COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.172  -0.392  -3.915  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.380  -0.480  -2.402  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.134   0.016  -1.657  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.279   1.332  -0.964  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.952   2.020  -0.769  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.048   1.209   0.161  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.430   0.029  -0.471  1.00  0.00           C  
HETATM    8  C   UNL     1       0.949  -0.397   0.006  1.00  0.00           C  
HETATM    9  O   UNL     1       1.980   0.114  -0.879  1.00  0.00           O  
HETATM   10  C   UNL     1       3.178   0.376  -0.332  1.00  0.00           C  
HETATM   11  O   UNL     1       3.358   0.185   0.847  1.00  0.00           O  
HETATM   12  C   UNL     1       4.297   0.909  -1.189  1.00  0.00           C  
HETATM   13  C   UNL     1       5.543   1.120  -0.327  1.00  0.00           C  
HETATM   14  C   UNL     1       6.679   1.662  -1.197  1.00  0.00           C  
HETATM   15  C   UNL     1       7.925   1.873  -0.335  1.00  0.00           C  
HETATM   16  C   UNL     1       9.062   2.414  -1.204  1.00  0.00           C  
HETATM   17  C   UNL     1      10.308   2.625  -0.342  1.00  0.00           C  
HETATM   18  C   UNL     1      11.444   3.166  -1.212  1.00  0.00           C  
HETATM   19  C   UNL     1       0.878  -1.938  -0.070  1.00  0.00           C  
HETATM   20  O   UNL     1       1.230  -2.518   1.214  1.00  0.00           O  
HETATM   21  C   UNL     1       1.812  -3.734   1.197  1.00  0.00           C  
HETATM   22  O   UNL     1       2.019  -4.294   0.139  1.00  0.00           O  
HETATM   23  C   UNL     1       2.195  -4.382   2.459  1.00  0.00           C  
HETATM   24  C   UNL     1       1.939  -3.687   3.771  1.00  0.00           C  
HETATM   25  C   UNL     1       2.770  -5.582   2.443  1.00  0.00           C  
HETATM   26  C   UNL     1       3.026  -6.277   1.130  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.550  -2.278  -0.418  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.073  -3.685  -0.550  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.275  -1.212  -0.590  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.773  -1.147  -0.760  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.335  -2.316  -1.412  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.512  -1.932  -1.964  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.496  -2.623  -2.088  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.878   0.740   1.358  1.00  0.00           C  
HETATM   35  O   UNL     1       0.009   2.076   0.649  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.367   3.161   1.346  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.539   3.378   1.541  1.00  0.00           O  
HETATM   38  C   UNL     1       0.675   4.108   1.885  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.893   1.116   0.334  1.00  0.00           O  
HETATM   40  C   UNL     1      -4.648   2.112   0.825  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.791   3.130   0.191  1.00  0.00           O  
HETATM   42  C   UNL     1      -5.317   1.959   2.167  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.110   3.228   2.488  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.790   3.073   3.850  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.084   0.144  -2.618  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.531   0.271  -2.011  1.00  0.00           O  
HETATM   47  H   UNL     1      -3.320  -1.009  -4.201  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.066  -0.748  -4.427  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.981   0.643  -4.196  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.928   1.976  -1.558  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.462   2.133  -1.736  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.119   3.006  -0.335  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.270   0.325  -1.508  1.00  0.00           H  
HETATM   54  H   UNL     1       1.122  -0.066   1.030  1.00  0.00           H  
HETATM   55  H   UNL     1       4.520   0.195  -1.981  1.00  0.00           H  
HETATM   56  H   UNL     1       3.996   1.859  -1.631  1.00  0.00           H  
HETATM   57  H   UNL     1       5.320   1.835   0.465  1.00  0.00           H  
HETATM   58  H   UNL     1       5.844   0.171   0.115  1.00  0.00           H  
HETATM   59  H   UNL     1       6.903   0.947  -1.989  1.00  0.00           H  
HETATM   60  H   UNL     1       6.378   2.611  -1.638  1.00  0.00           H  
HETATM   61  H   UNL     1       7.702   2.587   0.458  1.00  0.00           H  
HETATM   62  H   UNL     1       8.227   0.923   0.107  1.00  0.00           H  
HETATM   63  H   UNL     1       9.285   1.699  -1.997  1.00  0.00           H  
HETATM   64  H   UNL     1       8.760   3.364  -1.646  1.00  0.00           H  
