COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.161   2.563  -0.172  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.421   3.115  -0.053  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.543   2.308  -0.138  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.403   0.945  -0.342  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.145   0.389  -0.461  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.626   0.069  -0.432  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.468   0.519  -1.628  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.139  -3.572  -0.526  1.00  0.00           N  
HETATM    9  N   UNL     1       1.257   0.637  -0.504  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.694  -2.371  -0.146  1.00  0.00           C  
HETATM   11  N   UNL     1       3.781  -0.601  -0.601  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.652  -0.714   0.787  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.449   0.239   0.839  1.00  0.00           C  
HETATM   14  C   UNL     1       2.286   1.133   0.211  1.00  0.00           C  
HETATM   15  C   UNL     1       3.612   0.477   0.155  1.00  0.00           C  
HETATM   16  C   UNL     1       4.941  -1.214  -0.679  1.00  0.00           C  
HETATM   17  C   UNL     1       6.040  -0.753   0.032  1.00  0.00           C  
HETATM   18  C   UNL     1       5.906   0.371   0.835  1.00  0.00           C  
HETATM   19  F   UNL     1      -3.774   2.850  -0.020  1.00  0.00           F  
HETATM   20  S   UNL     1      -5.031  -2.404   0.995  1.00  0.00           S  
HETATM   21  N   UNL     1      -3.205  -1.299  -0.646  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.019   1.197  -0.377  1.00  0.00           C  
HETATM   23  O   UNL     1       2.125   2.121   0.902  1.00  0.00           O  
HETATM   24  C   UNL     1       4.671   0.996   0.897  1.00  0.00           C  
HETATM   25 CL   UNL     1       7.565  -1.574  -0.080  1.00  0.00          Cl  
HETATM   26  H   UNL     1       0.714   3.194  -0.110  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.532   4.178   0.106  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.037  -0.674  -0.620  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.880   0.428  -2.541  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.356  -0.109  -1.704  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.768   1.558  -1.490  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.487  -4.402  -0.166  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.400  -3.588  -1.154  1.00  0.00           H  
HETATM   34  H   UNL     1       1.401  -0.110  -1.106  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.347  -0.474   1.591  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.155  -0.621  -0.176  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.833   0.002   1.707  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.802   1.268   0.910  1.00  0.00           H  
HETATM   39  H   UNL     1       5.041  -2.089  -1.304  1.00  0.00           H  
HETATM   40  H   UNL     1       6.746   0.750   1.399  1.00  0.00           H  
HETATM   41  H   UNL     1       4.532   1.873   1.511  1.00  0.00           H  
CONECT    1    2   22   22   26                                       
CONECT    2    3    3    1   27                                       
CONECT    3   19    2    2    4                                       
CONECT    4    3    6    5    5                                       
CONECT    5    4    4   22   28                                       
CONECT    6   13    7    4   21                                       
CONECT    7    6   29   30   31                                       
CONECT    8   10   32   33                                            
CONECT    9   22   14   34                                            
CONECT   10   20   21   21    8                                       
CONECT   11   15   16   16                                            
CONECT   12   13   20   35   36                                       
CONECT   13   12    6   37   38                                       
CONECT   14    9   23   23   15                                       
CONECT   15   14   24   24   11                                       
CONECT   16   11   11   17   39                                       
CONECT   17   18   18   16   25                                       
CONECT   18   24   17   17   40                                       
CONECT   19    3                                                      
CONECT   20   12   10                                                 
CONECT   21    6   10   10                                            
CONECT   22    1    1    5    9                                       
CONECT   23   14   14                                                 
CONECT   24   15   15   18   41                                       
CONECT   25   17                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
