COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.897   1.572  -0.424  1.00  0.00           O  
HETATM    2  S   UNL     1       4.099   1.162   0.678  1.00  0.00           S  
HETATM    3  N   UNL     1       5.070   0.220   1.633  1.00  0.00           N  
HETATM    4  O   UNL     1       3.446   2.077   1.548  1.00  0.00           O  
HETATM    5  C   UNL     1       2.842   0.117   0.021  1.00  0.00           C  
HETATM    6  C   UNL     1       1.524   0.324   0.368  1.00  0.00           C  
HETATM    7  C   UNL     1       3.179  -0.909  -0.847  1.00  0.00           C  
HETATM    8 CL   UNL     1       4.840  -1.160  -1.284  1.00  0.00          Cl  
HETATM    9  C   UNL     1       2.197  -1.734  -1.367  1.00  0.00           C  
HETATM   10  C   UNL     1       0.875  -1.540  -1.024  1.00  0.00           C  
HETATM   11  C   UNL     1       0.528  -0.501  -0.158  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.886  -0.288   0.215  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.186   0.617   0.969  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.843  -1.096  -0.281  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.184  -0.894   0.072  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.937  -1.722   1.017  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.283  -1.680   2.399  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.995   0.130  -0.420  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.273   0.072   0.113  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.341  -1.098   1.069  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.686   1.143  -1.331  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.642   2.069  -1.691  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.914   2.002  -1.152  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.227   1.001  -0.251  1.00  0.00           C  
HETATM   25  H   UNL     1       5.829   0.614   2.091  1.00  0.00           H  
HETATM   26  H   UNL     1       4.880  -0.725   1.735  1.00  0.00           H  
HETATM   27  H   UNL     1       1.262   1.124   1.046  1.00  0.00           H  
HETATM   28  H   UNL     1       2.466  -2.532  -2.044  1.00  0.00           H  
HETATM   29  H   UNL     1       0.110  -2.184  -1.430  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.604  -1.818  -0.883  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.993  -2.750   0.657  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.243  -0.649   2.750  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.868  -2.279   3.097  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.272  -2.081   2.335  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.090  -1.816   0.734  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.568  -0.756   2.079  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.695   1.201  -1.755  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.397   2.850  -2.395  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.661   2.728  -1.436  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.220   0.947   0.170  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    1    1                                       
CONECT    2    4    4                                                 
CONECT    3    2   25   26                                            
CONECT    4    2    2                                                 
CONECT    5    6    6    7    2                                       
CONECT    6   11    5    5   27                                       
CONECT    7    9    9    5    8                                       
CONECT    8    7                                                      
CONECT    9   10    7    7   28                                       
CONECT   10   11   11    9   29                                       
CONECT   11   12   10   10    6                                       
CONECT   12   14   13   13   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   30                                            
CONECT   15   16   18   14                                            
CONECT   16   17   20   15   31                                       
CONECT   17   16   32   33   34                                       
CONECT   18   19   15   21   21                                       
CONECT   19   20   24   24   18                                       
CONECT   20   16   19   35   36                                       
CONECT   21   18   18   22   37                                       
CONECT   22   23   23   21   38                                       
CONECT   23   24   22   22   39                                       
CONECT   24   19   19   23   40                                       
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   14                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
