COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.653   0.450   0.241  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.268  -0.907   0.587  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.791  -0.773   0.664  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.329  -0.299  -0.688  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.714   1.058  -1.035  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.192   0.924  -1.111  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.232   0.325   0.170  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.924  -1.858  -0.422  1.00  0.00           O  
HETATM    9  O   UNL     1      -6.365  -2.041   0.987  1.00  0.00           O  
HETATM   10  O   UNL     1      -7.751  -0.174  -0.617  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.217   1.500  -2.297  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.617   2.192  -1.434  1.00  0.00           O  
HETATM   13  P   UNL     1      -1.230   1.159   1.114  1.00  0.00           P  
HETATM   14  O   UNL     1      -1.513   2.605   0.979  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.439   0.712   2.647  1.00  0.00           O  
HETATM   16  O   UNL     1       0.291   0.867   0.674  1.00  0.00           O  
HETATM   17  P   UNL     1      -7.254  -2.289   2.306  1.00  0.00           P  
HETATM   18  O   UNL     1      -7.624  -3.852   2.417  1.00  0.00           O  
HETATM   19  O   UNL     1      -6.488  -1.877   3.503  1.00  0.00           O  
HETATM   20  O   UNL     1      -8.608  -1.423   2.211  1.00  0.00           O  
HETATM   21  P   UNL     1      -7.039   2.872  -2.482  1.00  0.00           P  
HETATM   22  O   UNL     1      -7.333   3.116  -4.046  1.00  0.00           O  
HETATM   23  O   UNL     1      -8.433   2.774  -1.682  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.242   4.000  -1.948  1.00  0.00           O  
HETATM   25  C   UNL     1       3.533  -1.133   0.040  1.00  0.00           C  
HETATM   26  C   UNL     1       6.239   2.043   0.789  1.00  0.00           C  
HETATM   27  C   UNL     1       1.412   1.539   1.252  1.00  0.00           C  
HETATM   28  C   UNL     1       3.759  -2.598   0.313  1.00  0.00           C  
HETATM   29  C   UNL     1       7.532   1.674   0.108  1.00  0.00           C  
HETATM   30  C   UNL     1       2.702   1.027   0.609  1.00  0.00           C  
HETATM   31  C   UNL     1       4.518  -3.224  -0.859  1.00  0.00           C  
HETATM   32  C   UNL     1       8.670   2.517   0.687  1.00  0.00           C  
HETATM   33  C   UNL     1       3.890   1.832   1.137  1.00  0.00           C  
HETATM   34  C   UNL     1       4.747  -4.711  -0.581  1.00  0.00           C  
HETATM   35  C   UNL     1       9.983   2.144  -0.004  1.00  0.00           C  
HETATM   36  C   UNL     1       5.506  -5.337  -1.753  1.00  0.00           C  
HETATM   37  C   UNL     1      11.122   2.986   0.575  1.00  0.00           C  
HETATM   38  C   UNL     1       5.735  -6.824  -1.476  1.00  0.00           C  
HETATM   39  C   UNL     1      12.435   2.613  -0.116  1.00  0.00           C  
HETATM   40  C   UNL     1       6.494  -7.450  -2.648  1.00  0.00           C  
HETATM   41  C   UNL     1      13.573   3.455   0.462  1.00  0.00           C  
HETATM   42  C   UNL     1       6.723  -8.938  -2.371  1.00  0.00           C  
HETATM   43  C   UNL     1      14.886   3.082  -0.228  1.00  0.00           C  
HETATM   44  O   UNL     1       3.938  -0.641  -0.986  1.00  0.00           O  
HETATM   45  O   UNL     1       6.228   2.892   1.648  1.00  0.00           O  
HETATM   46  O   UNL     1       2.883  -0.376   0.938  1.00  0.00           O  
HETATM   47  O   UNL     1       5.098   1.427   0.440  1.00  0.00           O  
HETATM   48  H   UNL     1      -3.916   1.176   1.011  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.885  -1.245   1.550  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.053  -0.048   1.434  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.066  -1.025  -1.458  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.977   1.783  -0.265  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.929   0.199  -1.881  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.281  -2.743  -0.267  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.161   0.123  -1.441  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.915   2.553  -2.281  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.270  -0.226   2.809  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.160  -4.076   3.191  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.162  -1.641   1.449  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.826   3.926  -4.232  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.007   2.056  -1.980  1.00  0.00           H  
HETATM   62  H   UNL     1       1.321   2.612   1.080  1.00  0.00           H  
HETATM   63  H   UNL     1       1.438   1.344   2.324  1.00  0.00           H  
HETATM   64  H   UNL     1       4.343  -2.712   1.227  1.00  0.00           H  
HETATM   65  H   UNL     1       2.798  -3.098   0.432  1.00  0.00           H  
HETATM   66  H   UNL     1       7.742   0.618   0.274  1.00  0.00           H  
HETATM   67  H   UNL     1       7.447   1.864  -0.961  1.00  0.00           H  
HETATM   68  H   UNL     1       2.638   1.141  -0.474  1.00  0.00           H  
HETATM   69  H   UNL     1       3.934  -3.110  -1.772  1.00  0.00           H  
HETATM   70  H   UNL     1       5.479  -2.724  -0.977  1.00  0.00           H  
HETATM   71  H   UNL     1       8.460   3.574   0.521  1.00  0.00           H  
