COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.629   3.161  -0.027  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.591   2.556  -0.022  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.672   1.155  -0.006  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.921   0.495  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.958  -0.892   0.014  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.767  -1.631   0.025  1.00  0.00           C  
HETATM    7  C   UNL     1       0.443  -1.015   0.020  1.00  0.00           C  
HETATM    8  C   UNL     1       0.520   0.390   0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       1.761   1.049  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       1.801   2.410  -0.022  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.333  -0.873   0.010  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.289   0.617  -0.005  1.00  0.00           C  
HETATM   13  N   UNL     1       4.487   1.165  -0.363  1.00  0.00           N  
HETATM   14  N   UNL     1       1.684  -1.823   0.031  1.00  0.00           N1+
HETATM   15  N   UNL     1      -3.176  -1.565   0.020  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.092   1.238  -0.011  1.00  0.00           N  
HETATM   17  O   UNL     1       3.469  -0.292   1.350  1.00  0.00           O  
HETATM   18  O   UNL     1       3.168  -0.794  -1.080  1.00  0.00           O  
HETATM   19  O   UNL     1       2.356  -1.892   1.044  1.00  0.00           O  
HETATM   20  O   UNL     1       2.031  -2.418  -0.973  1.00  0.00           O1-
HETATM   21  O   UNL     1      -5.399  -1.456   0.016  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.318   1.263  -0.014  1.00  0.00           O  
HETATM   23  S   UNL     1       3.257   0.118   0.006  1.00  0.00           S  
HETATM   24  H   UNL     1       0.688   4.240  -0.040  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.492   3.151  -0.030  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.813  -2.710   0.037  1.00  0.00           H  
HETATM   27  H   UNL     1       2.757   2.914  -0.026  1.00  0.00           H  
HETATM   28  H   UNL     1       4.293   2.100  -0.532  1.00  0.00           H  
HETATM   29  H   UNL     1       5.400   0.842  -0.409  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.193  -2.534   0.031  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.049   2.207  -0.021  1.00  0.00           H  
CONECT    1   10    2    2   24                                       
CONECT    2    1    1    3   25                                       
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   16                                       
CONECT    5    6    6    4   15                                       
CONECT    6    7    5    5   26                                       
CONECT    7   14    8    8    6                                       
CONECT    8    9    7    7    3                                       
CONECT    9   23   10   10    8                                       
CONECT   10    9    9    1   27                                       
CONECT   11   15   21   21   12                                       
CONECT   12   16   11   22   22                                       
CONECT   13   23   28   29                                            
CONECT   14   19   19   20    7                                       
CONECT   15    5   11   30                                            
CONECT   16    4   12   31                                            
CONECT   17   23   23                                                 
CONECT   18   23   23                                                 
CONECT   19   14   14                                                 
CONECT   20   14                                                      
CONECT   21   11   11                                                 
CONECT   22   12   12                                                 
CONECT   23   13   18   18   17                                       
CONECT   23   17    9                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    6                                                      
CONECT   27   10                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
