COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.758  -2.864  -0.794  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.404  -2.594  -0.730  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.808  -1.815  -1.705  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.333  -1.512  -1.629  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.564  -1.311  -2.746  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.919  -1.580  -2.809  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.516  -2.353  -1.832  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.996  -2.637  -1.892  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.528  -2.804  -0.491  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.501  -1.796   0.345  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.942  -0.467  -0.092  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.939  -0.020   0.898  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.952   0.791   0.420  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.932   1.112  -0.749  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.888   1.284   1.367  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.113   2.767   1.669  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.532   2.969   2.204  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.101   3.233   2.718  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.565   1.101   0.716  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.401  -0.121   0.117  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.282  -0.952   0.156  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.102  -0.410  -0.591  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.641   0.774  -1.245  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.057  -0.874   0.426  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.843   0.221   1.473  1.00  0.00           C  
HETATM   26  C   UNL     1       0.113  -0.288   2.554  1.00  0.00           C  
HETATM   27  N   UNL     1       1.446  -0.495   1.970  1.00  0.00           N  
HETATM   28  N   UNL     1       2.003   0.692   1.589  1.00  0.00           N  
HETATM   29  C   UNL     1       2.269   0.924   0.288  1.00  0.00           C  
HETATM   30  O   UNL     1       1.937   0.115  -0.553  1.00  0.00           O  
HETATM   31  C   UNL     1       2.980   2.188  -0.122  1.00  0.00           C  
HETATM   32  C   UNL     1       2.028   3.377   0.018  1.00  0.00           C  
HETATM   33  C   UNL     1       1.631   3.543   1.486  1.00  0.00           C  
HETATM   34  C   UNL     1       2.725   4.649  -0.470  1.00  0.00           C  
HETATM   35  C   UNL     1       0.774   3.128  -0.824  1.00  0.00           C  
HETATM   36  N   UNL     1       3.416   2.073  -1.516  1.00  0.00           N  
HETATM   37  C   UNL     1       4.464   2.798  -1.956  1.00  0.00           C  
HETATM   38  O   UNL     1       5.046   3.547  -1.197  1.00  0.00           O  
HETATM   39  O   UNL     1       4.865   2.692  -3.237  1.00  0.00           O  
HETATM   40  C   UNL     1       5.999   3.503  -3.642  1.00  0.00           C  
HETATM   41  C   UNL     1       2.323  -1.213   2.905  1.00  0.00           C  
HETATM   42  C   UNL     1       3.636  -1.515   2.229  1.00  0.00           C  
HETATM   43  C   UNL     1       4.677  -0.608   2.309  1.00  0.00           C  
HETATM   44  C   UNL     1       5.882  -0.879   1.692  1.00  0.00           C  
HETATM   45  C   UNL     1       3.798  -2.701   1.536  1.00  0.00           C  
HETATM   46  C   UNL     1       4.998  -2.984   0.917  1.00  0.00           C  
HETATM   47  C   UNL     1       6.048  -2.070   0.989  1.00  0.00           C  
HETATM   48  C   UNL     1       7.341  -2.368   0.324  1.00  0.00           C  
HETATM   49  C   UNL     1       7.517  -3.560  -0.385  1.00  0.00           C  
HETATM   50  C   UNL     1       8.742  -3.790  -0.987  1.00  0.00           C  
HETATM   51  C   UNL     1       9.742  -2.843  -0.870  1.00  0.00           C  
HETATM   52  N   UNL     1       9.546  -1.727  -0.195  1.00  0.00           N  
HETATM   53  C   UNL     1       8.396  -1.461   0.390  1.00  0.00           C  
HETATM   54  H   UNL     1      -6.223  -3.477  -0.036  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.812  -2.991   0.081  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.791  -2.411  -1.333  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.979  -1.176  -2.603  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.097  -0.707  -3.510  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.511  -1.185  -3.622  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.506  -1.806  -2.378  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.168  -3.552  -2.458  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.932  -3.755  -0.178  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.880  -1.919   1.349  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.470  -0.573  -1.069  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.747   0.266  -0.152  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.980  -0.288   1.829  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.925   0.711   2.293  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.983   3.348   0.755  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.878   1.786   0.715  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.662   2.389   3.117  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.692   4.026   2.419  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.252   2.637   1.457  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.094   3.173   2.303  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.317   4.264   2.998  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.170   2.595   3.598  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.257   1.126  -1.903  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.406  -1.783   0.916  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.117  -1.076  -0.087  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.415   1.102   0.995  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.799   0.481   1.927  1.00  0.00           H  
