COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.341   2.678  -0.368  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.426   2.441   0.555  1.00  0.00           O  
HETATM    3  C   UNL     1       0.868   1.960   0.222  1.00  0.00           C  
HETATM    4  O   UNL     1       1.456   2.721   1.272  1.00  0.00           O  
HETATM    5  C   UNL     1       0.205   0.724   0.798  1.00  0.00           C  
HETATM    6  O   UNL     1       0.983   0.089   1.793  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.085   1.300   1.371  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.202   0.359   1.377  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.572  -0.449   2.421  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.620  -1.191   2.128  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.944  -0.850   0.839  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.947  -1.284  -0.022  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.873  -2.258   0.388  1.00  0.00           N  
HETATM   14  N   UNL     1      -5.021  -0.754  -1.267  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.100   0.181  -1.605  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.087   0.680  -0.863  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.074   0.113   0.353  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.097   6.227  -4.676  1.00  0.00           N  
HETATM   19  O   UNL     1      -3.450   5.326  -3.736  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.048   5.407  -3.965  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.320   4.483  -3.007  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.687   4.906  -1.289  1.00  0.00           S1+
HETATM   23  C   UNL     1      -1.067   6.602  -1.356  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.185   4.173  -0.578  1.00  0.00           C  
HETATM   25  H   UNL     1      -0.631   2.210  -1.316  1.00  0.00           H  
HETATM   26  H   UNL     1       1.646   1.736  -0.513  1.00  0.00           H  
HETATM   27  H   UNL     1       2.023   3.385   0.849  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.007   0.000   0.002  1.00  0.00           H  
HETATM   29  H   UNL     1       1.802   0.606   1.893  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.977   1.630   2.409  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.042  -0.451   3.364  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.044  -2.395   1.366  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.281  -2.868  -0.295  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.189   0.583  -2.608  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.649   6.797  -4.036  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.748   5.587  -5.129  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.742   6.443  -3.784  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.845   5.158  -5.011  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.642   3.448  -3.153  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.235   4.547  -3.134  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.468   6.802  -0.465  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.915   7.290  -1.395  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.452   6.721  -2.250  1.00  0.00           H  
HETATM   44  H   UNL     1       0.642   4.379  -1.262  1.00  0.00           H  
HETATM   45  H   UNL     1       0.013   4.675   0.373  1.00  0.00           H  
CONECT    1    2    3   24   25                                       
CONECT    2    1    7                                                 
CONECT    3    1    4    5   26                                       
CONECT    4    3   27                                                 
CONECT    5    3    6    7   28                                       
CONECT    6    5   29                                                 
CONECT    7    2    5    8   30                                       
CONECT    8    7    9   17                                            
CONECT    9    8   10   10   31                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   12   17                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   32   33                                            
CONECT   14   12   15   15                                            
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17                                            
CONECT   17    8   11   16   16                                       
CONECT   18   19   35   36                                            
CONECT   19   18   20                                                 
CONECT   20   19   21   37   38                                       
CONECT   21   20   22   39   40                                       
CONECT   22   21   23   24                                            
CONECT   23   22   41   42   43                                       
CONECT   24    1   22   44   45                                       
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
