COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.574   0.997   0.540  1.00  0.00           C  
HETATM    2  C   UNL     1       3.873   0.800  -0.103  1.00  0.00           C  
HETATM    3  C   UNL     1       0.392   2.073   0.667  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.581   1.026   0.182  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.146   3.459   0.315  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.883  -0.238  -0.456  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.337  -1.540  -0.679  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.687  -1.789  -0.801  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.408   4.494   0.607  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.801   0.808  -0.358  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.215   3.866   1.331  1.00  0.00           C  
HETATM   12 CL   UNL     1       7.938   0.958  -3.545  1.00  0.00          Cl  
HETATM   13 CL   UNL     1      -1.588  -2.463  -1.196  1.00  0.00          Cl  
HETATM   14  C   UNL     1       8.260  -1.273  -0.244  1.00  0.00           C  
HETATM   15  C   UNL     1       8.531  -0.643  -1.444  1.00  0.00           C  
HETATM   16  C   UNL     1       7.581   0.172  -2.038  1.00  0.00           C  
HETATM   17  C   UNL     1       6.353   0.362  -1.439  1.00  0.00           C  
HETATM   18  C   UNL     1       6.066  -0.270  -0.225  1.00  0.00           C  
HETATM   19  C   UNL     1       7.033  -1.094   0.374  1.00  0.00           C  
HETATM   20  N   UNL     1       6.757  -1.733   1.588  1.00  0.00           N  
HETATM   21  C   UNL     1       7.525  -1.747   2.700  1.00  0.00           C  
HETATM   22  N   UNL     1       6.891  -2.453   3.599  1.00  0.00           N  
HETATM   23  N   UNL     1       5.776  -2.886   3.132  1.00  0.00           N  
HETATM   24  N   UNL     1       5.620  -2.492   1.914  1.00  0.00           N  
HETATM   25  C   UNL     1       4.760  -0.072   0.421  1.00  0.00           C  
HETATM   26  O   UNL     1       2.293   0.374   1.547  1.00  0.00           O  
HETATM   27  N   UNL     1       1.690   1.872   0.020  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.598  -0.746  -0.702  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.150   0.550  -0.482  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.255  -0.209  -0.266  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.423  -0.847  -0.582  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.431   0.031  -0.323  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.874   1.179   0.115  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.314   2.213  -0.136  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.521   4.786   1.611  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.869   4.341   1.042  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.979   2.816   1.102  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.969  -1.001  -0.824  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.486  -2.150  -0.346  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.816  -2.357  -0.383  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.752  -3.000   0.118  1.00  0.00           O  
HETATM   42  C   UNL     1     -10.302  -3.617   0.149  1.00  0.00           C  
HETATM   43  H   UNL     1       4.123   1.352  -0.997  1.00  0.00           H  
HETATM   44  H   UNL     1       0.507   1.991   1.748  1.00  0.00           H  
HETATM   45  H   UNL     1       0.670   4.182   0.338  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.583   3.437  -0.683  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.630  -2.352  -0.757  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.036  -2.796  -0.974  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.095   5.424   0.132  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.775   3.805  -0.153  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.548   2.984   1.879  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.795   4.588   2.031  1.00  0.00           H  
HETATM   53  H   UNL     1       9.005  -1.910   0.211  1.00  0.00           H  
HETATM   54  H   UNL     1       9.490  -0.786  -1.920  1.00  0.00           H  
HETATM   55  H   UNL     1       5.616   0.998  -1.905  1.00  0.00           H  
HETATM   56  H   UNL     1       8.483  -1.265   2.823  1.00  0.00           H  
HETATM   57  H   UNL     1       4.510  -0.625   1.315  1.00  0.00           H  
HETATM   58  H   UNL     1       1.915   2.368  -0.783  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.861   1.359  -0.407  1.00  0.00           H  
HETATM   60  H   UNL     1       0.640  -0.574  -0.348  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.233   2.202   0.004  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.559   2.821  -1.007  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.323   4.245   2.537  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.552   5.856   1.817  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.674   4.786   1.627  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.951   4.670   0.006  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.030   2.527   1.127  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.479   2.449   1.998  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.547  -0.350  -1.253  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.862  -4.442  -0.411  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.022  -3.701   1.199  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.388  -3.655   0.059  1.00  0.00           H  
CONECT    1   27    2   26   26                                       
CONECT    2   25   25    1   43                                       
CONECT    3    5   27    4   44                                       
CONECT    4   30    3   33   33                                       
CONECT    5   11    3   45   46                                       
CONECT    6   32    7    7   10                                       
CONECT    7    6    6    8   47                                       
CONECT    8    7   28   28   48                                       
CONECT    9   11   35   49   50                                       
CONECT   10    6   34   29   29                                       
CONECT   11    5    9   51   52                                       
CONECT   12   16                                                      
CONECT   13   31                                                      
CONECT   14   19   19   15   53                                       
CONECT   15   14   16   16   54                                       
CONECT   16   15   15   17   12                                       
CONECT   17   18   18   16   55                                       
CONECT   18   19   25   17   17                                       
CONECT   19   20   14   14   18                                       
CONECT   20   21   24   19                                            
CONECT   21   22   22   20   56                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24                                            
CONECT   24   23   23   20                                            
CONECT   25   18    2    2   57                                       
CONECT   26    1    1                                                 
CONECT   27    3    1   58                                            
CONECT   28    8    8   29   38                                       
CONECT   29   10   10   28   59                                       
CONECT   30   31    4   60                                            
CONECT   31   13   30   32   32                                       
CONECT   32   31   31   33    6                                       
CONECT   33    4    4   32                                            
CONECT   34   37   10   61   62                                       
CONECT   35   36    9   63   64                                       
CONECT   36   37   35   65   66                                       
CONECT   37   36   34   67   68                                       
CONECT   38   28   39   69                                            
CONECT   39   41   41   38   40                                       
CONECT   40   39   42                                                 
CONECT   41   39   39                                                 
CONECT   42   40   70   71   72                                       
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   21                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   42                                                      
CONECT   71   42                                                      
CONECT   72   42                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
