COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.519  -2.029   1.851  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.410  -2.339   0.682  1.00  0.00           C  
HETATM    3  C   UNL     1       0.919  -2.451   0.072  1.00  0.00           C  
HETATM    4  C   UNL     1       2.003  -2.052   0.731  1.00  0.00           C  
HETATM    5  C   UNL     1       3.355  -2.188   0.082  1.00  0.00           C  
HETATM    6  C   UNL     1       4.171  -3.226   0.866  1.00  0.00           C  
HETATM    7  C   UNL     1       4.100  -0.863   0.096  1.00  0.00           C  
HETATM    8  O   UNL     1       5.418  -1.061  -0.450  1.00  0.00           O  
HETATM    9  C   UNL     1       6.432  -0.275   0.180  1.00  0.00           C  
HETATM   10  O   UNL     1       6.203   1.108  -0.096  1.00  0.00           O  
HETATM   11  C   UNL     1       7.150   1.989   0.512  1.00  0.00           C  
HETATM   12  C   UNL     1       6.791   3.437   0.172  1.00  0.00           C  
HETATM   13  C   UNL     1       8.551   1.673  -0.018  1.00  0.00           C  
HETATM   14  C   UNL     1       8.879   0.205   0.271  1.00  0.00           C  
HETATM   15  N   UNL     1      10.191  -0.128  -0.300  1.00  0.00           N  
HETATM   16  C   UNL     1      10.241   0.203  -1.731  1.00  0.00           C  
HETATM   17  C   UNL     1      11.271   0.546   0.434  1.00  0.00           C  
HETATM   18  C   UNL     1       7.804  -0.682  -0.363  1.00  0.00           C  
HETATM   19  O   UNL     1       8.060  -2.050  -0.038  1.00  0.00           O  
HETATM   20  C   UNL     1       3.399   0.224  -0.720  1.00  0.00           C  
HETATM   21  C   UNL     1       2.914  -0.355  -2.052  1.00  0.00           C  
HETATM   22  C   UNL     1       2.223   0.801   0.064  1.00  0.00           C  
HETATM   23  C   UNL     1       2.085   2.307  -0.097  1.00  0.00           C  
HETATM   24  C   UNL     1       2.315   2.757  -1.539  1.00  0.00           C  
HETATM   25  C   UNL     1       0.698   2.755   0.312  1.00  0.00           C  
HETATM   26  O   UNL     1       0.532   3.890   0.707  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.383   1.864   0.231  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.660   2.244   0.497  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.717   1.228   0.485  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.382  -0.064   0.467  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.513  -2.570  -0.059  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.790  -2.516   0.628  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.721  -3.588   0.060  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.153  -4.974   0.370  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.436  -1.138   0.450  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.426  -0.905   1.595  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.150   0.304   1.360  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.310   0.137   0.541  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.911  -0.225  -0.782  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.000  -0.443  -1.681  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.457  -0.850  -3.052  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.814   0.847  -1.816  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.937   0.616  -2.669  1.00  0.00           O  
HETATM   44  C   UNL     1      -8.304   1.281  -0.431  1.00  0.00           C  
HETATM   45  O   UNL     1      -9.178   0.283   0.101  1.00  0.00           O  
HETATM   46  C   UNL     1     -10.554   0.479  -0.232  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.096   1.450   0.495  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.545   1.784   1.810  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.682   2.684   2.508  1.00  0.00           C  
HETATM   50  H   UNL     1       1.024  -2.871  -0.922  1.00  0.00           H  
HETATM   51  H   UNL     1       1.916  -1.635   1.723  1.00  0.00           H  
HETATM   52  H   UNL     1       3.233  -2.567  -0.933  1.00  0.00           H  
HETATM   53  H   UNL     1       3.611  -4.160   0.924  1.00  0.00           H  
HETATM   54  H   UNL     1       5.119  -3.403   0.357  1.00  0.00           H  
HETATM   55  H   UNL     1       4.363  -2.854   1.872  1.00  0.00           H  
HETATM   56  H   UNL     1       4.211  -0.518   1.129  1.00  0.00           H  
HETATM   57  H   UNL     1       4.128   1.014  -0.921  1.00  0.00           H  
HETATM   58  H   UNL     1       6.403  -0.441   1.257  1.00  0.00           H  
HETATM   59  H   UNL     1       7.819  -0.555  -1.446  1.00  0.00           H  
HETATM   60  H   UNL     1       7.131   1.853   1.593  1.00  0.00           H  
HETATM   61  H   UNL     1       5.793   3.661   0.549  1.00  0.00           H  
HETATM   62  H   UNL     1       7.514   4.108   0.636  1.00  0.00           H  
HETATM   63  H   UNL     1       6.810   3.572  -0.909  1.00  0.00           H  
HETATM   64  H   UNL     1       8.582   1.847  -1.094  1.00  0.00           H  
HETATM   65  H   UNL     1       9.281   2.314   0.477  1.00  0.00           H  
HETATM   66  H   UNL     1       8.899   0.042   1.349  1.00  0.00           H  
HETATM   67  H   UNL     1      10.062   1.270  -1.864  1.00  0.00           H  
HETATM   68  H   UNL     1      11.223  -0.054  -2.128  1.00  0.00           H  
HETATM   69  H   UNL     1       9.475  -0.363  -2.261  1.00  0.00           H  
HETATM   70  H   UNL     1      11.307   0.168   1.455  1.00  0.00           H  
HETATM   71  H   UNL     1      12.223   0.350  -0.060  1.00  0.00           H  
HETATM   72  H   UNL     1      11.085   1.620   0.450  1.00  0.00           H  
HETATM   73  H   UNL     1       7.414  -2.669  -0.404  1.00  0.00           H  
HETATM   74  H   UNL     1       2.215  -1.169  -1.862  1.00  0.00           H  
HETATM   75  H   UNL     1       2.416   0.426  -2.627  1.00  0.00           H  
HETATM   76  H   UNL     1       3.767  -0.733  -2.615  1.00  0.00           H  
HETATM   77  H   UNL     1       1.312   0.293  -0.258  1.00  0.00           H  
HETATM   78  H   UNL     1       2.370   0.576   1.132  1.00  0.00           H  
HETATM   79  H   UNL     1       2.811   2.807   0.550  1.00  0.00           H  
