COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.386   1.738   2.185  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.220   0.932   0.968  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.554   0.276   0.604  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.574   1.360   0.248  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.908   0.705  -0.116  1.00  0.00           C  
HETATM    6  N   UNL     1      -9.885   1.742  -0.457  1.00  0.00           N  
HETATM    7  C   UNL     1     -11.157   1.392  -0.817  1.00  0.00           C  
HETATM    8  N   UNL     1     -11.508   0.107  -0.858  1.00  0.00           N  
HETATM    9  N   UNL     1     -12.045   2.335  -1.128  1.00  0.00           N1+
HETATM   10  C   UNL     1      -4.186  -0.137   1.211  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.701  -0.272   2.314  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.799  -0.941   0.201  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.865  -2.077   0.307  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.530  -1.598   0.818  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.300  -0.409   0.890  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.703  -2.668  -1.111  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.100  -1.470  -2.028  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.237  -0.846  -1.194  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.888  -0.537  -2.077  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.290   0.843  -2.590  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.306   1.452  -1.617  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.569   0.568  -1.613  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.593  -2.490   1.195  1.00  0.00           N  
HETATM   24  C   UNL     1       0.744  -2.162   1.709  1.00  0.00           C  
HETATM   25  C   UNL     1       1.507  -1.364   0.683  1.00  0.00           C  
HETATM   26  O   UNL     1       0.990  -1.092  -0.380  1.00  0.00           O  
HETATM   27  C   UNL     1       1.470  -3.496   1.982  1.00  0.00           C  
HETATM   28  C   UNL     1       0.709  -4.498   1.074  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.742  -3.956   1.165  1.00  0.00           C  
HETATM   30  N   UNL     1       2.764  -0.954   0.946  1.00  0.00           N  
HETATM   31  C   UNL     1       3.505  -0.179  -0.052  1.00  0.00           C  
HETATM   32  C   UNL     1       4.180  -1.132  -1.040  1.00  0.00           C  
HETATM   33  C   UNL     1       4.554   0.655   0.638  1.00  0.00           C  
HETATM   34  O   UNL     1       4.671   0.606   1.844  1.00  0.00           O  
HETATM   35  C   UNL     1       6.382   2.265   0.585  1.00  0.00           C  
HETATM   36  C   UNL     1       7.517   2.569  -0.395  1.00  0.00           C  
HETATM   37  C   UNL     1       8.212   1.286  -0.772  1.00  0.00           C  
HETATM   38  C   UNL     1       9.283   0.834  -0.024  1.00  0.00           C  
HETATM   39  C   UNL     1       7.775   0.559  -1.864  1.00  0.00           C  
HETATM   40  C   UNL     1       9.920  -0.343  -0.370  1.00  0.00           C  
HETATM   41  C   UNL     1       8.413  -0.618  -2.210  1.00  0.00           C  
HETATM   42  C   UNL     1       9.487  -1.068  -1.464  1.00  0.00           C  
HETATM   43  C   UNL     1       5.766   3.557   1.057  1.00  0.00           C  
HETATM   44  C   UNL     1      10.182  -2.350  -1.842  1.00  0.00           C  
HETATM   45  O   UNL     1       4.592   3.779   0.854  1.00  0.00           O  
HETATM   46  N   UNL     1       5.362   1.454  -0.086  1.00  0.00           N  
HETATM   47  N   UNL     1       6.522   4.466   1.706  1.00  0.00           N  
HETATM   48  H   UNL     1      -5.688   1.165   2.960  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.536   2.232   2.410  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.895   1.573   0.149  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.413  -0.385  -0.250  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.919  -0.301   1.454  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.715   2.021   1.103  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.209   1.937  -0.602  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.767   0.043  -0.970  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.273   0.127   0.734  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.629   2.677  -0.427  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.861  -0.580  -0.632  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.410  -0.141  -1.114  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.947   2.086  -1.383  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.789   3.270  -1.098  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.271  -2.830   0.982  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.670  -2.966  -1.291  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.381  -3.509  -1.259  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.433  -1.787  -3.016  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.133  -1.454  -1.317  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.469  -0.440  -1.076  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.135  -0.962  -2.741  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.410   1.483  -2.647  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.742   0.749  -3.578  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.879   1.486  -0.615  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.566   2.460  -1.940  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.001   0.552  -2.614  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.296   0.986  -0.918  1.00  0.00           H  
