COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.969  -2.381   0.004  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.346  -2.313   0.389  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.993  -1.133  -0.348  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.303   0.063   0.027  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.941   0.014   0.016  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.273  -1.209   0.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.892  -1.248   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.160  -0.058   0.001  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.829   0.218  -0.005  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.648   1.516  -0.002  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.858   2.152   0.006  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.838   1.171   0.008  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.224   1.199   0.016  1.00  0.00           C  
HETATM   14  S   UNL     1      -1.081   2.320  -0.006  1.00  0.00           S  
HETATM   15  C   UNL     1       0.013   0.878  -0.016  1.00  0.00           C  
HETATM   16  C   UNL     1       1.448   1.336  -0.022  1.00  0.00           C  
HETATM   17  O   UNL     1       1.707   2.521  -0.018  1.00  0.00           O  
HETATM   18  C   UNL     1       2.536   0.346  -0.030  1.00  0.00           C  
HETATM   19  C   UNL     1       3.870   0.768  -0.035  1.00  0.00           C  
HETATM   20  C   UNL     1       4.884  -0.166  -0.042  1.00  0.00           C  
HETATM   21  C   UNL     1       4.585  -1.518  -0.046  1.00  0.00           C  
HETATM   22  C   UNL     1       3.266  -1.943  -0.042  1.00  0.00           C  
HETATM   23  C   UNL     1       2.242  -1.022  -0.028  1.00  0.00           C  
HETATM   24  S   UNL     1       6.565   0.363  -0.048  1.00  0.00           S  
HETATM   25  O   UNL     1       7.214  -0.374  -1.075  1.00  0.00           O  
HETATM   26 CL   UNL     1       5.869  -2.687  -0.056  1.00  0.00          Cl  
HETATM   27  O   UNL     1       6.539   1.783  -0.009  1.00  0.00           O  
HETATM   28  N   UNL     1       7.240  -0.132   1.381  1.00  0.00           N  
HETATM   29  H   UNL     1      -8.850  -3.240   0.115  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.419  -2.158   1.466  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.911  -1.283  -1.425  1.00  0.00           H  
HETATM   32  H   UNL     1     -10.043  -1.055  -0.067  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.378  -2.198  -0.006  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.003   3.111   0.010  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.745   2.145   0.021  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.173   0.275   0.872  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.181   0.281  -0.908  1.00  0.00           H  
HETATM   38  H   UNL     1       4.104   1.822  -0.033  1.00  0.00           H  
HETATM   39  H   UNL     1       3.040  -3.000  -0.045  1.00  0.00           H  
HETATM   40  H   UNL     1       1.214  -1.354  -0.020  1.00  0.00           H  
HETATM   41  H   UNL     1       6.704  -0.619   2.027  1.00  0.00           H  
HETATM   42  H   UNL     1       8.170   0.064   1.572  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   29   30                                       
CONECT    3    2    4   31   32                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   13                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8   33                                       
CONECT    8    7    7    9   12                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   14                                       
CONECT   11   10   12   34                                            
CONECT   12    8   11   13   13                                       
CONECT   13    5   12   12   35                                       
CONECT   14   10   15                                                 
CONECT   15   14   16   36   37                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   19   23                                       
CONECT   19   18   18   20   38                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   22   26                                       
CONECT   22   21   23   23   39                                       
CONECT   23   18   22   22   40                                       
CONECT   24   20   25   25   27                                       
CONECT   24   27   28                                                 
CONECT   25   24   24                                                 
CONECT   26   21                                                      
CONECT   27   24   24                                                 
CONECT   28   24   41   42                                            
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
