COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.714   0.466   0.476  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.366   0.393  -0.125  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.605   1.553  -0.284  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.348   1.478  -0.846  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.840   0.257  -1.252  1.00  0.00           C  
HETATM    6  C   UNL     1       0.535   0.183  -1.865  1.00  0.00           C  
HETATM    7  C   UNL     1       2.107   1.079  -0.363  1.00  0.00           C  
HETATM    8  C   UNL     1       1.721   2.320  -0.929  1.00  0.00           C  
HETATM    9  C   UNL     1       2.290   3.479  -0.491  1.00  0.00           C  
HETATM   10  C   UNL     1       3.251   3.470   0.510  1.00  0.00           C  
HETATM   11  C   UNL     1       3.644   2.264   1.079  1.00  0.00           C  
HETATM   12  C   UNL     1       3.087   1.105   0.654  1.00  0.00           C  
HETATM   13  C   UNL     1       2.636  -1.640   0.547  1.00  0.00           C  
HETATM   14  C   UNL     1       2.835  -2.934   0.926  1.00  0.00           C  
HETATM   15  C   UNL     1       2.088  -3.920   0.278  1.00  0.00           C  
HETATM   16  C   UNL     1       1.188  -3.543  -0.709  1.00  0.00           C  
HETATM   17  C   UNL     1       1.702  -1.299  -0.461  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.588  -0.896  -1.097  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.845  -0.836  -0.532  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.444  -0.656   0.633  1.00  0.00           N  
HETATM   21  N   UNL     1       1.529  -0.030  -0.810  1.00  0.00           N1+
HETATM   22  N   UNL     1       1.017  -2.286  -1.053  1.00  0.00           N  
HETATM   23  O   UNL     1      -5.163   1.537   0.834  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.733  -0.588   1.214  1.00  0.00           O  
HETATM   25  S   UNL     1       3.506  -0.276   1.272  1.00  0.00           S  
HETATM   26  H   UNL     1      -3.001   2.507   0.033  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.759   2.375  -0.969  1.00  0.00           H  
HETATM   28  H   UNL     1       0.573  -0.645  -2.573  1.00  0.00           H  
HETATM   29  H   UNL     1       0.751   1.116  -2.386  1.00  0.00           H  
HETATM   30  H   UNL     1       0.975   2.348  -1.709  1.00  0.00           H  
HETATM   31  H   UNL     1       1.988   4.419  -0.930  1.00  0.00           H  
HETATM   32  H   UNL     1       3.692   4.397   0.845  1.00  0.00           H  
HETATM   33  H   UNL     1       4.392   2.252   1.859  1.00  0.00           H  
HETATM   34  H   UNL     1       3.546  -3.188   1.699  1.00  0.00           H  
HETATM   35  H   UNL     1       2.209  -4.960   0.541  1.00  0.00           H  
HETATM   36  H   UNL     1       0.610  -4.306  -1.209  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.186  -1.847  -1.416  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.428  -1.737  -0.411  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.085  -1.512   0.348  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.179  -1.443   1.285  1.00  0.00           H  
HETATM   41  H   UNL     1       3.000  -0.223   2.517  1.00  0.00           H  
CONECT    1    2   23   23   20                                       
CONECT    2   19   19    3    1                                       
CONECT    3    4    4    2   26                                       
CONECT    4    5    3    3   27                                       
CONECT    5    6   18   18    4                                       
CONECT    6   21    5   28   29                                       
CONECT    7   21   21    8   12                                       
CONECT    8    7    9    9   30                                       
CONECT    9    8    8   10   31                                       
CONECT   10    9   11   11   32                                       
CONECT   11   12   10   10   33                                       
CONECT   12    7   25   25   11                                       
CONECT   13   14   14   17   25                                       
CONECT   14   15   13   13   34                                       
CONECT   15   16   16   14   35                                       
CONECT   16   15   15   22   36                                       
CONECT   17   22   22   13   21                                       
CONECT   18    5    5   19   37                                       
CONECT   19   18    2    2   38                                       
CONECT   20    1   24   39                                            
CONECT   21   17    6    7    7                                       
CONECT   22   16   17   17                                            
CONECT   23    1    1                                                 
CONECT   24   20   40                                                 
CONECT   25   13   12   12   41                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
