COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.322   4.389   0.330  1.00  0.00           C  
HETATM    2  C   UNL     1       4.116   2.905   0.171  1.00  0.00           C  
HETATM    3  C   UNL     1       4.700   2.026   1.064  1.00  0.00           C  
HETATM    4  C   UNL     1       4.506   0.665   0.921  1.00  0.00           C  
HETATM    5  C   UNL     1       3.337   2.422  -0.864  1.00  0.00           C  
HETATM    6  C   UNL     1       3.147   1.061  -1.010  1.00  0.00           C  
HETATM    7  C   UNL     1       3.728   0.183  -0.114  1.00  0.00           C  
HETATM    8  S   UNL     1       3.481  -1.553  -0.296  1.00  0.00           S  
HETATM    9  O   UNL     1       3.154  -1.770  -1.662  1.00  0.00           O  
HETATM   10  O   UNL     1       4.578  -2.184   0.350  1.00  0.00           O  
HETATM   11  N   UNL     1       2.132  -1.950   0.576  1.00  0.00           N  
HETATM   12  C   UNL     1       0.927  -1.465   0.214  1.00  0.00           C  
HETATM   13  O   UNL     1       0.832  -0.736  -0.754  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.171  -1.789   0.924  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.405  -1.209   0.609  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.734  -0.923  -0.715  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.966  -0.349  -0.977  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.322  -0.915   1.609  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.486  -0.369   1.315  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.824  -0.080   0.074  1.00  0.00           C  
HETATM   21  S   UNL     1      -5.394   0.649  -0.251  1.00  0.00           S  
HETATM   22  O   UNL     1      -5.196   1.571  -1.314  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.328  -0.420  -0.314  1.00  0.00           O  
HETATM   24  N   UNL     1      -5.801   1.549   1.078  1.00  0.00           N  
HETATM   25  H   UNL     1       3.540   4.798   0.970  1.00  0.00           H  
HETATM   26  H   UNL     1       5.296   4.574   0.784  1.00  0.00           H  
HETATM   27  H   UNL     1       4.280   4.869  -0.647  1.00  0.00           H  
HETATM   28  H   UNL     1       5.308   2.403   1.873  1.00  0.00           H  
HETATM   29  H   UNL     1       4.963  -0.022   1.618  1.00  0.00           H  
HETATM   30  H   UNL     1       2.877   3.109  -1.559  1.00  0.00           H  
HETATM   31  H   UNL     1       2.539   0.684  -1.819  1.00  0.00           H  
HETATM   32  H   UNL     1       2.207  -2.533   1.349  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.107  -2.424   1.655  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.044  -1.143  -1.516  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.254  -0.113  -1.991  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.080  -1.137   2.638  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.354   2.340   0.978  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.487   1.285   1.957  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    3    3    5    1                                       
CONECT    3    4    2    2   28                                       
CONECT    4    7    7    3   29                                       
CONECT    5    6    6    2   30                                       
CONECT    6    7    5    5   31                                       
CONECT    7    8    4    4    6                                       
CONECT    8    9    9   10   10                                       
CONECT    8    7   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   32                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   33                                            
CONECT   15   14   18   18   16                                       
CONECT   16   15   17   17   34                                       
CONECT   17   16   16   20   35                                       
CONECT   18   15   15   19   36                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   17   21                                       
CONECT   21   20   24   22   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   37   38                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