HETATM   65  H   UNL     1      10.085   3.340   0.450  1.00  0.00           H  
HETATM   66  H   UNL     1      10.609   1.675   0.100  1.00  0.00           H  
HETATM   67  H   UNL     1      11.667   2.452  -2.004  1.00  0.00           H  
HETATM   68  H   UNL     1      11.143   4.116  -1.654  1.00  0.00           H  
HETATM   69  H   UNL     1      12.332   3.317  -0.598  1.00  0.00           H  
HETATM   70  H   UNL     1       1.551  -2.306  -0.844  1.00  0.00           H  
HETATM   71  H   UNL     1       0.951  -3.963   4.141  1.00  0.00           H  
HETATM   72  H   UNL     1       2.695  -3.988   4.496  1.00  0.00           H  
HETATM   73  H   UNL     1       1.984  -2.608   3.626  1.00  0.00           H  
HETATM   74  H   UNL     1       3.052  -6.059   3.370  1.00  0.00           H  
HETATM   75  H   UNL     1       3.499  -7.241   1.316  1.00  0.00           H  
HETATM   76  H   UNL     1       2.081  -6.430   0.609  1.00  0.00           H  
HETATM   77  H   UNL     1       3.684  -5.662   0.516  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.267  -4.392  -0.358  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.875  -3.843   0.170  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.456  -3.836  -1.560  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.246  -1.019   0.213  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.567  -0.041   1.038  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.214   0.347   2.128  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.443   1.581   1.760  1.00  0.00           H  
HETATM   85  H   UNL     1       1.667   3.750   1.611  1.00  0.00           H  
HETATM   86  H   UNL     1       0.516   5.100   1.462  1.00  0.00           H  
HETATM   87  H   UNL     1       0.593   4.158   2.970  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.993   1.105   2.141  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.560   1.800   2.934  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.434   4.082   2.514  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.868   3.387   1.720  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.466   2.218   3.824  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.032   2.914   4.618  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.355   3.977   4.079  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.269   0.782  -3.320  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.353  -0.021  -2.429  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    1    3   32   46                                       
CONECT    3    2    4   30   45                                       
CONECT    4    3    5   39   50                                       
CONECT    5    4    6   51   52                                       
CONECT    6    5    7   34   35                                       
CONECT    7    6    8   29   53                                       
CONECT    8    7    9   19   54                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   55   56                                       
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   59   60                                       
CONECT   15   14   16   61   62                                       
CONECT   16   15   17   63   64                                       
CONECT   17   16   18   65   66                                       
CONECT   18   17   67   68   69                                       
CONECT   19    8   20   27   70                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   25   25                                       
CONECT   24   23   71   72   73                                       
CONECT   25   23   23   26   74                                       
CONECT   26   25   75   76   77                                       
CONECT   27   19   28   29   29                                       
CONECT   28   27   78   79   80                                       
CONECT   29    7   27   27   30                                       
CONECT   30    3   29   31   81                                       
CONECT   31   30   32                                                 
CONECT   32    2   31   33   33                                       
CONECT   33   32   32                                                 
CONECT   34    6   82   83   84                                       
CONECT   35    6   36                                                 
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   85   86   87                                       
CONECT   39    4   40                                                 
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   88   89                                       
CONECT   43   42   44   90   91                                       
CONECT   44   43   92   93   94                                       
CONECT   45    3   95                                                 
CONECT   46    2   96                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
