COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.261  -0.573  -3.792  1.00  0.00           C  
HETATM    2  N   UNL     1       4.352  -0.140  -2.727  1.00  0.00           N  
HETATM    3  C   UNL     1       4.209  -0.890  -1.617  1.00  0.00           C  
HETATM    4  O   UNL     1       4.835  -1.926  -1.498  1.00  0.00           O  
HETATM    5  C   UNL     1       3.299  -0.456  -0.551  1.00  0.00           C  
HETATM    6  C   UNL     1       3.602   0.345   0.537  1.00  0.00           C  
HETATM    7  O   UNL     1       2.500   0.515   1.286  1.00  0.00           O  
HETATM    8  C   UNL     1       1.442  -0.137   0.760  1.00  0.00           C  
HETATM    9  C   UNL     1       0.118  -0.259   1.161  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.767  -1.012   0.406  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.026  -0.161   0.453  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.155   0.048   1.241  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.070   1.000   0.893  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.359   1.448   1.529  1.00  0.00           C  
HETATM   15 CL   UNL     1      -3.492   2.525  -2.476  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -3.737   1.570  -1.046  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.819   0.604  -0.692  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.871   1.767  -0.258  1.00  0.00           C  
HETATM   19  B   UNL     1      -6.089   2.753  -0.365  1.00  0.00           B  
HETATM   20  O   UNL     1      -6.306   3.720  -1.381  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.934   2.493   0.748  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.099  -1.131   0.814  1.00  0.00           N  
HETATM   23  S   UNL     1      -2.572  -2.429   1.727  1.00  0.00           S  
HETATM   24  O   UNL     1      -1.566  -3.406   1.494  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.494  -1.831   3.438  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.919  -2.658   1.339  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.340  -1.649  -0.757  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.314  -2.464  -1.569  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.051  -3.967  -1.688  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.815  -3.050  -2.891  1.00  0.00           C  
HETATM   31  C   UNL     1       0.970  -1.536  -1.166  1.00  0.00           C  
HETATM   32  C   UNL     1       1.864  -0.777  -0.416  1.00  0.00           C  
HETATM   33  C   UNL     1       4.928   0.921   0.829  1.00  0.00           C  
HETATM   34  C   UNL     1       6.003   0.677  -0.030  1.00  0.00           C  
HETATM   35  C   UNL     1       7.240   1.217   0.247  1.00  0.00           C  
HETATM   36  C   UNL     1       5.114   1.717   1.962  1.00  0.00           C  
HETATM   37  C   UNL     1       6.355   2.252   2.229  1.00  0.00           C  
HETATM   38  C   UNL     1       7.419   2.002   1.376  1.00  0.00           C  
HETATM   39  F   UNL     1       8.634   2.529   1.644  1.00  0.00           F  
HETATM   40  H   UNL     1       4.942  -1.544  -4.169  1.00  0.00           H  
HETATM   41  H   UNL     1       5.244   0.156  -4.603  1.00  0.00           H  
HETATM   42  H   UNL     1       6.273  -0.651  -3.395  1.00  0.00           H  
HETATM   43  H   UNL     1       3.852   0.686  -2.822  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.221   0.231   2.061  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.308  -0.546   2.131  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.052   0.607   1.579  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.160   1.814   2.536  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.939   0.446  -1.297  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.118   4.233  -1.270  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.094  -0.927   3.534  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.882  -2.598   4.108  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.459  -1.610   3.699  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.353  -2.137  -1.523  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.173  -4.366  -1.179  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.916  -4.628  -1.721  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.525  -3.109  -3.715  1.00  0.00           H  
HETATM   57  H   UNL     1       0.218  -2.846  -3.174  1.00  0.00           H  
HETATM   58  H   UNL     1       1.301  -2.030  -2.068  1.00  0.00           H  
HETATM   59  H   UNL     1       5.865   0.065  -0.910  1.00  0.00           H  
HETATM   60  H   UNL     1       8.072   1.029  -0.415  1.00  0.00           H  
HETATM   61  H   UNL     1       4.285   1.913   2.627  1.00  0.00           H  
HETATM   62  H   UNL     1       6.500   2.868   3.105  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    3    1   43                                            
CONECT    3    4    4    5    2                                       
CONECT    4    3    3                                                 
CONECT    5   32    3    6    6                                       
CONECT    6    5    5    7   33                                       
CONECT    7    8    6                                                 
CONECT    8    9    9   32    7                                       
CONECT    9   10    8    8   44                                       
CONECT   10   22   27   27    9                                       
CONECT   11   17   17   12   22                                       
CONECT   12   13   13   11   45                                       
CONECT   13   18   14   12   12                                       
CONECT   14   21   13   46   47                                       
CONECT   15   16                                                      
CONECT   16   15   18   18   17                                       
CONECT   17   16   11   11   48                                       
CONECT   18   19   16   16   13                                       
CONECT   19   20   21   18                                            
CONECT   20   19   49                                                 
CONECT   21   19   14                                                 
CONECT   22   11   23   10                                            
CONECT   23   26   26   22   25                                       
CONECT   23   24   24                                                 
CONECT   24   23   23                                                 
CONECT   25   23   50   51   52                                       
CONECT   26   23   23                                                 
CONECT   27   28   10   10   31                                       
CONECT   28   30   29   27   53                                       
CONECT   29   30   28   54   55                                       
CONECT   30   29   28   56   57                                       
CONECT   31   27   32   32   58                                       
CONECT   32   31   31    8    5                                       
CONECT   33    6   36   36   34                                       
CONECT   34   33   35   35   59                                       
CONECT   35   34   34   38   60                                       
CONECT   36   33   33   37   61                                       
CONECT   37   36   38   38   62                                       
CONECT   38   37   37   35   39                                       
CONECT   39   38                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