HETATM   75  H   UNL     1       0.656  -1.589   2.633  1.00  0.00           H  
HETATM   76  H   UNL     1       2.519  -3.432   1.691  1.00  0.00           H  
HETATM   77  H   UNL     1       1.377  -3.779   3.031  1.00  0.00           H  
HETATM   78  H   UNL     1       1.081  -4.458   0.051  1.00  0.00           H  
HETATM   79  H   UNL     1       0.772  -5.511   1.472  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.224  -4.307   2.078  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.316  -4.262   0.291  1.00  0.00           H  
HETATM   82  H   UNL     1       3.177  -1.172   1.796  1.00  0.00           H  
HETATM   83  H   UNL     1       2.817   0.474  -0.589  1.00  0.00           H  
HETATM   84  H   UNL     1       4.867  -1.785  -0.503  1.00  0.00           H  
HETATM   85  H   UNL     1       3.421  -1.735  -1.539  1.00  0.00           H  
HETATM   86  H   UNL     1       4.731  -0.555  -1.782  1.00  0.00           H  
HETATM   87  H   UNL     1       6.777   1.717   1.440  1.00  0.00           H  
HETATM   88  H   UNL     1       7.109   3.038  -1.290  1.00  0.00           H  
HETATM   89  H   UNL     1       8.232   3.244   0.075  1.00  0.00           H  
HETATM   90  H   UNL     1       9.621   1.400   0.831  1.00  0.00           H  
HETATM   91  H   UNL     1       6.936   0.910  -2.446  1.00  0.00           H  
HETATM   92  H   UNL     1      10.757  -0.696   0.214  1.00  0.00           H  
HETATM   93  H   UNL     1       8.071  -1.186  -3.062  1.00  0.00           H  
HETATM   94  H   UNL     1       9.706  -3.186  -1.330  1.00  0.00           H  
HETATM   95  H   UNL     1      10.112  -2.497  -2.920  1.00  0.00           H  
HETATM   96  H   UNL     1      11.231  -2.295  -1.550  1.00  0.00           H  
HETATM   97  H   UNL     1       5.269   1.493  -1.050  1.00  0.00           H  
HETATM   98  H   UNL     1       7.461   4.288   1.868  1.00  0.00           H  
HETATM   99  H   UNL     1       6.125   5.297   2.010  1.00  0.00           H  
CONECT    1    2   48   49                                            
CONECT    2    1    3   10   50                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3    5   53   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5    7   57                                            
CONECT    7    6    8    9    9                                       
CONECT    8    7   58   59                                            
CONECT    9    7    7   60   61                                       
CONECT   10    2   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   13   18   10                                            
CONECT   13   12   14   16   62                                       
CONECT   14   13   15   15   23                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   63   64                                       
CONECT   17   16   18   19   65                                       
CONECT   18   12   17   22   66                                       
CONECT   19   17   20   67   68                                       
CONECT   20   19   21   69   70                                       
CONECT   21   20   22   71   72                                       
CONECT   22   18   21   73   74                                       
CONECT   23   24   29   14                                            
CONECT   24   23   25   27   75                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   76   77                                       
CONECT   28   27   29   78   79                                       
CONECT   29   23   28   80   81                                       
CONECT   30   31   82   25                                            
CONECT   31   30   32   33   83                                       
CONECT   32   31   84   85   86                                       
CONECT   33   31   34   34   46                                       
CONECT   34   33   33                                                 
CONECT   35   36   46   43   87                                       
CONECT   36   35   37   88   89                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37   40   90                                       
CONECT   39   37   41   41   91                                       
CONECT   40   38   42   42   92                                       
CONECT   41   39   39   42   93                                       
CONECT   42   40   40   41   44                                       
CONECT   43   35   45   45   47                                       
CONECT   44   42   94   95   96                                       
CONECT   45   43   43                                                 
CONECT   46   35   97   33                                            
CONECT   47   98   99   43                                            
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   13                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   24                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