HETATM   72  H   UNL     1       8.756   2.328   1.757  1.00  0.00           H  
HETATM   73  H   UNL     1       3.713   2.894   0.969  1.00  0.00           H  
HETATM   74  H   UNL     1       4.008   1.648   2.205  1.00  0.00           H  
HETATM   75  H   UNL     1       5.331  -4.825   0.332  1.00  0.00           H  
HETATM   76  H   UNL     1       3.786  -5.211  -0.463  1.00  0.00           H  
HETATM   77  H   UNL     1      10.193   1.087   0.162  1.00  0.00           H  
HETATM   78  H   UNL     1       9.898   2.333  -1.074  1.00  0.00           H  
HETATM   79  H   UNL     1       4.922  -5.223  -2.667  1.00  0.00           H  
HETATM   80  H   UNL     1       6.468  -4.838  -1.872  1.00  0.00           H  
HETATM   81  H   UNL     1      10.912   4.043   0.409  1.00  0.00           H  
HETATM   82  H   UNL     1      11.207   2.797   1.645  1.00  0.00           H  
HETATM   83  H   UNL     1       6.319  -6.938  -0.563  1.00  0.00           H  
HETATM   84  H   UNL     1       4.774  -7.324  -1.358  1.00  0.00           H  
HETATM   85  H   UNL     1      12.645   1.556   0.050  1.00  0.00           H  
HETATM   86  H   UNL     1      12.350   2.802  -1.186  1.00  0.00           H  
HETATM   87  H   UNL     1       5.910  -7.337  -3.561  1.00  0.00           H  
HETATM   88  H   UNL     1       7.456  -6.951  -2.767  1.00  0.00           H  
HETATM   89  H   UNL     1      13.363   4.512   0.296  1.00  0.00           H  
HETATM   90  H   UNL     1      13.659   3.266   1.532  1.00  0.00           H  
HETATM   91  H   UNL     1       7.264  -9.384  -3.206  1.00  0.00           H  
HETATM   92  H   UNL     1       7.307  -9.051  -1.458  1.00  0.00           H  
HETATM   93  H   UNL     1       5.762  -9.437  -2.252  1.00  0.00           H  
HETATM   94  H   UNL     1      15.697   3.682   0.184  1.00  0.00           H  
HETATM   95  H   UNL     1      15.096   2.025  -0.062  1.00  0.00           H  
HETATM   96  H   UNL     1      14.801   3.271  -1.298  1.00  0.00           H  
CONECT    1    7    2    6   48                                       
CONECT    2    1    8    3   49                                       
CONECT    3    2    9    4   50                                       
CONECT    4    3    5   10   51                                       
CONECT    5    6    4   11   52                                       
CONECT    6    1   12    5   53                                       
CONECT    7   13    1                                                 
CONECT    8    2   54                                                 
CONECT    9   17    3                                                 
CONECT   10    4   55                                                 
CONECT   11    5   21                                                 
CONECT   12    6   56                                                 
CONECT   13   14   14   15   16                                       
CONECT   13    7                                                      
CONECT   14   13   13                                                 
CONECT   15   13   57                                                 
CONECT   16   27   13                                                 
CONECT   17   19   19   18   20                                       
CONECT   17    9                                                      
CONECT   18   17   58                                                 
CONECT   19   17   17                                                 
CONECT   20   17   59                                                 
CONECT   21   11   24   24   22                                       
CONECT   21   23                                                      
CONECT   22   21   60                                                 
CONECT   23   21   61                                                 
CONECT   24   21   21                                                 
CONECT   25   28   44   44   46                                       
CONECT   26   29   47   45   45                                       
CONECT   27   30   16   62   63                                       
CONECT   28   31   25   64   65                                       
CONECT   29   32   26   66   67                                       
CONECT   30   46   27   33   68                                       
CONECT   31   34   28   69   70                                       
CONECT   32   35   29   71   72                                       
CONECT   33   47   30   73   74                                       
CONECT   34   36   31   75   76                                       
CONECT   35   37   32   77   78                                       
CONECT   36   38   34   79   80                                       
CONECT   37   39   35   81   82                                       
CONECT   38   40   36   83   84                                       
CONECT   39   41   37   85   86                                       
CONECT   40   42   38   87   88                                       
CONECT   41   43   39   89   90                                       
CONECT   42   40   91   92   93                                       
CONECT   43   41   94   95   96                                       
CONECT   44   25   25                                                 
CONECT   45   26   26                                                 
CONECT   46   25   30                                                 
CONECT   47   26   33                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
