COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.816  -0.030   1.964  1.00  0.00           C  
HETATM    2  N   UNL     1       1.840   0.010   2.804  1.00  0.00           N  
HETATM    3  C   UNL     1       1.639   0.001   4.118  1.00  0.00           C  
HETATM    4  C   UNL     1       0.331  -0.050   4.604  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.708  -0.091   3.694  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.436  -0.075   2.396  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.589  -0.082  -4.632  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.753  -0.129  -3.880  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.695  -0.132  -2.563  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.553  -0.082  -1.900  1.00  0.00           C  
HETATM   11  C   UNL     1       0.645  -0.033  -2.557  1.00  0.00           C  
HETATM   12  C   UNL     1       0.644  -0.033  -3.953  1.00  0.00           C  
HETATM   13  C   UNL     1       1.666   0.009  -4.999  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.318  -0.070  -5.950  1.00  0.00           O  
HETATM   15  C   UNL     1       1.007  -0.016  -6.167  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.571  -0.084  -0.393  1.00  0.00           C  
HETATM   17  S   UNL     1       1.126  -0.016   0.230  1.00  0.00           S  
HETATM   18  N   UNL     1       2.712   0.044   4.993  1.00  0.00           N  
HETATM   19 CL   UNL     1      -2.354  -0.157   4.244  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -1.347   1.134   0.108  1.00  0.00           C  
HETATM   21  H   UNL     1       0.136  -0.059   5.666  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.712  -0.167  -4.376  1.00  0.00           H  
HETATM   23  H   UNL     1       1.574   0.003  -2.007  1.00  0.00           H  
HETATM   24  H   UNL     1       2.736   0.052  -4.858  1.00  0.00           H  
HETATM   25  H   UNL     1       1.474   0.003  -7.141  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.053  -0.994  -0.037  1.00  0.00           H  
HETATM   27  H   UNL     1       3.618   0.080   4.648  1.00  0.00           H  
HETATM   28  H   UNL     1       2.558   0.037   5.951  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.865   2.045  -0.247  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.370   1.094  -0.267  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.361   1.133   1.198  1.00  0.00           H  
CONECT    1    2    2    6   17                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4   18                                       
CONECT    4    3    3    5   21                                       
CONECT    5    4    6    6   19                                       
CONECT    6    1    5    5                                            
CONECT    7    8    8   12   14                                       
CONECT    8    7    7    9   22                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   16                                       
CONECT   11   10   12   12   23                                       
CONECT   12    7   11   11   13                                       
CONECT   13   12   15   15   24                                       
CONECT   14    7   15                                                 
CONECT   15   13   13   14   25                                       
CONECT   16   10   17   20   26                                       
CONECT   17    1   16                                                 
CONECT   18    3   27   28                                            
CONECT   19    5                                                      
CONECT   20   16   29   30   31                                       
CONECT   21    4                                                      
CONECT   22    8                                                      
CONECT   23   11                                                      
CONECT   24   13                                                      
CONECT   25   15                                                      
CONECT   26   16                                                      
CONECT   27   18                                                      
CONECT   28   18                                                      
CONECT   29   20                                                      
CONECT   30   20                                                      
CONECT   31   20                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
