COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.288  -6.783  -0.495  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.695  -5.487  -0.449  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.034  -4.907   0.765  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.446  -3.590   0.809  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.767  -4.739  -1.616  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.181  -3.422  -1.567  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.523  -2.849  -0.356  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.973  -1.411  -0.305  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.973  -1.261   0.705  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.308  -1.460   0.235  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.779  -0.514   0.022  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.208   0.953  -0.049  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.051   1.846   0.404  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.518   3.302   0.449  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.571   3.467   1.546  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.119   4.895   1.517  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.172   5.060   2.614  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.889   1.713  -0.582  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.333   2.200  -1.963  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.710   2.559  -0.097  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.283   2.122   1.329  1.00  0.00           C  
HETATM   22  C   UNL     1       0.511   2.312  -0.970  1.00  0.00           C  
HETATM   23  C   UNL     1       0.514   0.855  -1.435  1.00  0.00           C  
HETATM   24  C   UNL     1       0.737   3.217  -2.159  1.00  0.00           C  
HETATM   25  C   UNL     1       1.962   2.683  -2.921  1.00  0.00           C  
HETATM   26  C   UNL     1       3.210   2.654  -2.040  1.00  0.00           C  
HETATM   27  C   UNL     1       1.699   2.522   0.013  1.00  0.00           C  
HETATM   28  C   UNL     1       1.219   1.730   1.235  1.00  0.00           C  
HETATM   29  C   UNL     1       2.908   1.995  -0.701  1.00  0.00           C  
HETATM   30  C   UNL     1       3.662   1.022  -0.201  1.00  0.00           C  
HETATM   31  C   UNL     1       4.838   0.546  -0.946  1.00  0.00           C  
HETATM   32  C   UNL     1       5.530  -0.496  -0.499  1.00  0.00           C  
HETATM   33  C   UNL     1       6.818  -0.911  -1.174  1.00  0.00           C  
HETATM   34  C   UNL     1       5.049  -1.283   0.698  1.00  0.00           C  
HETATM   35  C   UNL     1       6.169  -1.315   1.746  1.00  0.00           C  
HETATM   36  O   UNL     1       5.838  -2.251   2.774  1.00  0.00           O  
HETATM   37  C   UNL     1       7.453  -1.734   1.067  1.00  0.00           C  
HETATM   38  C   UNL     1       8.136  -2.761   1.508  1.00  0.00           C  
HETATM   39  C   UNL     1       7.934  -0.944  -0.122  1.00  0.00           C  
HETATM   40  O   UNL     1       8.255   0.388   0.285  1.00  0.00           O  
HETATM   41  H   UNL     1      -4.008  -7.417  -0.618  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.975  -5.486   1.675  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.710  -3.138   1.754  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.500  -5.187  -2.562  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.237  -2.840  -2.475  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.388  -1.126  -1.272  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.530  -0.734  -0.547  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.406  -2.469  -0.166  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.007  -1.329   1.061  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.419  -0.739   1.026  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.981  -0.694  -0.698  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.480   1.203  -1.074  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.067   1.112   0.604  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.722   1.539   1.397  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.667   3.950   0.661  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.950   3.575  -0.514  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.386   2.762   1.376  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.118   3.271   2.517  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.304   5.600   1.686  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.572   5.091   0.546  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.562   6.078   2.594  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.986   4.355   2.445  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.718   4.864   3.586  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.584   0.668  -0.646  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.637   3.245  -1.899  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.504   2.105  -2.665  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.173   1.597  -2.308  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.974   3.616  -0.106  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.412   2.949   2.027  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.875   1.265   1.650  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.314   0.693  -2.126  1.00  0.00           H  
HETATM   72  H   UNL     1       1.456   0.636  -1.939  1.00  0.00           H  
HETATM   73  H   UNL     1       0.401   0.198  -0.573  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.138   3.200  -2.808  1.00  0.00           H  
HETATM   75  H   UNL     1       0.927   4.235  -1.819  1.00  0.00           H  
HETATM   76  H   UNL     1       1.751   1.673  -3.270  1.00  0.00           H  
HETATM   77  H   UNL     1       2.152   3.324  -3.782  1.00  0.00           H  
HETATM   78  H   UNL     1       3.995   2.094  -2.547  1.00  0.00           H  
HETATM   79  H   UNL     1       3.551   3.675  -1.867  1.00  0.00           H  
HETATM   80  H   UNL     1       1.817   3.577   0.260  1.00  0.00           H  
HETATM   81  H   UNL     1       1.757   2.040   2.131  1.00  0.00           H  
HETATM   82  H   UNL     1       1.328   0.659   1.068  1.00  0.00           H  
HETATM   83  H   UNL     1       3.412   0.581   0.753  1.00  0.00           H  
HETATM   84  H   UNL     1       5.137   1.043  -1.857  1.00  0.00           H  
HETATM   85  H   UNL     1       6.698  -1.902  -1.612  1.00  0.00           H  
HETATM   86  H   UNL     1       7.069  -0.194  -1.955  1.00  0.00           H  
HETATM   87  H   UNL     1       4.166  -0.803   1.121  1.00  0.00           H  
HETATM   88  H   UNL     1       4.801  -2.300   0.393  1.00  0.00           H  
HETATM   89  H   UNL     1       6.291  -0.323   2.181  1.00  0.00           H  
HETATM   90  H   UNL     1       6.504  -2.322   3.471  1.00  0.00           H  
HETATM   91  H   UNL     1       7.783  -3.317   2.365  1.00  0.00           H  
HETATM   92  H   UNL     1       9.052  -3.052   1.016  1.00  0.00           H  
HETATM   93  H   UNL     1       8.818  -1.421  -0.545  1.00  0.00           H  
HETATM   94  H   UNL     1       8.948   0.437   0.958  1.00  0.00           H  
CONECT    1    2   41                                                 
CONECT    2    5    5    3    1                                       
CONECT    3    4    4    2   42                                       
CONECT    4    7    3    3   43                                       
CONECT    5    6    2    2   44                                       
CONECT    6    7    7    5   45                                       
CONECT    7    8    6    6    4                                       
CONECT    8    9   11    7   46                                       
CONECT    9   10    8                                                 
CONECT   10    9   47   48   49                                       
CONECT   11    8   12   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   18   12   14   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   59   60                                       
CONECT   17   16   61   62   63                                       
CONECT   18   20   13   19   64                                       
CONECT   19   18   65   66   67                                       
CONECT   20   21   22   18   68                                       
CONECT   21   28   20   69   70                                       
CONECT   22   23   27   20   24                                       
CONECT   23   22   71   72   73                                       
CONECT   24   22   25   74   75                                       
CONECT   25   26   24   76   77                                       
CONECT   26   29   25   78   79                                       
CONECT   27   29   28   22   80                                       
CONECT   28   27   21   81   82                                       
CONECT   29   30   30   27   26                                       
CONECT   30   31   29   29   83                                       
CONECT   31   32   32   30   84                                       
CONECT   32   34   33   31   31                                       
CONECT   33   39   32   85   86                                       
CONECT   34   35   32   87   88                                       
CONECT   35   36   37   34   89                                       
CONECT   36   35   90                                                 
CONECT   37   38   38   35   39                                       
CONECT   38   37   37   91   92                                       
CONECT   39   37   40   33   93                                       
CONECT   40   39   94                                                 
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
