COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   3      -2.817  -0.050  -1.094  1.00  0.00           C  
HETATM    2  C   UNK A   4      -5.646   0.668   1.658  1.00  0.00           C  
HETATM    3  C   UNK A   4      -5.442  -0.333  -2.854  1.00  0.00           C  
HETATM    4  C   UNK A   2       3.092  -3.800  -0.339  1.00  0.00           C  
HETATM    5  C   UNK A   2       4.465  -5.752  -0.371  1.00  0.00           C  
HETATM    6  C   UNK A   3      -1.779   2.178  -1.421  1.00  0.00           C  
HETATM    7  C   UNK A   3       1.124   4.273  -0.627  1.00  0.00           C  
HETATM    8  C   UNK A   1       6.478   3.021   1.839  1.00  0.00           C  
HETATM    9  C   UNK A   1       7.827   2.389   1.486  1.00  0.00           C  
HETATM   10  C   UNK A   1       7.715   0.866   1.592  1.00  0.00           C  
HETATM   11  N   UNK A   1       6.674   0.386   0.674  1.00  0.00           N  
HETATM   12  C   UNK A   1       5.361   0.942   1.023  1.00  0.00           C  
HETATM   13  C   UNK A   1       5.403   2.467   0.900  1.00  0.00           C  
HETATM   14  O   UNK A   1       4.130   3.010   1.259  1.00  0.00           O  
HETATM   15  C   UNK A   1       4.317   0.392   0.085  1.00  0.00           C  
HETATM   16  N   UNK A   2       3.015   0.423   0.433  1.00  0.00           N  
HETATM   17  C   UNK A   2       2.001  -0.112  -0.478  1.00  0.00           C  
HETATM   18  C   UNK A   2       0.676   0.551  -0.200  1.00  0.00           C  
HETATM   19  N   UNK A   3      -0.411   0.213  -0.922  1.00  0.00           N  
HETATM   20  C   UNK A   3      -1.698   0.858  -0.652  1.00  0.00           C  
HETATM   21  N   UNK A   4      -4.099   0.339  -0.948  1.00  0.00           N  
HETATM   22  C   UNK A   4      -5.186  -0.541  -1.383  1.00  0.00           C  
HETATM   23  C   UNK A   4      -6.455  -0.213  -0.594  1.00  0.00           C  
HETATM   24  O   UNK A   4      -6.888   1.110  -0.915  1.00  0.00           O  
HETATM   25  N   UNK A   4      -6.377  -1.387   1.693  1.00  0.00           N  
HETATM   26  C   UNK A   4      -5.989  -1.036   2.939  1.00  0.00           C  
HETATM   27  N   UNK A   4      -5.549   0.193   2.909  1.00  0.00           N  
HETATM   28  C   UNK A   4      -6.165  -0.302   0.883  1.00  0.00           C  
HETATM   29 CL   UNK A   4      -6.057  -2.054   4.344  1.00  0.00          Cl  
HETATM   30  O   UNK A   4      -4.784   0.468  -3.474  1.00  0.00           O  
HETATM   31  O   UNK A   4      -6.402  -1.037  -3.474  1.00  0.00           O  
HETATM   32  O   UNK A   2       0.588   1.388   0.673  1.00  0.00           O  
HETATM   33  O   UNK A   3      -2.564  -1.129  -1.587  1.00  0.00           O  
HETATM   34  O   UNK A   1       4.649  -0.079  -0.982  1.00  0.00           O  
HETATM   35  C   UNK A   2       1.870  -1.622  -0.266  1.00  0.00           C  
HETATM   36  C   UNK A   2       3.177  -2.308  -0.667  1.00  0.00           C  
HETATM   37  O   UNK A   2       4.372  -4.430  -0.609  1.00  0.00           O  
HETATM   38  N   UNK A   2       5.626  -6.397  -0.601  1.00  0.00           N  
HETATM   39  O   UNK A   2       3.504  -6.362   0.051  1.00  0.00           O  
HETATM   40  O   UNK A   2       3.392  -2.141  -2.070  1.00  0.00           O  
HETATM   41  C   UNK A   3      -0.738   3.131  -0.893  1.00  0.00           C  
HETATM   42  N   UNK A   3       0.524   3.332  -1.405  1.00  0.00           N  
HETATM   43  C   UNK A   3      -0.861   3.940   0.173  1.00  0.00           C  
HETATM   44  N   UNK A   3       0.284   4.629   0.315  1.00  0.00           N  
HETATM   45  N   UNK A   3       2.407   4.767  -0.798  1.00  0.00           N  
HETATM   46  H   UNK A   4      -5.362   1.658   1.331  1.00  0.00           H  
HETATM   47  H   UNK A   2       2.840  -3.927   0.714  1.00  0.00           H  
HETATM   48  H   UNK A   2       2.321  -4.264  -0.955  1.00  0.00           H  
HETATM   49  H   UNK A   3      -1.599   1.994  -2.480  1.00  0.00           H  
HETATM   50  H   UNK A   3      -2.770   2.614  -1.291  1.00  0.00           H  
HETATM   51  H   UNK A   1       6.221   2.778   2.871  1.00  0.00           H  
HETATM   52  H   UNK A   1       6.542   4.103   1.725  1.00  0.00           H  
HETATM   53  H   UNK A   1       8.102   2.664   0.468  1.00  0.00           H  
HETATM   54  H   UNK A   1       8.589   2.747   2.178  1.00  0.00           H  
HETATM   55  H   UNK A   1       8.670   0.412   1.327  1.00  0.00           H  
HETATM   56  H   UNK A   1       7.453   0.591   2.613  1.00  0.00           H  
HETATM   57  H   UNK A   1       6.912   0.595  -0.284  1.00  0.00           H  
HETATM   58  H   UNK A   1       5.110   0.667   2.047  1.00  0.00           H  
HETATM   59  H   UNK A   1       5.640   2.743  -0.127  1.00  0.00           H  
HETATM   60  H   UNK A   1       4.084   3.974   1.205  1.00  0.00           H  
