COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.580   0.913   0.065  1.00  0.00           N  
HETATM    2  C   UNL     1       1.887  -0.288  -0.980  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.268  -0.784  -0.045  1.00  0.00           C  
HETATM    4  C   UNL     1       0.326  -1.683   0.839  1.00  0.00           C  
HETATM    5  C   UNL     1       1.692  -1.877   0.807  1.00  0.00           C  
HETATM    6  O   UNL     1       4.589  -1.112  -1.468  1.00  0.00           O  
HETATM    7  S   UNL     1       4.214  -1.435  -0.136  1.00  0.00           S  
HETATM    8  O   UNL     1       4.388  -2.750   0.375  1.00  0.00           O  
HETATM    9  C   UNL     1       4.874  -0.208   1.026  1.00  0.00           C  
HETATM   10  C   UNL     1       2.471  -1.181  -0.100  1.00  0.00           C  
HETATM   11  C   UNL     1       0.522  -0.085  -0.957  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.735  -0.571  -0.015  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.611  -1.658  -0.041  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.973  -1.407  -0.011  1.00  0.00           C  
HETATM   15 CL   UNL     1      -5.106  -2.722  -0.040  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -4.424  -0.098   0.042  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.267   0.727   0.039  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.357   1.896   0.066  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.709   3.086  -0.578  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.824   4.149  -0.522  1.00  0.00           C  
HETATM   21  C   UNL     1       0.369   4.001   0.161  1.00  0.00           C  
HETATM   22  C   UNL     1       1.336   5.155   0.224  1.00  0.00           C  
HETATM   23  N   UNL     1       0.674   2.865   0.760  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.138   1.829   0.740  1.00  0.00           C  
HETATM   25  H   UNL     1       2.500   0.255  -1.683  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.281  -2.227   1.548  1.00  0.00           H  
HETATM   27  H   UNL     1       2.154  -2.574   1.491  1.00  0.00           H  
HETATM   28  H   UNL     1       4.602   0.793   0.691  1.00  0.00           H  
HETATM   29  H   UNL     1       4.457  -0.386   2.017  1.00  0.00           H  
HETATM   30  H   UNL     1       5.960  -0.295   1.068  1.00  0.00           H  
HETATM   31  H   UNL     1       0.067   0.613  -1.644  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.236  -2.670  -0.083  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.486   0.097   0.065  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.647   3.174  -1.105  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.062   5.083  -1.008  1.00  0.00           H  
HETATM   36  H   UNL     1       1.117   5.766   1.100  1.00  0.00           H  
HETATM   37  H   UNL     1       2.354   4.773   0.294  1.00  0.00           H  
HETATM   38  H   UNL     1       1.236   5.762  -0.676  1.00  0.00           H  
HETATM   39  H   UNL     1       0.145   0.917   1.245  1.00  0.00           H  
CONECT    1   16   16   17                                            
CONECT    2   10   10   11   25                                       
CONECT    3    4   11   11   12                                       
CONECT    4    3    5    5   26                                       
CONECT    5    4    4   10   27                                       
CONECT    6    7    7                                                 
CONECT    7    6    6    8    8                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7   28   29   30                                       
CONECT   10    2    2    5    7                                       
CONECT   11    2    3    3   31                                       
CONECT   12    3   13   17   17                                       
CONECT   13   12   14   14   32                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14                                                      
CONECT   16    1    1   14   33                                       
CONECT   17    1   12   12   18                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   34                                       
CONECT   20   19   21   21   35                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21   36   37   38                                       
CONECT   23   21   24   24                                            
CONECT   24   18   23   23   39                                       
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
