COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.557  -1.616   1.877  1.00  0.00           C  
HETATM    2  O   UNL     1       1.271  -1.903   0.506  1.00  0.00           O  
HETATM    3  C   UNL     1       1.393  -0.115   2.129  1.00  0.00           C  
HETATM    4  N   UNL     1       0.031   0.298   1.767  1.00  0.00           N  
HETATM    5  C   UNL     1       2.406   0.652   1.273  1.00  0.00           C  
HETATM    6  O   UNL     1       2.310   2.049   1.556  1.00  0.00           O  
HETATM    7  C   UNL     1       3.817   0.157   1.604  1.00  0.00           C  
HETATM    8  O   UNL     1       4.764   0.814   0.760  1.00  0.00           O  
HETATM    9  C   UNL     1       3.887  -1.355   1.372  1.00  0.00           C  
HETATM   10  O   UNL     1       2.899  -2.005   2.175  1.00  0.00           O  
HETATM   11  C   UNL     1       5.276  -1.866   1.758  1.00  0.00           C  
HETATM   12  O   UNL     1       5.555  -1.510   3.114  1.00  0.00           O  
HETATM   13  C   UNL     1       7.658   3.899  -0.588  1.00  0.00           C  
HETATM   14  C   UNL     1       8.627   1.794  -1.197  1.00  0.00           C  
HETATM   15  C   UNL     1       6.822   3.256   0.305  1.00  0.00           C  
HETATM   16  C   UNL     1       7.790   1.151  -0.303  1.00  0.00           C  
HETATM   17  C   UNL     1       5.977   1.181   1.421  1.00  0.00           C  
HETATM   18  C   UNL     1       8.561   3.168  -1.339  1.00  0.00           C  
HETATM   19  C   UNL     1       6.888   1.882   0.447  1.00  0.00           C  
HETATM   20 CL   UNL     1       9.612   3.976  -2.461  1.00  0.00          Cl  
HETATM   21  C   UNL     1       0.028  -5.386  -1.552  1.00  0.00           C  
HETATM   22  C   UNL     1       1.321  -5.448  -0.736  1.00  0.00           C  
HETATM   23  C   UNL     1       1.839  -4.029  -0.492  1.00  0.00           C  
HETATM   24  C   UNL     1       0.787  -3.228   0.278  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.505  -3.166  -0.538  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.023  -4.584  -0.782  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.469  -6.748  -1.787  1.00  0.00           N  
HETATM   28  N   UNL     1       3.080  -4.089   0.292  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.487  -2.417   0.181  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.230  -4.526  -1.544  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.825   0.260  -1.733  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.762  -0.637  -1.341  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.417  -1.725  -0.654  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.510  -1.049   0.204  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.691  -1.854   0.234  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.784   0.287  -0.523  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.143   0.348  -0.962  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.268   1.660  -2.002  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.417   1.622  -3.149  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.579   3.047   1.008  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.758   2.349   0.069  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.032   0.950  -0.019  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.478   0.742  -0.477  1.00  0.00           C  
HETATM   44  N   UNL     1      -7.656   1.314  -1.818  1.00  0.00           N  
HETATM   45  C   UNL     1      -8.422   1.441   0.506  1.00  0.00           C  
HETATM   46  O   UNL     1      -8.297   0.841   1.797  1.00  0.00           O  
HETATM   47  C   UNL     1      -8.047   2.923   0.592  1.00  0.00           C  
HETATM   48  O   UNL     1      -8.234   3.537  -0.685  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.179   4.523   1.037  1.00  0.00           C  
HETATM   50  N   UNL     1      -4.771   4.641   1.436  1.00  0.00           N  
HETATM   51  H   UNL     1       0.868  -2.169   2.515  1.00  0.00           H  
HETATM   52  H   UNL     1       1.571   0.098   3.183  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.655  -0.199   2.315  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.082   1.296   1.863  1.00  0.00           H  
HETATM   55  H   UNL     1       2.196   0.479   0.217  1.00  0.00           H  
HETATM   56  H   UNL     1       1.439   2.429   1.376  1.00  0.00           H  
HETATM   57  H   UNL     1       4.045   0.377   2.647  1.00  0.00           H  
HETATM   58  H   UNL     1       3.700  -1.570   0.320  1.00  0.00           H  
HETATM   59  H   UNL     1       5.306  -2.951   1.654  1.00  0.00           H  
HETATM   60  H   UNL     1       6.023  -1.418   1.104  1.00  0.00           H  
HETATM   61  H   UNL     1       6.422  -1.803   3.427  1.00  0.00           H  
HETATM   62  H   UNL     1       7.603   4.972  -0.702  1.00  0.00           H  
HETATM   63  H   UNL     1       9.332   1.223  -1.783  1.00  0.00           H  
HETATM   64  H   UNL     1       6.117   3.826   0.891  1.00  0.00           H  
HETATM   65  H   UNL     1       7.842   0.079  -0.191  1.00  0.00           H  
HETATM   66  H   UNL     1       5.749   1.849   2.252  1.00  0.00           H  
HETATM   67  H   UNL     1       6.469   0.285   1.800  1.00  0.00           H  
HETATM   68  H   UNL     1       0.225  -4.901  -2.509  1.00  0.00           H  
HETATM   69  H   UNL     1       1.123  -5.932   0.220  1.00  0.00           H  
HETATM   70  H   UNL     1       2.070  -6.019  -1.285  1.00  0.00           H  
HETATM   71  H   UNL     1       2.036  -3.545  -1.449  1.00  0.00           H  
