COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.487  -1.009   1.039  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.607  -2.239   1.329  1.00  0.00           C  
HETATM    3  C   UNL     1       1.842   1.392   2.795  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.325   3.876   1.272  1.00  0.00           C  
HETATM    5  C   UNL     1       1.968   0.656   1.459  1.00  0.00           C  
HETATM    6  C   UNL     1       3.703  -0.844   2.450  1.00  0.00           C  
HETATM    7  O   UNL     1       7.476   3.263   0.381  1.00  0.00           O1-
HETATM    8  C   UNL     1      -3.720   3.601   2.650  1.00  0.00           C  
HETATM    9  C   UNL     1       2.489  -1.536   0.380  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.149  -2.436  -0.398  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.888  -1.341  -0.751  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.319   1.883  -2.089  1.00  0.00           C  
HETATM   13  C   UNL     1       3.577  -0.108   3.785  1.00  0.00           C  
HETATM   14  C   UNL     1       1.138  -1.604  -0.286  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.967   2.999  -3.461  1.00  0.00           O  
HETATM   16  O   UNL     1       9.266   2.152   0.271  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.239  -2.657   0.619  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.471   3.653   0.102  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.022  -0.115  -0.885  1.00  0.00           C  
HETATM   20  C   UNL     1       3.183   1.348   3.530  1.00  0.00           C  
HETATM   21  O   UNL     1       0.951  -1.031  -1.339  1.00  0.00           O  
HETATM   22  C   UNL     1       2.362  -0.800   1.715  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.096  -3.628  -1.356  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.356  -0.925  -0.513  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.429   1.650  -3.311  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.866  -4.913  -0.558  1.00  0.00           C  
HETATM   27  N   UNL     1       0.138  -2.302   0.288  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.015  -3.310   1.616  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.153   0.106  -0.068  1.00  0.00           O  
HETATM   30  N   UNL     1       7.006  -0.999  -1.315  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.419  -3.731  -2.117  1.00  0.00           C  
HETATM   32  C   UNL     1       0.051  -3.433  -2.349  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.470   0.492  -3.029  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.841   0.259   1.601  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.150   3.151  -2.299  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.200  -2.343   2.781  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.965   5.042   2.196  1.00  0.00           C  
HETATM   38  N   UNL     1       3.425  -0.817  -0.488  1.00  0.00           N  
HETATM   39  O   UNL     1      -5.234   3.322  -1.204  1.00  0.00           O  
HETATM   40  N   UNL     1      -3.464  -2.129   0.420  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.214   0.737  -1.911  1.00  0.00           N  
HETATM   42  C   UNL     1      -4.028   3.381  -1.095  1.00  0.00           C  
HETATM   43  C   UNL     1       0.491   0.326  -4.208  1.00  0.00           C  
HETATM   44  O   UNL     1       5.166  -1.844   0.426  1.00  0.00           O  
HETATM   45  C   UNL     1       4.749  -1.044  -0.385  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.541  -1.051   3.266  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.540   0.098   3.089  1.00  0.00           C  
HETATM   48  C   UNL     1       7.906  -0.195  -0.854  1.00  0.00           C  
HETATM   49  C   UNL     1       5.713  -0.305  -1.277  1.00  0.00           C  
HETATM   50  C   UNL     1       6.008   1.065  -0.707  1.00  0.00           C  
HETATM   51  C   UNL     1       7.318   1.089  -0.470  1.00  0.00           C  
HETATM   52  N   UNL     1       8.064   2.236   0.094  1.00  0.00           N1+
HETATM   53  H   UNL     1      -6.519  -1.132   1.369  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.170  -3.135   1.071  1.00  0.00           H  
HETATM   55  H   UNL     1       1.561   2.429   2.612  1.00  0.00           H  
HETATM   56  H   UNL     1       1.077   0.910   3.404  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.382   3.652   1.133  1.00  0.00           H  
HETATM   58  H   UNL     1       1.013   0.687   0.935  1.00  0.00           H  
HETATM   59  H   UNL     1       2.733   1.138   0.850  1.00  0.00           H  
HETATM   60  H   UNL     1       4.468  -0.362   1.840  1.00  0.00           H  
HETATM   61  H   UNL     1       3.984  -1.881   2.632  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.379   3.196   3.418  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.687   3.254   2.687  1.00  0.00           H  
HETATM   64  H   UNL     1       2.858  -2.546   0.555  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.357  -1.527  -0.962  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.816  -1.946  -1.655  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.697   1.999  -1.202  1.00  0.00           H  
HETATM   68  H   UNL     1       2.812  -0.590   4.395  1.00  0.00           H  
HETATM   69  H   UNL     1       4.532  -0.139   4.309  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.585   2.258  -3.414  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.507   3.700   0.189  1.00  0.00           H  
HETATM   72  H   UNL     1       3.947   1.830   2.920  1.00  0.00           H  
HETATM   73  H   UNL     1       3.093   1.873   4.481  1.00  0.00           H  
HETATM   74  H   UNL     1       1.598  -1.282   2.324  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.039  -1.623  -0.997  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.531   0.093  -0.861  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.050   1.406  -4.173  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.856   2.553  -3.521  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.683  -5.052   0.150  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.828  -5.763  -1.240  1.00  0.00           H  
