COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.438   1.733  -1.551  1.00  0.00           C  
HETATM    2  C   UNL     1       3.577   1.050  -0.189  1.00  0.00           C  
HETATM    3  C   UNL     1       4.977   0.447  -0.061  1.00  0.00           C  
HETATM    4  C   UNL     1       3.361   2.079   0.922  1.00  0.00           C  
HETATM    5  C   UNL     1       2.547  -0.044  -0.068  1.00  0.00           C  
HETATM    6  C   UNL     1       2.657  -1.214  -0.704  1.00  0.00           C  
HETATM    7  C   UNL     1       0.654  -0.928   0.698  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.730  -0.475   0.658  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.483  -1.240  -0.143  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.430  -0.531  -0.789  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.486   2.032  -1.299  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.461   1.783  -0.144  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.112   0.819   0.614  1.00  0.00           C  
HETATM   14  S   UNL     1       1.250  -2.191  -0.289  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.631  -0.981   1.484  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.329  -2.438  -0.273  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.269   0.859  -0.353  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.630   1.750   1.223  1.00  0.00           O  
HETATM   19  N   UNL     1       1.467   0.074   0.677  1.00  0.00           N  
HETATM   20  H   UNL     1       2.440   2.162  -1.642  1.00  0.00           H  
HETATM   21  H   UNL     1       4.183   2.524  -1.638  1.00  0.00           H  
HETATM   22  H   UNL     1       3.592   1.000  -2.343  1.00  0.00           H  
HETATM   23  H   UNL     1       5.723   1.238  -0.149  1.00  0.00           H  
HETATM   24  H   UNL     1       5.076  -0.040   0.909  1.00  0.00           H  
HETATM   25  H   UNL     1       5.131  -0.286  -0.853  1.00  0.00           H  
HETATM   26  H   UNL     1       2.363   2.508   0.831  1.00  0.00           H  
HETATM   27  H   UNL     1       3.460   1.592   1.893  1.00  0.00           H  
HETATM   28  H   UNL     1       4.106   2.869   0.835  1.00  0.00           H  
HETATM   29  H   UNL     1       3.465  -1.509  -1.357  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.086  -0.872  -1.417  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.833   1.809  -2.308  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.809   2.882  -1.212  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.424   2.468   0.703  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.448   1.395  -0.393  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.838  -2.012   1.772  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.535  -0.366   2.378  1.00  0.00           H  
CONECT    1    2   20   21   22                                       
CONECT    2    3    4    1    5                                       
CONECT    3    2   23   24   25                                       
CONECT    4    2   26   27   28                                       
CONECT    5    2    6    6   19                                       
CONECT    6    5    5   14   29                                       
CONECT    7   19   19   14   15                                       
CONECT    8   13   15    9                                            
CONECT    9    8   10   16   16                                       
CONECT   10   17    9   30                                            
CONECT   11   12   17   31   32                                       
CONECT   12   17   11   33   34                                       
CONECT   13   18   18   17    8                                       
CONECT   14    6    7                                                 
CONECT   15    7    8   35   36                                       
CONECT   16    9    9                                                 
CONECT   17   12   13   11   10                                       
CONECT   18   13   13                                                 
CONECT   19    5    7    7                                            
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