HETATM   72  H   UNL     1       0.590  -3.712   1.235  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.308  -2.681  -1.494  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.220  -5.069   0.174  1.00  0.00           H  
HETATM   75  H   UNL     1       0.208  -7.298  -2.294  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.720  -7.196  -0.918  1.00  0.00           H  
HETATM   77  H   UNL     1       3.745  -4.718  -0.133  1.00  0.00           H  
HETATM   78  H   UNL     1       3.477  -3.170   0.411  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.616  -5.392  -1.737  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.336  -0.120  -2.617  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.868  -2.412  -1.370  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.146  -0.869   1.215  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.561  -2.728   0.626  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.557   1.130   0.130  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.092   2.350  -2.183  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.696   1.996  -1.137  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.028   2.476  -3.379  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.445   2.614   1.999  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.891   0.490   0.959  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.703  -0.324  -0.502  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.043   0.869  -2.485  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.618   1.251  -2.114  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.450   1.344   0.156  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.868   1.235   2.471  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.678   3.417   1.331  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.143   3.492  -1.014  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.314   4.956   0.046  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.806   5.055   1.754  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.482   5.608   1.463  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.607   4.190   2.324  1.00  0.00           H  
CONECT    1    2    3   10   51                                       
CONECT    2    1   24                                                 
CONECT    3    1    4    5   52                                       
CONECT    4    3   53   54                                            
CONECT    5    3    6    7   55                                       
CONECT    6    5   56                                                 
CONECT    7    5    8    9   57                                       
CONECT    8    7   17                                                 
CONECT    9    7   10   11   58                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   59   60                                       
CONECT   12   11   61                                                 
CONECT   13   15   15   18   62                                       
CONECT   14   16   18   18   63                                       
CONECT   15   13   13   19   64                                       
CONECT   16   14   19   19   65                                       
CONECT   17    8   19   66   67                                       
CONECT   18   13   14   14   20                                       
CONECT   19   15   16   16   17                                       
CONECT   20   18                                                      
CONECT   21   27   22   26   68                                       
CONECT   22   21   23   69   70                                       
CONECT   23   28   22   24   71                                       
CONECT   24    2   23   25   72                                       
CONECT   25   29   26   24   73                                       
CONECT   26   30   21   25   74                                       
CONECT   27   21   75   76                                            
CONECT   28   23   77   78                                            
CONECT   29   33   25                                                 
CONECT   30   26   79                                                 
CONECT   31   36   32   38   80                                       
CONECT   32   33   31                                                 
CONECT   33   29   34   32   81                                       
CONECT   34   33   35   36   82                                       
CONECT   35   34   83                                                 
CONECT   36   34   37   31   84                                       
CONECT   37   36   42                                                 
CONECT   38   31   39   85   86                                       
CONECT   39   38   87                                                 
CONECT   40   49   41   47   88                                       
CONECT   41   40   42                                                 
CONECT   42   37   41   43   89                                       
CONECT   43   44   45   42   90                                       
CONECT   44   43   91   92                                            
CONECT   45   46   43   47   93                                       
CONECT   46   45   94                                                 
CONECT   47   48   45   40   95                                       
CONECT   48   47   96                                                 
CONECT   49   50   40   97   98                                       
CONECT   50   49   99  100                                            
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