HETATM   81  H   UNL     1       0.179   0.447   3.356  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.259  -1.231   2.954  1.00  0.00           H  
HETATM   83  H   UNL     1       2.208   1.368   2.253  1.00  0.00           H  
HETATM   84  H   UNL     1       2.501  -0.594   3.784  1.00  0.00           H  
HETATM   85  H   UNL     1       1.847  -2.145   3.207  1.00  0.00           H  
HETATM   86  H   UNL     1       3.849   2.341   0.519  1.00  0.00           H  
HETATM   87  H   UNL     1       2.951   1.474  -2.122  1.00  0.00           H  
HETATM   88  H   UNL     1       2.528   3.678   2.091  1.00  0.00           H  
HETATM   89  H   UNL     1       0.987   4.416   1.592  1.00  0.00           H  
HETATM   90  H   UNL     1       1.097   2.654   1.821  1.00  0.00           H  
HETATM   91  H   UNL     1       3.007   4.530  -1.516  1.00  0.00           H  
HETATM   92  H   UNL     1       2.046   5.496  -0.370  1.00  0.00           H  
HETATM   93  H   UNL     1       3.618   4.826   0.130  1.00  0.00           H  
HETATM   94  H   UNL     1       0.329   2.175  -0.539  1.00  0.00           H  
HETATM   95  H   UNL     1       0.056   3.930  -0.653  1.00  0.00           H  
HETATM   96  H   UNL     1       1.045   3.101  -1.879  1.00  0.00           H  
HETATM   97  H   UNL     1       6.868   3.237  -3.040  1.00  0.00           H  
HETATM   98  H   UNL     1       6.217   3.322  -4.695  1.00  0.00           H  
HETATM   99  H   UNL     1       5.764   4.556  -3.495  1.00  0.00           H  
HETATM  100  H   UNL     1       4.547   0.315   2.855  1.00  0.00           H  
HETATM  101  H   UNL     1       2.983  -3.408   1.480  1.00  0.00           H  
HETATM  102  H   UNL     1       6.694  -0.170   1.755  1.00  0.00           H  
HETATM  103  H   UNL     1       5.123  -3.910   0.377  1.00  0.00           H  
HETATM  104  H   UNL     1       6.718  -4.283  -0.460  1.00  0.00           H  
HETATM  105  H   UNL     1       8.272  -0.534   0.930  1.00  0.00           H  
HETATM  106  H   UNL     1       8.914  -4.701  -1.542  1.00  0.00           H  
HETATM  107  H   UNL     1      10.699  -3.019  -1.339  1.00  0.00           H  
CONECT    1    2    7    7   54                                       
CONECT    2    1    3    3   55                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3   22   56   57                                       
CONECT    5    3    6    6   58                                       
CONECT    6    5    5    7   59                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   60   61                                       
CONECT    9    8   10   10   62                                       
CONECT   10    9    9   11   63                                       
CONECT   11   10   12   64   65                                       
CONECT   12   11   13   66                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   19   67                                       
CONECT   16   15   17   18   68                                       
CONECT   17   16   70   71   72                                       
CONECT   18   16   73   74   75                                       
CONECT   19   15   20   69                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22    4   20   23   24                                       
CONECT   23   22   76                                                 
CONECT   24   22   25   77   78                                       
CONECT   25   24   26   79   80                                       
CONECT   26   25   27   81   82                                       
CONECT   27   26   28   41                                            
CONECT   28   27   29   83                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   36   86                                       
CONECT   32   31   33   34   35                                       
CONECT   33   32   88   89   90                                       
CONECT   34   32   91   92   93                                       
CONECT   35   32   94   95   96                                       
CONECT   36   31   37   87                                            
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40                                                 
CONECT   40   39   97   98   99                                       
CONECT   41   27   42   84   85                                       
CONECT   42   41   43   45   45                                       
CONECT   43   42   44   44  100                                       
CONECT   44   43   43   47  102                                       
CONECT   45   42   42   46  101                                       
CONECT   46   45   47   47  103                                       
CONECT   47   44   46   46   48                                       
CONECT   48   47   49   53   53                                       
CONECT   49   48   50   50  104                                       
CONECT   50   49   49   51  106                                       
CONECT   51   50   52   52  107                                       
CONECT   52   51   51   53                                            
CONECT   53   48   48   52  105                                       
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   19                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   28                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   31                                                      
CONECT   87   36                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   43                                                      
CONECT  101   45                                                      
CONECT  102   44                                                      
CONECT  103   46                                                      
CONECT  104   49                                                      
CONECT  105   53                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
