COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.269  -2.692   0.785  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.378  -3.125   2.102  1.00  0.00           C  
HETATM    3  O   UNL     1       0.874  -1.408   0.951  1.00  0.00           O  
HETATM    4  C   UNL     1       1.337  -3.710   0.382  1.00  0.00           C  
HETATM    5  N   UNL     1       3.126   0.191   0.374  1.00  0.00           N  
HETATM    6  C   UNL     1       0.900  -0.619  -0.240  1.00  0.00           C  
HETATM    7  S   UNL     1       4.313   0.042  -0.771  1.00  0.00           S  
HETATM    8  O   UNL     1       4.578   1.434  -1.329  1.00  0.00           O  
HETATM    9  C   UNL     1       1.779   0.614  -0.017  1.00  0.00           C  
HETATM   10  S   UNL     1      -4.702  -0.020  -0.545  1.00  0.00           S  
HETATM   11  O   UNL     1       5.492  -0.345  -0.080  1.00  0.00           O  
HETATM   12  C   UNL     1       1.169   1.472   1.096  1.00  0.00           C  
HETATM   13  O   UNL     1       1.943   2.662   1.261  1.00  0.00           O  
HETATM   14  O   UNL     1       3.751  -0.715  -1.835  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.266   1.844   0.711  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.869   2.585   1.773  1.00  0.00           O  
HETATM   17  O   UNL     1      -5.127   1.165   0.115  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.066   0.563   0.460  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.428  -0.203  -0.565  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.670   0.305  -2.032  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.485   0.927   0.016  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.265  -0.264  -0.106  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.377  -1.264  -0.420  1.00  0.00           O  
HETATM   24  H   UNL     1      -0.492  -2.636   0.007  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.138  -2.399   2.389  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.839  -4.104   1.975  1.00  0.00           H  
HETATM   27  H   UNL     1       0.384  -3.180   2.880  1.00  0.00           H  
HETATM   28  H   UNL     1       1.306  -1.211  -1.060  1.00  0.00           H  
HETATM   29  H   UNL     1       1.833   1.195  -0.938  1.00  0.00           H  
HETATM   30  H   UNL     1       0.875  -4.690   0.255  1.00  0.00           H  
HETATM   31  H   UNL     1       1.798  -3.402  -0.557  1.00  0.00           H  
HETATM   32  H   UNL     1       2.099  -3.766   1.160  1.00  0.00           H  
HETATM   33  H   UNL     1       1.163   0.909   2.029  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.255   2.450  -0.195  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.112  -0.023   1.377  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.939   1.585   0.756  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.445   1.436  -0.947  1.00  0.00           H  
HETATM   38  H   UNL     1       3.323  -0.002   1.304  1.00  0.00           H  
HETATM   39  H   UNL     1       1.613   3.253   1.952  1.00  0.00           H  
HETATM   40  H   UNL     1       5.261   1.460  -2.012  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.781   2.853   1.597  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.541   0.479  -2.415  1.00  0.00           H  
CONECT    1    2    4    3   24                                       
CONECT    2    1   26   25   27                                       
CONECT    3    1    6                                                 
CONECT    4    1   32   31   30                                       
CONECT    5   38    9    7                                            
CONECT    6    3   19   28    9                                       
CONECT    7    5   11   11   14                                       
CONECT    7   14    8                                                 
CONECT    8    7   40                                                 
CONECT    9    5    6   12   29                                       
CONECT   10   17   17   23   23                                       
CONECT   10   22   20                                                 
CONECT   11    7    7                                                 
CONECT   12    9   15   33   13                                       
CONECT   13   12   39                                                 
CONECT   14    7    7                                                 
CONECT   15   12   18   16   34                                       
CONECT   16   15   41                                                 
CONECT   17   10   10                                                 
CONECT   18   15   21   35   19                                       
CONECT   19    6   18                                                 
CONECT   20   10   42                                                 
CONECT   21   18   22   36   37                                       
CONECT   22   10   21                                                 
CONECT   23   10   10                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    6                                                      
CONECT   29    9                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38    5                                                      
CONECT   39   13                                                      
CONECT   40    8                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
