COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.455   2.933   0.197  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.566   3.927  -0.078  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.836   3.057  -0.229  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.409   1.786   0.540  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.937   0.534  -0.163  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.694  -2.524   0.325  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.132  -2.812   0.174  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.836  -1.720   0.448  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.835  -0.647   0.805  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.631  -3.506   0.116  1.00  0.00           C  
HETATM   11  C   UNL     1       0.663  -3.155   0.143  1.00  0.00           C  
HETATM   12  C   UNL     1       1.805  -4.132  -0.039  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.083   2.531  -2.283  1.00  0.00           O  
HETATM   14  C   UNL     1       3.095  -3.329   0.197  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.346   4.578   1.430  1.00  0.00           O  
HETATM   16  C   UNL     1       2.590  -1.931   0.621  1.00  0.00           C  
HETATM   17  C   UNL     1       3.380  -0.876  -0.090  1.00  0.00           C  
HETATM   18  C   UNL     1       3.020   0.375  -0.215  1.00  0.00           C  
HETATM   19  C   UNL     1       3.908   1.440  -0.863  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.206  -5.355  -2.323  1.00  0.00           O  
HETATM   21  C   UNL     1       3.356   2.735  -0.219  1.00  0.00           C  
HETATM   22  O   UNL     1      -8.122  -1.820   2.898  1.00  0.00           O  
HETATM   23  C   UNL     1       1.899   2.358   0.031  1.00  0.00           C  
HETATM   24  O   UNL     1       1.939  -2.428  -2.067  1.00  0.00           O  
HETATM   25  O   UNL     1       7.287  -3.356   2.844  1.00  0.00           O  
HETATM   26  O   UNL     1       4.547   2.776  -4.301  1.00  0.00           O  
HETATM   27  O   UNL     1       5.109   3.911   3.377  1.00  0.00           O  
HETATM   28  C   UNL     1       0.910   3.257   0.090  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.940   1.782   0.529  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.513  -1.279   0.685  1.00  0.00           N  
HETATM   31  O   UNL     1      -0.982   4.168  -3.765  1.00  0.00           O  
HETATM   32  N   UNL     1       1.160  -1.889   0.315  1.00  0.00           N  
HETATM   33  O   UNL     1      -7.707   2.999   0.695  1.00  0.00           O  
HETATM   34  N   UNL     1       1.825   0.992   0.147  1.00  0.00           N  
HETATM   35  O   UNL     1      -3.308  -3.338  -2.407  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.961  -1.410   0.733  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.287   4.694  -1.372  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.110   3.718  -2.506  1.00  0.00           C  
HETATM   39  O   UNL     1       1.764  -3.827  -3.769  1.00  0.00           O  
HETATM   40  O   UNL     1       5.634  -4.787   3.167  1.00  0.00           O  
HETATM   41  O   UNL     1       5.156   3.324  -2.249  1.00  0.00           O  
HETATM   42  O   UNL     1       4.035   5.831   3.594  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.044   3.724   0.433  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.300   2.896   0.154  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.489   3.553   0.807  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.335  -1.580   0.410  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.905  -1.804   1.813  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.404  -1.664   1.775  1.00  0.00           C  
HETATM   49  C   UNL     1       3.924  -3.963   1.316  1.00  0.00           C  
HETATM   50  C   UNL     1       5.256  -3.222   1.446  1.00  0.00           C  
HETATM   51  C   UNL     1       6.072  -3.846   2.549  1.00  0.00           C  
HETATM   52  C   UNL     1       4.075   3.043   1.096  1.00  0.00           C  
HETATM   53  C   UNL     1       3.593   4.390   1.638  1.00  0.00           C  
HETATM   54  C   UNL     1       4.301   4.693   2.933  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.714  -4.142  -0.230  1.00  0.00           C  
HETATM   56  C   UNL     1      -3.727  -4.248  -1.733  1.00  0.00           C  
HETATM   57  C   UNL     1       1.790  -4.700  -1.459  1.00  0.00           C  
HETATM   58  C   UNL     1       1.837  -3.569  -2.454  1.00  0.00           C  
HETATM   59  C   UNL     1       3.722   1.459  -2.382  1.00  0.00           C  
HETATM   60  C   UNL     1       4.528   2.588  -2.972  1.00  0.00           C  
HETATM   61  C   UNL     1       1.695  -5.266   0.982  1.00  0.00           C  
HETATM   62  C   UNL     1       5.378   1.227  -0.494  1.00  0.00           C  
HETATM   63  H   UNL     1      -1.675   4.616   0.759  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.037   2.834  -1.277  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.778   1.834   1.560  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.978   0.685  -0.447  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.338   0.333  -1.051  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.996  -0.308   1.829  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.896  -4.546  -0.045  1.00  0.00           H  
