COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.310   0.607   0.009  1.00  0.00           C  
HETATM    2  N   UNL     1       1.721   0.347  -0.172  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.468  -0.091  -1.131  1.00  0.00           O  
HETATM    4  S   UNL     1       3.387  -1.465   0.189  1.00  0.00           S  
HETATM    5  N   UNL     1       2.953   2.368  -0.386  1.00  0.00           N  
HETATM    6  O   UNL     1      -4.622   1.963   0.015  1.00  0.00           O  
HETATM    7  S   UNL     1      -4.784   0.553  -0.065  1.00  0.00           S  
HETATM    8  N   UNL     1       0.669  -1.766   0.067  1.00  0.00           N  
HETATM    9  N   UNL     1      -5.548   0.091   1.329  1.00  0.00           N  
HETATM   10  C   UNL     1       3.964   0.187  -0.013  1.00  0.00           C  
HETATM   11  C   UNL     1       2.863   0.996  -0.196  1.00  0.00           C  
HETATM   12  C   UNL     1       1.771  -0.940   0.015  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.618  -1.219   0.036  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.665  -1.935  -0.530  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.934  -1.391  -0.559  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.163  -0.137  -0.025  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.123   0.578   0.539  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.852   0.038   0.577  1.00  0.00           C  
HETATM   19  O   UNL     1       5.584   1.784  -0.142  1.00  0.00           O  
HETATM   20  N   UNL     1       6.294  -0.294   0.204  1.00  0.00           N  
HETATM   21  H   UNL     1       2.147   2.894  -0.510  1.00  0.00           H  
HETATM   22  H   UNL     1       3.821   2.800  -0.395  1.00  0.00           H  
HETATM   23  H   UNL     1       0.785  -2.728   0.125  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.363  -0.434   1.285  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.181   0.344   2.191  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.487  -2.915  -0.948  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.749  -1.947  -0.999  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.305   1.558   0.955  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.041   0.595   1.022  1.00  0.00           H  
HETATM   30  H   UNL     1       6.076  -1.231   0.328  1.00  0.00           H  
HETATM   31  H   UNL     1       7.220  -0.005   0.219  1.00  0.00           H  
CONECT    1   10   19   19   20                                       
CONECT    2   11   12   12                                            
CONECT    3    7    7                                                 
CONECT    4   10   12                                                 
CONECT    5   11   21   22                                            
CONECT    6    7    7                                                 
CONECT    7    3    3    6    6                                       
CONECT    7    9   16                                                 
CONECT    8   12   13   23                                            
CONECT    9    7   24   25                                            
CONECT   10    1    4   11   11                                       
CONECT   11    2    5   10   10                                       
CONECT   12    2    2    4    8                                       
CONECT   13    8   14   14   18                                       
CONECT   14   13   13   15   26                                       
CONECT   15   14   16   16   27                                       
CONECT   16    7   15   15   17                                       
CONECT   17   16   18   18   28                                       
CONECT   18   13   17   17   29                                       
CONECT   19    1    1                                                 
CONECT   20    1   30   31                                            
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   20                                                      
CONECT   31   20                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
