       2.141   1.543  -0.071  1.00  0.00           C  
HETATM   15  C   UNL     1       2.018   2.929   0.429  1.00  0.00           C  
HETATM   16  N   UNL     1       3.062   3.519   1.044  1.00  0.00           N  
HETATM   17  C   UNL     1       4.361   2.842   1.091  1.00  0.00           C  
HETATM   18  C   UNL     1       5.263   3.392  -0.016  1.00  0.00           C  
HETATM   19  C   UNL     1       6.560   2.582  -0.066  1.00  0.00           C  
HETATM   20  C   UNL     1       2.899   4.835   1.665  1.00  0.00           C  
HETATM   21  C   UNL     1       2.468   4.662   3.123  1.00  0.00           C  
HETATM   22  C   UNL     1       2.298   6.037   3.771  1.00  0.00           C  
HETATM   23  O   UNL     1       0.975   3.537   0.286  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.881  -1.328   0.733  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.887  -2.333   1.083  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.528  -2.969   2.427  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.234  -3.730   2.293  1.00  0.00           C  
HETATM   28  C   UNL     1       0.970  -3.094   2.534  1.00  0.00           C  
HETATM   29  C   UNL     1       2.157  -3.792   2.411  1.00  0.00           C  
HETATM   30  C   UNL     1       2.140  -5.126   2.047  1.00  0.00           C  
HETATM   31  C   UNL     1       0.936  -5.761   1.807  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.251  -5.065   1.935  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.260  -1.666   1.185  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.237  -0.686   2.225  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.599  -0.990  -0.145  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.918  -0.350  -0.047  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.278   0.310  -1.309  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.235   1.381  -1.640  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.318  -0.726  -2.433  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.633   0.955  -1.170  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.283   0.864  -0.026  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.471   1.412   0.141  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.081   2.106  -0.888  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.427   2.222  -2.105  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.177   1.638  -2.241  1.00  0.00           C  
HETATM   46  H   UNL     1       0.249   0.917   0.731  1.00  0.00           H  
HETATM   47  H   UNL     1       2.477  -2.078  -1.376  1.00  0.00           H  
HETATM   48  H   UNL     1       5.404  -1.814  -0.489  1.00  0.00           H  
HETATM   49  H   UNL     1       6.563  -3.168  -2.156  1.00  0.00           H  
HETATM   50  H   UNL     1       6.073  -2.731  -4.637  1.00  0.00           H  
HETATM   51  H   UNL     1       5.189  -0.584  -5.294  1.00  0.00           H  
HETATM   52  H   UNL     1       4.079   0.777  -3.555  1.00  0.00           H  
HETATM   53  H   UNL     1       5.767   0.832  -2.987  1.00  0.00           H  
HETATM   54  H   UNL     1       4.060   1.873  -0.982  1.00  0.00           H  
HETATM   55  H   UNL     1       4.828   3.019   2.061  1.00  0.00           H  
HETATM   56  H   UNL     1       4.219   1.772   0.946  1.00  0.00           H  
HETATM   57  H   UNL     1       4.749   3.315  -0.974  1.00  0.00           H  
HETATM   58  H   UNL     1       5.495   4.437   0.189  1.00  0.00           H  
HETATM   59  H   UNL     1       7.030   2.588   0.918  1.00  0.00           H  
HETATM   60  H   UNL     1       6.337   1.556  -0.356  1.00  0.00           H  
HETATM   61  H   UNL     1       7.238   3.027  -0.795  1.00  0.00           H  
HETATM   62  H   UNL     1       3.846   5.375   1.628  1.00  0.00           H  
HETATM   63  H   UNL     1       2.138   5.400   1.126  1.00  0.00           H  
HETATM   64  H   UNL     1       1.522   4.123   3.160  1.00  0.00           H  
HETATM   65  H   UNL     1       3.229   4.098   3.662  1.00  0.00           H  
HETATM   66  H   UNL     1       3.244   6.576   3.734  1.00  0.00           H  
HETATM   67  H   UNL     1       1.537   6.601   3.232  1.00  0.00           H  
HETATM   68  H   UNL     1       1.991   5.914   4.810  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.970  -0.418   1.058  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.914  -3.104   0.312  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.413  -2.188   3.179  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.321  -3.652   2.730  1.00  0.00           H  
HETATM   73  H   UNL     1       0.984  -2.052   2.818  1.00  0.00           H  
HETATM   74  H   UNL     1       3.098  -3.296   2.598  1.00  0.00           H  
HETATM   75  H   UNL     1       3.067  -5.671   1.951  1.00  0.00           H  
HETATM   76  H   UNL     1       0.923  -6.803   1.523  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.192  -5.562   1.751  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.014  -2.420   1.413  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.647   0.059   2.050  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.845  -0.237  -0.373  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.617  -1.738  -0.938  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.947   0.301   0.723  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.255   0.915  -1.740  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.502   1.871  -2.576  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.206   2.119  -0.838  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.061  -1.489  -2.198  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.585  -0.236  -3.370  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.338  -1.192  -2.534  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.974   1.317   1.092  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.054   2.552  -0.745  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.879   2.759  -2.926  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.637   1.712  -3.173  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   24    1    1    3                                       
CONECT    3    2    5    5    4                                       
CONECT    4    3   14   14   46                                       
CONECT    5    3    3    6   47                                       
CONECT    6    5    7   13   13                                       
CONECT    7    8    6   12                                            
CONECT    8    9    9    7   48                                       
CONECT    9    8    8   10   49                                       
CONECT   10    9   11   11   50                                       
CONECT   11   10   10   12   51                                       
CONECT   12    7   11   52   53                                       
CONECT   13    6    6   14   54                                       
CONECT   14    4    4   13   15                                       
CONECT   15   14   23   23   16                                       
CONECT   16   15   20   17                                            
CONECT   17   16   18   55   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   18   59   60   61                                       
CONECT   20   16   21   62   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   66   67   68                                       
CONECT   23   15   15                                                 
CONECT   24   25    2   69                                            
CONECT   25   33   26   24   70                                       
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   73                                       
CONECT   29   28   30   30   74                                       
CONECT   30   29   29   31   75                                       
CONECT   31   32   32   30   76                                       
CONECT   32   27   31   31   77                                       
CONECT   33   34   35   25   78                                       
CONECT   34   33   79                                                 
CONECT   35   36   33   80   81                                       
CONECT   36   37   35   82                                            
CONECT   37   39   38   36   40                                       
CONECT   38   37   83   84   85                                       
CONECT   39   37   86   87   88                                       
CONECT   40   37   45   45   41                                       
CONECT   41   40   42   42                                            
CONECT   42   41   41   43   89                                       
CONECT   43   44   44   42   90                                       
CONECT   44   45   43   43   91                                       
CONECT   45   40   40   44   92                                       
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
