COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.293  -1.258  -0.119  1.00  0.00           O  
HETATM    2  S   UNL     1      -4.867  -0.213  -0.983  1.00  0.00           S  
HETATM    3  O   UNL     1      -5.411  -0.073  -2.288  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.885   1.379  -0.112  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.331   1.781   0.186  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.346   3.123   0.920  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.261  -0.525  -1.240  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.387  -0.639  -0.152  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.084  -0.172  -0.258  1.00  0.00           C  
HETATM   10  F   UNL     1      -0.658   0.393  -1.408  1.00  0.00           F  
HETATM   11  C   UNL     1      -2.826  -1.214   1.033  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.969  -1.329   2.112  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.668  -0.874   2.019  1.00  0.00           C  
HETATM   14  F   UNL     1       0.166  -0.989   3.076  1.00  0.00           F  
HETATM   15  C   UNL     1      -0.216  -0.288   0.832  1.00  0.00           C  
HETATM   16  C   UNL     1       1.172   0.206   0.729  1.00  0.00           C  
HETATM   17  O   UNL     1       1.450   1.325   1.120  1.00  0.00           O  
HETATM   18  C   UNL     1       2.216  -0.652   0.157  1.00  0.00           C  
HETATM   19  C   UNL     1       2.083  -1.954  -0.234  1.00  0.00           C  
HETATM   20  C   UNL     1       3.615  -0.278  -0.117  1.00  0.00           C  
HETATM   21  C   UNL     1       4.362   0.886   0.050  1.00  0.00           C  
HETATM   22  C   UNL     1       4.224  -1.423  -0.660  1.00  0.00           C  
HETATM   23  N   UNL     1       3.266  -2.411  -0.714  1.00  0.00           N  
HETATM   24  N   UNL     1       5.503  -1.385  -1.009  1.00  0.00           N  
HETATM   25  C   UNL     1       6.229  -0.297  -0.862  1.00  0.00           C  
HETATM   26  C   UNL     1       5.693   0.866  -0.333  1.00  0.00           C  
HETATM   27 CL   UNL     1       6.678   2.284  -0.152  1.00  0.00          Cl  
HETATM   28  H   UNL     1      -4.333   1.288   0.823  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.418   2.140  -0.737  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.883   1.872  -0.750  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.798   1.020   0.811  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.794   3.032   1.855  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.879   3.884   0.295  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.376   3.410   1.132  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.927  -0.629  -2.145  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.842  -1.573   1.113  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.318  -1.777   3.031  1.00  0.00           H  
HETATM   38  H   UNL     1       1.174  -2.532  -0.170  1.00  0.00           H  
HETATM   39  H   UNL     1       3.915   1.778   0.465  1.00  0.00           H  
HETATM   40  H   UNL     1       7.268  -0.311  -1.159  1.00  0.00           H  
HETATM   41  H   UNL     1       3.415  -3.308  -1.050  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    7                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   28   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5   32   33   34                                       
CONECT    7    2    8   35                                            
CONECT    8    7    9    9   11                                       
CONECT    9    8    8   10   15                                       
CONECT   10    9                                                      
CONECT   11    8   12   12   36                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13                                                      
CONECT   15    9   13   13   16                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   19   20                                       
CONECT   19   18   18   23   38                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20   26   39                                       
CONECT   22   20   23   24   24                                       
CONECT   23   19   22   41                                            
CONECT   24   22   22   25                                            
CONECT   25   24   26   26   40                                       
CONECT   26   21   25   25   27                                       
CONECT   27   26                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   25                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
