COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.916   1.130   0.088  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.196   0.640   0.017  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.637   2.868  -0.428  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.536  -0.770   0.223  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.661  -1.577   0.472  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.584  -2.850   0.213  1.00  0.00           C  
HETATM    7  C   UNL     1       2.616   0.136   0.707  1.00  0.00           C  
HETATM    8  C   UNL     1       3.209  -0.695  -0.162  1.00  0.00           C  
HETATM    9  C   UNL     1       4.408  -1.359   0.473  1.00  0.00           C  
HETATM   10  C   UNL     1       4.223  -1.144   1.992  1.00  0.00           C  
HETATM   11  C   UNL     1       3.347   0.128   2.030  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.172   1.664  -0.283  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.898   2.809  -0.204  1.00  0.00           S  
HETATM   14  O   UNL     1      -3.820  -1.173   0.135  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.084  -2.585   0.351  1.00  0.00           C  
HETATM   16  N   UNL     1       0.205   0.368   0.365  1.00  0.00           N  
HETATM   17  C   UNL     1       1.421   0.949   0.412  1.00  0.00           C  
HETATM   18  O   UNL     1       1.532   2.142   0.211  1.00  0.00           O  
HETATM   19  C   UNL     1       2.753  -0.928  -1.545  1.00  0.00           C  
HETATM   20  O   UNL     1       1.837  -0.274  -2.001  1.00  0.00           O  
HETATM   21  O   UNL     1       3.354  -1.867  -2.303  1.00  0.00           O  
HETATM   22  H   UNL     1      -3.196   3.764  -0.655  1.00  0.00           H  
HETATM   23  H   UNL     1      -6.127  -2.261   0.953  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.913  -2.568  -0.787  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.782  -3.909   0.375  1.00  0.00           H  
HETATM   26  H   UNL     1       4.420  -2.424   0.239  1.00  0.00           H  
HETATM   27  H   UNL     1       5.329  -0.885   0.132  1.00  0.00           H  
HETATM   28  H   UNL     1       3.704  -1.989   2.445  1.00  0.00           H  
HETATM   29  H   UNL     1       5.182  -0.971   2.481  1.00  0.00           H  
HETATM   30  H   UNL     1       3.972   1.016   2.123  1.00  0.00           H  
HETATM   31  H   UNL     1       2.637   0.075   2.855  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.230   1.467  -0.379  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.756  -2.867   1.352  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.541  -3.173  -0.389  1.00  0.00           H  
HETATM   35  H   UNL     1       0.116  -0.585   0.525  1.00  0.00           H  
HETATM   36  H   UNL     1       3.021  -1.984  -3.203  1.00  0.00           H  
CONECT    1    2    2   13   16                                       
CONECT    2    1    1   12    4                                       
CONECT    3   12   12   13   22                                       
CONECT    4    2   14    5    5                                       
CONECT    5    4    4                                                 
CONECT    6   15   23   24   25                                       
CONECT    7   17    8    8   11                                       
CONECT    8   19    7    7    9                                       
CONECT    9    8   10   26   27                                       
CONECT   10    9   11   28   29                                       
CONECT   11    7   10   30   31                                       
CONECT   12    2    3    3   32                                       
CONECT   13    1    3                                                 
CONECT   14    4   15                                                 
CONECT   15   14    6   33   34                                       
CONECT   16    1   17   35                                            
CONECT   17   16   18   18    7                                       
CONECT   18   17   17                                                 
CONECT   19   20   20   21    8                                       
CONECT   20   19   19                                                 
CONECT   21   19   36                                                 
CONECT   22    3                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   21                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
