COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.914  -0.046  -0.289  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.435  -0.412  -0.419  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.852   1.182   0.828  1.00  0.00           C  
HETATM    4  C   UNL     1       4.218   2.058  -0.124  1.00  0.00           C  
HETATM    5  C   UNL     1       4.016   0.575   0.050  1.00  0.00           C  
HETATM    6  O   UNL     1       4.973  -0.154   0.208  1.00  0.00           O  
HETATM    7  C   UNL     1       2.665   0.014   0.028  1.00  0.00           C  
HETATM    8  C   UNL     1       2.418  -1.318   0.185  1.00  0.00           C  
HETATM    9  S   UNL     1       0.732  -1.587   0.101  1.00  0.00           S  
HETATM   10  C   UNL     1       0.445   0.131  -0.145  1.00  0.00           C  
HETATM   11  N   UNL     1       1.572   0.767  -0.143  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.803   0.717  -0.310  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.824  -1.243  -0.120  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.268   0.590  -0.468  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.142   0.601   0.395  1.00  0.00           N1+
HETATM   16  H   UNL     1      -4.897  -0.596  -1.389  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.203  -1.329   0.123  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.450   0.732   1.736  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.845   2.272   0.855  1.00  0.00           H  
HETATM   20  H   UNL     1       3.698   2.592   0.672  1.00  0.00           H  
HETATM   21  H   UNL     1       5.283   2.287  -0.079  1.00  0.00           H  
HETATM   22  H   UNL     1       3.820   2.369  -1.090  1.00  0.00           H  
HETATM   23  H   UNL     1       3.167  -2.081   0.337  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.875   1.675  -0.441  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.309   1.270  -1.319  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.693   1.238  -0.161  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.667   0.198   1.156  1.00  0.00           H  
CONECT    1   13   13   12   14                                       
CONECT    2   15   14   16   17                                       
CONECT    3   15   14   18   19                                       
CONECT    4    5   20   21   22                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    8    8    5   11                                       
CONECT    8    7    7    9   23                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   12                                       
CONECT   11    7   10   10                                            
CONECT   12   10    1   24                                            
CONECT   13    1    1                                                 
CONECT   14    1    3    2   25                                       
CONECT   15    3    2   26   27                                       
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    8                                                      
CONECT   24   12                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
