COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.487   1.578  -0.584  1.00  0.00           C  
HETATM    2  C   UNL     1       3.212   1.245  -0.084  1.00  0.00           C  
HETATM    3  C   UNL     1       2.934  -0.056   0.317  1.00  0.00           C  
HETATM    4  C   UNL     1       5.463   0.642  -0.682  1.00  0.00           C  
HETATM    5  C   UNL     1       5.213  -0.686  -0.284  1.00  0.00           C  
HETATM    6  C   UNL     1       3.934  -1.033   0.221  1.00  0.00           C  
HETATM    7  N   UNL     1       6.165  -1.618  -0.376  1.00  0.00           N  
HETATM    8  C   UNL     1       5.945  -2.858  -0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       3.694  -2.364   0.617  1.00  0.00           C  
HETATM   10  C   UNL     1       4.712  -3.266   0.494  1.00  0.00           C  
HETATM   11  C   UNL     1       2.172   2.278   0.013  1.00  0.00           C  
HETATM   12  C   UNL     1       0.864   1.921   0.067  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.307   2.783   0.302  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.461   2.153   0.300  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.510   0.857   0.098  1.00  0.00           C  
HETATM   16  S   UNL     1       0.158   0.305  -0.138  1.00  0.00           S  
HETATM   17  O   UNL     1      -0.214   3.986   0.485  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.637   0.079   0.071  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.953   0.688   0.279  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.017  -0.375   0.201  1.00  0.00           C  
HETATM   21  S   UNL     1      -5.852  -0.868  -1.266  1.00  0.00           S  
HETATM   22  C   UNL     1      -6.796  -2.049  -0.368  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.451  -2.012   0.920  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.465  -1.092   1.233  1.00  0.00           C  
HETATM   25  H   UNL     1       4.688   2.592  -0.896  1.00  0.00           H  
HETATM   26  H   UNL     1       1.957  -0.311   0.700  1.00  0.00           H  
HETATM   27  H   UNL     1       6.434   0.915  -1.067  1.00  0.00           H  
HETATM   28  H   UNL     1       6.741  -3.582  -0.099  1.00  0.00           H  
HETATM   29  H   UNL     1       2.731  -2.663   1.005  1.00  0.00           H  
HETATM   30  H   UNL     1       4.561  -4.295   0.788  1.00  0.00           H  
HETATM   31  H   UNL     1       2.448   3.322   0.041  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.563  -0.875  -0.086  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.983   1.162   1.260  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.131   1.439  -0.492  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.542  -2.705  -0.794  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.903  -2.654   1.662  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.090  -0.962   2.237  1.00  0.00           H  
CONECT    1    4    4    2   25                                       
CONECT    2    1   11    3    3                                       
CONECT    3    2    2    6   26                                       
CONECT    4    1    1    5   27                                       
CONECT    5    4    7    7    6                                       
CONECT    6    3    5    9    9                                       
CONECT    7    5    5    8                                            
CONECT    8    7   10   10   28                                       
CONECT    9    6    6   10   29                                       
CONECT   10    8    8    9   30                                       
CONECT   11    2   12   12   31                                       
CONECT   12   11   11   13   16                                       
CONECT   13   12   14   17   17                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   18   16                                       
CONECT   16   12   15                                                 
CONECT   17   13   13                                                 
CONECT   18   15   19   32                                            
CONECT   19   18   20   33   34                                       
CONECT   20   19   24   24   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23   35                                       
CONECT   23   22   22   24   36                                       
CONECT   24   20   20   23   37                                       
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