HETATM   81  H   UNL     1       0.077  -4.840  -0.015  1.00  0.00           H  
HETATM   82  H   UNL     1       0.271  -2.716   1.155  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.603  -2.799  -2.652  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.365  -4.555  -2.829  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.230  -3.911  -1.413  1.00  0.00           H  
HETATM   86  H   UNL     1       0.994  -3.360  -1.807  1.00  0.00           H  
HETATM   87  H   UNL     1       0.089  -4.283  -3.032  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.112  -2.518  -2.918  1.00  0.00           H  
HETATM   89  H   UNL     1       0.100   0.703  -2.124  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.040  -0.427  -2.894  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.912   0.456   1.066  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.520   1.100   1.461  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.484   4.004  -2.431  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.083  -2.542   3.387  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.496  -3.167   2.896  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.094   5.642   1.934  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.786   5.584   2.665  1.00  0.00           H  
HETATM   98  H   UNL     1       3.092  -0.177  -1.136  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.945   0.591  -2.532  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.070   0.031  -5.095  1.00  0.00           H  
HETATM  101  H   UNL     1       0.999   1.272  -4.398  1.00  0.00           H  
HETATM  102  H   UNL     1       1.228  -0.441  -3.972  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.275  -1.147   4.318  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.646  -0.852   2.677  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.109   1.020   3.477  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.461  -0.133   3.625  1.00  0.00           H  
HETATM  107  H   UNL     1       8.954  -0.439  -0.763  1.00  0.00           H  
HETATM  108  H   UNL     1       5.302  -0.216  -2.283  1.00  0.00           H  
HETATM  109  H   UNL     1       5.300   1.862  -0.529  1.00  0.00           H  
CONECT    1   24   34    2   53                                       
CONECT    2    1   40   36   54                                       
CONECT    3   20    5   55   56                                       
CONECT    4   18    8   37   57                                       
CONECT    5    3   22   58   59                                       
CONECT    6   13   22   60   61                                       
CONECT    7   52                                                      
CONECT    8    4   37   62   63                                       
CONECT    9   22   14   38   64                                       
CONECT   10   17   27   23   65                                       
CONECT   11   24   19   40   66                                       
CONECT   12   35   41   25   67                                       
CONECT   13    6   20   68   69                                       
CONECT   14    9   27   21   21                                       
CONECT   15   35   70                                                 
CONECT   16   52   52                                                 
CONECT   17   10   40   28   28                                       
CONECT   18    4   42   71                                            
CONECT   19   11   41   29   29                                       
CONECT   20    3   13   72   73                                       
CONECT   21   14   14                                                 
CONECT   22    5    6    9   74                                       
CONECT   23   10   31   32   26                                       
CONECT   24    1   11   75   76                                       
CONECT   25   12   33   77   78                                       
CONECT   26   23   79   80   81                                       
CONECT   27   10   14   82                                            
CONECT   28   17   17                                                 
CONECT   29   19   19                                                 
CONECT   30   49   48   48                                            
CONECT   31   23   83   84   85                                       
CONECT   32   23   86   87   88                                       
CONECT   33   25   43   89   90                                       
CONECT   34    1   47   91   92                                       
CONECT   35   12   15   42   93                                       
CONECT   36    2   46   94   95                                       
CONECT   37    4    8   96   97                                       
CONECT   38    9   45   98                                            
CONECT   39   42   42                                                 
CONECT   40    2   11   17                                            
CONECT   41   12   19   99                                            
CONECT   42   18   35   39   39                                       
CONECT   43   33  100  101  102                                       
CONECT   44   45   45                                                 
CONECT   45   38   44   44   49                                       
CONECT   46   36   47  103  104                                       
CONECT   47   34   46  105  106                                       
CONECT   48   30   30   51  107                                       
CONECT   49   30   45   50  108                                       
CONECT   50   49   51   51  109                                       
CONECT   51   48   50   50   52                                       
CONECT   52    7   16   16   51                                       
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   15                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   41                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   43                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   48                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