HETATM   70  H   UNL     1       3.678  -3.263  -0.721  1.00  0.00           H  
HETATM   71  H   UNL     1       2.731  -1.828   1.704  1.00  0.00           H  
HETATM   72  H   UNL     1       4.335  -1.166  -0.548  1.00  0.00           H  
HETATM   73  H   UNL     1       3.429   3.576  -0.909  1.00  0.00           H  
HETATM   74  H   UNL     1       1.180   4.315   0.076  1.00  0.00           H  
HETATM   75  H   UNL     1       0.636  -1.076   0.242  1.00  0.00           H  
HETATM   76  H   UNL     1       1.036   0.514   0.447  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.126   5.356  -1.589  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.379   5.285  -1.255  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.880   3.785   1.509  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.172   4.727   0.027  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.463   2.835  -0.922  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.171   1.893   0.560  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.598  -0.579   0.068  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.753  -2.319  -0.274  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.642  -2.805   2.155  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.487  -1.065   2.497  1.00  0.00           H  
HETATM   87  H   UNL     1       3.377  -3.895   2.257  1.00  0.00           H  
HETATM   88  H   UNL     1       4.112  -5.010   1.081  1.00  0.00           H  
HETATM   89  H   UNL     1       5.803  -3.290   0.506  1.00  0.00           H  
HETATM   90  H   UNL     1       5.067  -2.174   1.682  1.00  0.00           H  
HETATM   91  H   UNL     1       3.856   2.260   1.822  1.00  0.00           H  
HETATM   92  H   UNL     1       5.150   3.086   0.921  1.00  0.00           H  
HETATM   93  H   UNL     1       3.812   5.173   0.912  1.00  0.00           H  
HETATM   94  H   UNL     1       2.518   4.347   1.813  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.106  -4.945   0.186  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.733  -4.223   0.149  1.00  0.00           H  
HETATM   97  H   UNL     1       2.658  -5.344  -1.602  1.00  0.00           H  
HETATM   98  H   UNL     1       0.879  -5.279  -1.610  1.00  0.00           H  
HETATM   99  H   UNL     1       4.061   0.512  -2.802  1.00  0.00           H  
HETATM  100  H   UNL     1       2.668   1.604  -2.616  1.00  0.00           H  
HETATM  101  H   UNL     1       0.762  -5.807   0.826  1.00  0.00           H  
HETATM  102  H   UNL     1       2.536  -5.948   0.859  1.00  0.00           H  
HETATM  103  H   UNL     1       1.710  -4.850   1.990  1.00  0.00           H  
HETATM  104  H   UNL     1       5.708   0.255  -0.863  1.00  0.00           H  
HETATM  105  H   UNL     1       5.984   2.012  -0.947  1.00  0.00           H  
HETATM  106  H   UNL     1       5.489   1.261   0.590  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.194  -5.377  -3.290  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.081  -1.721   2.824  1.00  0.00           H  
HETATM  109  H   UNL     1       7.773  -3.789   3.559  1.00  0.00           H  
HETATM  110  H   UNL     1       5.077   3.512  -4.633  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.871   3.504  -4.459  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.439   3.457   1.130  1.00  0.00           H  
HETATM  113  H   UNL     1       1.797  -3.069  -4.368  1.00  0.00           H  
HETATM  114  H   UNL     1       4.514   5.981   4.420  1.00  0.00           H  
CONECT    1    2   28   29   29                                       
CONECT    2    1    3   37   63                                       
CONECT    3    2    4   43   64                                       
CONECT    4    3    5   29   65                                       
CONECT    5    4    9   66   67                                       
CONECT    6    7   10   30   30                                       
CONECT    7    6    8    8   55                                       
CONECT    8    7    7    9   46                                       
CONECT    9    5    8   30   68                                       
CONECT   10    6   11   11   69                                       
CONECT   11   10   10   12   32                                       
CONECT   12   11   14   57   61                                       
CONECT   13   38   38                                                 
CONECT   14   12   16   49   70                                       
CONECT   15   45   45                                                 
CONECT   16   14   17   32   71                                       
CONECT   17   16   18   18   72                                       
CONECT   18   17   17   19   34                                       
CONECT   19   18   21   59   62                                       
CONECT   20   56  107                                                 
CONECT   21   19   23   52   73                                       
CONECT   22   48  108                                                 
