COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.982   4.515   0.704  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.854   0.392   0.540  1.00  0.00           O  
HETATM    3  C   UNL     1       3.464   2.746   0.706  1.00  0.00           C  
HETATM    4  C   UNL     1       2.395   1.877   0.433  1.00  0.00           C  
HETATM    5  C   UNL     1       1.110   2.427   0.301  1.00  0.00           C  
HETATM    6  C   UNL     1       1.027   0.235   0.017  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.519   1.200  -1.662  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.835   0.392  -1.616  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.715   2.439  -2.347  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.735  -1.125   0.189  1.00  0.00           C  
HETATM   11  C   UNL     1       1.954  -2.334  -0.156  1.00  0.00           C  
HETATM   12  C   UNL     1       1.661  -3.818  -0.385  1.00  0.00           C  
HETATM   13  C   UNL     1       2.943  -4.604  -0.283  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.137   0.251  -0.108  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.181   1.451  -0.175  1.00  0.00           C  
HETATM   16  N   UNL     1       3.209   4.044   0.831  1.00  0.00           N  
HETATM   17  N   UNL     1       0.950   3.738   0.448  1.00  0.00           N  
HETATM   18  N   UNL     1       0.266   1.372   0.039  1.00  0.00           N  
HETATM   19  N   UNL     1       2.282   0.538   0.245  1.00  0.00           N  
HETATM   20  N   UNL     1       4.754   2.260   0.846  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.054  -1.222   1.616  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.112  -1.410   1.944  1.00  0.00           N1+
HETATM   23  N   UNL     1      -6.171  -1.597   2.272  1.00  0.00           N1-
HETATM   24  O   UNL     1      -3.884   1.107  -2.272  1.00  0.00           O  
HETATM   25  O   UNL     1       2.929  -5.936  -0.449  1.00  0.00           O  
HETATM   26  O   UNL     1       3.984  -4.036  -0.051  1.00  0.00           O  
HETATM   27  S   UNL     1       0.414  -1.390  -0.279  1.00  0.00           S  
HETATM   28  H   UNL     1       1.818   5.576   0.818  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.731   0.619  -2.142  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.698  -0.587  -2.074  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.960   2.339  -3.277  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.644  -1.261  -0.396  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.014  -1.899  -0.075  1.00  0.00           H  
HETATM   34  H   UNL     1       2.386  -2.197   0.835  1.00  0.00           H  
HETATM   35  H   UNL     1       2.657  -1.982  -0.911  1.00  0.00           H  
HETATM   36  H   UNL     1       0.958  -4.171   0.370  1.00  0.00           H  
HETATM   37  H   UNL     1       1.230  -3.955  -1.376  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.816   1.038   0.220  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.560   2.423   0.141  1.00  0.00           H  
HETATM   40  H   UNL     1       4.927   1.310   0.756  1.00  0.00           H  
HETATM   41  H   UNL     1       5.484   2.870   1.035  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.734   0.646  -2.273  1.00  0.00           H  
HETATM   43  H   UNL     1       3.776  -6.397  -0.375  1.00  0.00           H  
CONECT    1   16   16   17   28                                       
CONECT    2   14   15                                                 
CONECT    3   20    4    4   16                                       
CONECT    4   19    3    3    5                                       
CONECT    5    4   18   17   17                                       
CONECT    6   19   19   27   18                                       
CONECT    7   15    8    9   29                                       
CONECT    8   14    7   24   30                                       
CONECT    9    7   31                                                 
CONECT   10   21   14   32   33                                       
CONECT   11   27   12   34   35                                       
CONECT   12   13   11   36   37                                       
CONECT   13   26   26   25   12                                       
CONECT   14    2   10    8   38                                       
CONECT   15    2   18    7   39                                       
CONECT   16    3    1    1                                            
CONECT   17    5    5    1                                            
CONECT   18    6    5   15                                            
CONECT   19    4    6    6                                            
CONECT   20    3   40   41                                            
CONECT   21   22   22   10                                            
CONECT   22   21   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24    8   42                                                 
CONECT   25   13   43                                                 
CONECT   26   13   13                                                 
CONECT   27   11    6                                                 
CONECT   28    1                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
