COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.990  -2.790   2.843  1.00  0.00           C  
HETATM    2 CL   UNL     1       9.165  -3.360  -0.052  1.00  0.00          Cl  
HETATM    3  C   UNL     1      -4.879  -1.456   2.103  1.00  0.00           C  
HETATM    4 CL   UNL     1       7.866   1.872   0.301  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -3.443  -1.264   1.611  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.286   0.145   1.034  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.723   1.175   2.078  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.821   0.384   0.664  1.00  0.00           C  
HETATM    9  S   UNL     1      -1.607   2.100   0.119  1.00  0.00           S  
HETATM   10  O   UNL     1      -2.264   2.315  -1.122  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.786   2.995   1.208  1.00  0.00           O  
HETATM   12  N   UNL     1       0.004   2.220  -0.246  1.00  0.00           N  
HETATM   13  C   UNL     1       0.488   1.927  -1.602  1.00  0.00           C  
HETATM   14  C   UNL     1       1.606   0.884  -1.512  1.00  0.00           C  
HETATM   15  C   UNL     1       2.689   1.384  -0.552  1.00  0.00           C  
HETATM   16  C   UNL     1       2.089   1.571   0.843  1.00  0.00           C  
HETATM   17  C   UNL     1       0.976   2.628   0.778  1.00  0.00           C  
HETATM   18  O   UNL     1       3.749   0.428  -0.490  1.00  0.00           O  
HETATM   19  C   UNL     1       5.032   0.998  -0.227  1.00  0.00           C  
HETATM   20  C   UNL     1       6.069  -0.094  -0.183  1.00  0.00           C  
HETATM   21  C   UNL     1       5.695  -1.410  -0.385  1.00  0.00           C  
HETATM   22  C   UNL     1       6.646  -2.413  -0.346  1.00  0.00           C  
HETATM   23  C   UNL     1       7.971  -2.101  -0.103  1.00  0.00           C  
HETATM   24  C   UNL     1       8.346  -0.784   0.100  1.00  0.00           C  
HETATM   25  C   UNL     1       7.395   0.220   0.054  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.120   0.278  -0.163  1.00  0.00           N  
HETATM   27  O   UNL     1      -5.141   1.258  -0.209  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.915  -0.532  -1.221  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.606  -0.421  -2.212  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.818  -1.455   0.925  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.768  -0.543   0.863  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.612  -0.510  -0.155  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.486  -1.453  -1.166  1.00  0.00           C  
HETATM   34  F   UNL     1      -8.328  -1.452  -2.223  1.00  0.00           F  
HETATM   35  C   UNL     1      -6.473  -2.398  -1.064  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.665  -2.363  -0.018  1.00  0.00           N  
HETATM   37  H   UNL     1      -4.356  -2.768   3.730  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.025  -2.955   3.142  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.668  -3.598   2.186  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.143  -0.642   2.779  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.753  -1.394   2.444  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.223  -2.000   0.838  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.059   1.122   2.940  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.676   2.174   1.644  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.745   0.963   2.392  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.191   0.197   1.534  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.535  -0.292  -0.142  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.330   1.534  -2.205  1.00  0.00           H  
HETATM   49  H   UNL     1       0.875   2.839  -2.057  1.00  0.00           H  
HETATM   50  H   UNL     1       1.198  -0.056  -1.141  1.00  0.00           H  
HETATM   51  H   UNL     1       2.039   0.728  -2.500  1.00  0.00           H  
HETATM   52  H   UNL     1       3.080   2.336  -0.911  1.00  0.00           H  
HETATM   53  H   UNL     1       1.676   0.625   1.192  1.00  0.00           H  
HETATM   54  H   UNL     1       2.866   1.905   1.531  1.00  0.00           H  
HETATM   55  H   UNL     1       1.402   3.596   0.513  1.00  0.00           H  
HETATM   56  H   UNL     1       0.479   2.698   1.745  1.00  0.00           H  
HETATM   57  H   UNL     1       5.284   1.707  -1.016  1.00  0.00           H  
HETATM   58  H   UNL     1       5.009   1.516   0.733  1.00  0.00           H  
HETATM   59  H   UNL     1       4.660  -1.654  -0.574  1.00  0.00           H  
HETATM   60  H   UNL     1       6.353  -3.440  -0.504  1.00  0.00           H  
HETATM   61  H   UNL     1       9.381  -0.540   0.290  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.638   1.270  -1.038  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.136  -1.279  -1.186  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.387   0.240  -0.200  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.345  -3.147  -1.831  1.00  0.00           H  
CONECT    1    3   37   38   39                                       
CONECT    2   23                                                      
CONECT    3    1    5   30   40                                       
CONECT    4   25                                                      
CONECT    5    3    6   41   42                                       
CONECT    6    5    7    8   26                                       
CONECT    7    6   43   44   45                                       
CONECT    8    6    9   46   47                                       
CONECT    9    8   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   17                                            
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   18   52                                       
CONECT   16   15   17   53   54                                       
CONECT   17   12   16   55   56                                       
CONECT   18   15   19                                                 
CONECT   19   18   20   57   58                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   59                                       
CONECT   22   21   23   23   60                                       
CONECT   23    2   22   22   24                                       
CONECT   24   23   25   25   61                                       
CONECT   25    4   20   24   24                                       
CONECT   26    6   27   28                                            
CONECT   27   26   62                                                 
CONECT   28   26   29   29   63                                       
CONECT   29   28   28                                                 
CONECT   30    3   31   31   36                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   64                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33                                                      
CONECT   35   33   36   36   65                                       
CONECT   36   30   35   35                                            
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