CONECT   23   21   28   28   34                                       
CONECT   24   58   58                                                 
CONECT   25   51  109                                                 
CONECT   26   60  110                                                 
CONECT   27   54   54                                                 
CONECT   28    1   23   23   74                                       
CONECT   29    1    1    4                                            
CONECT   30    6    6    9                                            
CONECT   31   38  111                                                 
CONECT   32   11   16   75                                            
CONECT   33   45  112                                                 
CONECT   34   18   23   76                                            
CONECT   35   56   56                                                 
CONECT   36   48   48                                                 
CONECT   37    2   38   77   78                                       
CONECT   38   13   13   31   37                                       
CONECT   39   58  113                                                 
CONECT   40   51   51                                                 
CONECT   41   60   60                                                 
CONECT   42   54  114                                                 
CONECT   43    3   44   79   80                                       
CONECT   44   43   45   81   82                                       
CONECT   45   15   15   33   44                                       
CONECT   46    8   47   83   84                                       
CONECT   47   46   48   85   86                                       
CONECT   48   22   36   36   47                                       
CONECT   49   14   50   87   88                                       
CONECT   50   49   51   89   90                                       
CONECT   51   25   40   40   50                                       
CONECT   52   21   53   91   92                                       
CONECT   53   52   54   93   94                                       
CONECT   54   27   27   42   53                                       
CONECT   55    7   56   95   96                                       
CONECT   56   20   35   35   55                                       
CONECT   57   12   58   97   98                                       
CONECT   58   24   24   39   57                                       
CONECT   59   19   60   99  100                                       
CONECT   60   26   41   41   59                                       
CONECT   61   12  101  102  103                                       
CONECT   62   19  104  105  106                                       
CONECT   63    2                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    5                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   14                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   21                                                      
CONECT   74   28                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
CONECT   87   49                                                      
CONECT   88   49                                                      
CONECT   89   50                                                      
CONECT   90   50                                                      
CONECT   91   52                                                      
CONECT   92   52                                                      
CONECT   93   53                                                      
CONECT   94   53                                                      
CONECT   95   55                                                      
CONECT   96   55                                                      
CONECT   97   57                                                      
CONECT   98   57                                                      
CONECT   99   59                                                      
CONECT  100   59                                                      
CONECT  101   61                                                      
CONECT  102   61                                                      
CONECT  103   61                                                      
CONECT  104   62                                                      
CONECT  105   62                                                      
CONECT  106   62                                                      
CONECT  107   20                                                      
CONECT  108   22                                                      
CONECT  109   25                                                      
CONECT  110   26                                                      
CONECT  111   31                                                      
CONECT  112   33                                                      
CONECT  113   39                                                      
CONECT  114   42                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