HETATM   61  H   UNK A   2       2.750   0.800   1.287  1.00  0.00           H  
HETATM   62  H   UNK A   2       2.297   0.086  -1.508  1.00  0.00           H  
HETATM   63  H   UNK A   3      -0.340  -0.456  -1.621  1.00  0.00           H  
HETATM   64  H   UNK A   3      -1.790   1.053   0.416  1.00  0.00           H  
HETATM   65  H   UNK A   4      -4.302   1.202  -0.554  1.00  0.00           H  
HETATM   66  H   UNK A   4      -4.906  -1.579  -1.207  1.00  0.00           H  
HETATM   67  H   UNK A   4      -7.239  -0.925  -0.853  1.00  0.00           H  
HETATM   68  H   UNK A   4      -6.239   1.797  -0.710  1.00  0.00           H  
HETATM   69  H   UNK A   4      -6.744  -2.243   1.424  1.00  0.00           H  
HETATM   70  H   UNK A   4      -6.529  -0.869  -4.418  1.00  0.00           H  
HETATM   71  H   UNK A   2       1.661  -1.824   0.785  1.00  0.00           H  
HETATM   72  H   UNK A   2       1.055  -2.006  -0.879  1.00  0.00           H  
HETATM   73  H   UNK A   2       4.006  -1.862  -0.117  1.00  0.00           H  
HETATM   74  H   UNK A   2       6.394  -5.910  -0.938  1.00  0.00           H  
HETATM   75  H   UNK A   2       5.693  -7.349  -0.429  1.00  0.00           H  
HETATM   76  H   UNK A   2       2.692  -2.515  -2.622  1.00  0.00           H  
HETATM   77  H   UNK A   3       0.912   2.887  -2.175  1.00  0.00           H  
HETATM   78  H   UNK A   3      -1.733   4.025   0.805  1.00  0.00           H  
HETATM   79  H   UNK A   3       2.960   4.439  -1.524  1.00  0.00           H  
HETATM   80  H   UNK A   3       2.752   5.440  -0.191  1.00  0.00           H  
CONECT    1   20   21   33   33                                       
CONECT    2   27   28   28   46                                       
CONECT    3   30   30   31   22                                       
CONECT    4   36   37   47   48                                       
CONECT    5   37   39   39   38                                       
CONECT    6   20   41   49   50                                       
CONECT    7   44   44   42   45                                       
CONECT    8   13    9   51   52                                       
CONECT    9   10    8   53   54                                       
CONECT   10   11    9   55   56                                       
CONECT   11   10   12   57                                            
CONECT   12   13   11   15   58                                       
CONECT   13   14   12    8   59                                       
CONECT   14   13   60                                                 
CONECT   15   12   16   34   34                                       
CONECT   16   15   17   61                                            
CONECT   17   16   35   18   62                                       
CONECT   18   19   17   32   32                                       
CONECT   19   20   18   63                                            
CONECT   20   19    6    1   64                                       
CONECT   21    1   22   65                                            
CONECT   22   21    3   23   66                                       
CONECT   23   28   22   24   67                                       
CONECT   24   23   68                                                 
CONECT   25   26   28   69                                            
CONECT   26   29   27   27   25                                       
CONECT   27   26   26    2                                            
CONECT   28   25    2    2   23                                       
CONECT   29   26                                                      
CONECT   30    3    3                                                 
CONECT   31    3   70                                                 
CONECT   32   18   18                                                 
CONECT   33    1    1                                                 
CONECT   34   15   15                                                 
CONECT   35   17   36   71   72                                       
CONECT   36   35    4   40   73                                       
CONECT   37    4    5                                                 
CONECT   38    5   74   75                                            
CONECT   39    5    5                                                 
CONECT   40   36   76                                                 
CONECT   41   43   43    6   42                                       
CONECT   42   41    7   77                                            
CONECT   43   44   41   41   78                                       
CONECT   44   43    7    7                                            
CONECT   45    7   79   80                                            
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   31                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
