COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.642  -0.837  -1.091  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.340  -1.974  -0.724  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.448  -2.295   0.626  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.146  -3.434   1.009  1.00  0.00           N  
HETATM    5  N   UNL     1      -5.891  -1.525   1.548  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.220  -0.435   1.227  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.070  -0.060  -0.093  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.171   1.398  -0.507  1.00  0.00           S  
HETATM    9  O   UNL     1      -4.640   1.810  -1.783  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.210   2.233   0.643  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.486   0.928  -0.724  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.272   0.901   0.548  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.941   0.534  -1.878  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.601   0.213  -1.812  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.050   0.346  -0.589  1.00  0.00           C  
HETATM   16  C   UNL     1       1.361   0.065  -0.254  1.00  0.00           C  
HETATM   17  C   UNL     1       2.013   0.841   0.708  1.00  0.00           C  
HETATM   18  C   UNL     1       3.336   0.564   1.010  1.00  0.00           C  
HETATM   19 CL   UNL     1       1.177   2.132   1.513  1.00  0.00          Cl  
HETATM   20  N   UNL     1       2.000  -0.926  -0.867  1.00  0.00           N  
HETATM   21  C   UNL     1       3.258  -1.208  -0.596  1.00  0.00           C  
HETATM   22  C   UNL     1       3.965  -0.477   0.341  1.00  0.00           C  
HETATM   23  C   UNL     1       5.404  -0.812   0.638  1.00  0.00           C  
HETATM   24  C   UNL     1       6.262  -0.509  -0.592  1.00  0.00           C  
HETATM   25  F   UNL     1       7.612  -0.701  -0.277  1.00  0.00           F  
HETATM   26  F   UNL     1       5.900  -1.368  -1.635  1.00  0.00           F  
HETATM   27  F   UNL     1       6.059   0.817  -0.988  1.00  0.00           F  
HETATM   28  C   UNL     1       5.520  -2.296   0.989  1.00  0.00           C  
HETATM   29  O   UNL     1       5.858  -0.024   1.741  1.00  0.00           O  
HETATM   30  H   UNL     1      -5.542  -0.563  -2.131  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.795  -2.603  -1.474  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.555  -4.001   0.337  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.224  -3.662   1.949  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.780   0.169   2.007  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.507   0.470  -2.796  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.039  -0.121  -2.672  1.00  0.00           H  
HETATM   37  H   UNL     1       3.866   1.146   1.748  1.00  0.00           H  
HETATM   38  H   UNL     1       3.745  -2.021  -1.114  1.00  0.00           H  
HETATM   39  H   UNL     1       5.174  -2.897   0.148  1.00  0.00           H  
HETATM   40  H   UNL     1       6.561  -2.538   1.204  1.00  0.00           H  
HETATM   41  H   UNL     1       4.909  -2.511   1.865  1.00  0.00           H  
HETATM   42  H   UNL     1       5.812   0.929   1.588  1.00  0.00           H  
CONECT    1    7    7    2   30                                       
CONECT    2    3    3    1   31                                       
CONECT    3    5    4    2    2                                       
CONECT    4    3   32   33                                            
CONECT    5    6    6    3                                            
CONECT    6    5    5    7   34                                       
CONECT    7    6    8    1    1                                       
CONECT    8   10   10    7    9                                       
CONECT    8    9   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   13   13                                       
CONECT   12   11   15                                                 
CONECT   13   11   11   14   35                                       
CONECT   14   13   15   15   36                                       
CONECT   15   12   14   14   16                                       
CONECT   16   15   17   17   20                                       
CONECT   17   19   16   16   18                                       
CONECT   18   17   22   22   37                                       
CONECT   19   17                                                      
CONECT   20   16   21   21                                            
CONECT   21   20   20   22   38                                       
CONECT   22   18   18   21   23                                       
CONECT   23   22   29   24   28                                       
CONECT   24   26   23   27   25                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   23   39   40   41                                       
CONECT   29   23   42                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   28                                                      
CONECT   40   28                                                      
CONECT   41   28                                                      
CONECT   42   29                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