HETATM   80  H   UNL     1       1.584   2.278  -2.190  1.00  0.00           H  
HETATM   81  H   UNL     1       2.206   3.839  -1.604  1.00  0.00           H  
HETATM   82  H   UNL     1       3.320   2.473  -1.852  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.214   0.840  -0.081  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.899   3.273   0.702  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.750   1.535   0.480  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.338  -0.343   0.475  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.968  -1.110  -0.499  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.635  -2.705   1.691  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.708  -3.490   0.514  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.804  -3.462  -1.019  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.817  -5.738  -0.035  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.167  -5.072  -0.083  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.071  -5.100   1.450  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.122  -1.741   1.649  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.881  -0.824   2.536  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.939  -0.649   0.959  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.454   2.245   0.116  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.639  -1.236  -1.293  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.877  -1.768  -2.955  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.288  -1.016  -3.737  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.819  -0.056  -3.440  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.187   1.630  -2.244  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.701   0.333  -3.563  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.838   2.227  -0.513  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.151  -0.319   0.208  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.888   1.441   0.157  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.671   0.465  -1.316  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.673   2.272   2.534  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.669   3.646   1.997  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.046   2.818   3.527  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4   50                                       
CONECT    4    3    3    5   51                                       
CONECT    5    4    6    7   52                                       
CONECT    6    5   53   54   55                                       
CONECT    7    5    8   20   56                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   18   58                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   13   60                                       
CONECT   12   11   61   62   63                                       
CONECT   13   11   14   64   65                                       
CONECT   14   13   15   18   66                                       
CONECT   15   14   16   17                                            
CONECT   16   15   67   68   69                                       
CONECT   17   15   70   71   72                                       
CONECT   18    9   14   19   59                                       
CONECT   19   18   73                                                 
CONECT   20    7   21   22   57                                       
CONECT   21   20   74   75   76                                       
CONECT   22   20   23   77   78                                       
CONECT   23   22   24   25   79                                       
CONECT   24   23   80   81   82                                       
CONECT   25   23   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   28   83                                       
CONECT   28   27   27   29   84                                       
CONECT   29   28   30   30   85                                       
CONECT   30   29   29   35   86                                       
CONECT   31    2   32                                                 
CONECT   32   31   33   35   88                                       
CONECT   33   32   34   89   90                                       
CONECT   34   33   91   92   93                                       
CONECT   35   30   32   36   87                                       
CONECT   36   35   37   94   95                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   47   96                                       
CONECT   39   38   40                                                 
CONECT   40   39   41   42   98                                       
CONECT   41   40   99  100  101                                       
CONECT   42   40   43   44  102                                       
CONECT   43   42  103                                                 
CONECT   44   42   45   47  104                                       
CONECT   45   44   46                                                 
CONECT   46   45  105  106  107                                       
CONECT   47   38   44   48   97                                       
CONECT   48   47   49                                                 
CONECT   49   48  108  109  110                                       
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57   20                                                      
CONECT   58    9                                                      
CONECT   59   18                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   19                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   35                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   38                                                      
CONECT   97   47                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   46                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   49                                                      
CONECT  109   49                                                      
CONECT  110   49                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
