COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.391   0.242   0.674  1.00  0.00           C  
HETATM    2  C   UNL     1       2.621   1.263   1.597  1.00  0.00           C  
HETATM    3  C   UNL     1       3.106   2.481   1.168  1.00  0.00           C  
HETATM    4  C   UNL     1       3.365   2.691  -0.176  1.00  0.00           C  
HETATM    5  C   UNL     1       3.139   1.682  -1.097  1.00  0.00           C  
HETATM    6  C   UNL     1       2.658   0.458  -0.679  1.00  0.00           C  
HETATM    7  C   UNL     1       1.520  -2.093   0.149  1.00  0.00           C  
HETATM    8  C   UNL     1       0.141  -3.190  -1.369  1.00  0.00           C  
HETATM    9  C   UNL     1       2.371  -3.101  -0.235  1.00  0.00           C  
HETATM   10  C   UNL     1       0.231  -2.161  -0.521  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.868  -1.194  -0.287  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.505  -0.583  -1.366  1.00  0.00           C  
HETATM   13  N   UNL     1       3.653  -3.267   0.247  1.00  0.00           N  
HETATM   14  C   UNL     1       1.871  -1.066   1.128  1.00  0.00           C  
HETATM   15  O   UNL     1       1.735  -1.287   2.318  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.526   0.317  -1.142  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.216   0.977  -2.308  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.919   0.613   0.151  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.290   0.011   1.226  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.728   0.336   2.631  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.271  -0.895   1.014  1.00  0.00           C  
HETATM   22  F   UNL     1      -3.666   2.245  -1.926  1.00  0.00           F  
HETATM   23  F   UNL     1      -2.316   1.102  -3.372  1.00  0.00           F  
HETATM   24  F   UNL     1      -4.306   0.197  -2.708  1.00  0.00           F  
HETATM   25  F   UNL     1      -2.522  -0.778   3.452  1.00  0.00           F  
HETATM   26  F   UNL     1      -1.982   1.416   3.115  1.00  0.00           F  
HETATM   27  F   UNL     1      -4.087   0.670   2.631  1.00  0.00           F  
HETATM   28  S   UNL     1       1.631  -4.117  -1.384  1.00  0.00           S  
HETATM   29 CL   UNL     1       3.976   4.227  -0.709  1.00  0.00          Cl  
HETATM   30  H   UNL     1       2.419   1.101   2.645  1.00  0.00           H  
HETATM   31  H   UNL     1       3.285   3.272   1.881  1.00  0.00           H  
HETATM   32  H   UNL     1       3.342   1.851  -2.144  1.00  0.00           H  
HETATM   33  H   UNL     1       2.482  -0.328  -1.398  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.729  -3.420  -1.965  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.199  -0.814  -2.376  1.00  0.00           H  
HETATM   36  H   UNL     1       3.984  -2.693   0.955  1.00  0.00           H  
HETATM   37  H   UNL     1       4.223  -3.959  -0.123  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.720   1.318   0.321  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.781  -1.364   1.854  1.00  0.00           H  
CONECT    1    2    2    6   14                                       
CONECT    2    3    1    1   30                                       
CONECT    3    4    4    2   31                                       
CONECT    4   29    3    3    5                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    1   33                                       
CONECT    7   14   10    9    9                                       
CONECT    8   10   10   28   34                                       
CONECT    9    7    7   13   28                                       
CONECT   10   11    7    8    8                                       
CONECT   11   21   10   12   12                                       
CONECT   12   11   11   16   35                                       
CONECT   13    9   36   37                                            
CONECT   14    1   15   15    7                                       
CONECT   15   14   14                                                 
CONECT   16   18   18   12   17                                       
CONECT   17   23   16   24   22                                       
CONECT   18   19   16   16   38                                       
CONECT   19   20   21   21   18                                       
CONECT   20   27   25   26   19                                       
CONECT   21   19   19   11   39                                       
CONECT   22   17                                                      
CONECT   23   17                                                      
CONECT   24   17                                                      
CONECT   25   20                                                      
CONECT   26   20                                                      
CONECT   27   20                                                      
CONECT   28    9    8                                                 
CONECT   29    4                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
