COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.131  -1.158  -1.202  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.410  -1.681  -1.205  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.100   0.971   0.005  1.00  0.00           C  
HETATM    4  N   UNL     1       2.647  -1.246   0.005  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.223   1.783   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.083   3.158   0.004  1.00  0.00           C  
HETATM    7  N   UNL     1       4.484  -2.396   0.003  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.823   3.733  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       0.304   2.937  -0.003  1.00  0.00           C  
HETATM   10  C   UNL     1       0.176   1.549   0.006  1.00  0.00           C  
HETATM   11  C   UNL     1       1.380   0.691   0.003  1.00  0.00           C  
HETATM   12  N   UNL     1       4.813  -1.152  -0.006  1.00  0.00           N  
HETATM   13  C   UNL     1       3.185  -2.515   0.009  1.00  0.00           C  
HETATM   14  C   UNL     1       3.730  -0.416  -0.004  1.00  0.00           C  
HETATM   15  N   UNL     1       1.416  -0.606   0.012  1.00  0.00           N  
HETATM   16  S   UNL     1       3.071   1.224  -0.010  1.00  0.00           S  
HETATM   17  O   UNL     1      -1.236  -0.380   0.008  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.494  -0.894   0.002  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.143  -1.156   1.200  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.422  -1.679   1.191  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.055  -1.940  -0.010  1.00  0.00           C  
HETATM   22  H   UNL     1      -2.627  -0.959  -2.136  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.907  -1.886  -2.142  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.208   1.342   0.009  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.960   3.788   0.004  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.723   4.808  -0.003  1.00  0.00           H  
HETATM   27  H   UNL     1       1.285   3.390  -0.007  1.00  0.00           H  
HETATM   28  H   UNL     1       2.631  -3.442   0.017  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.649  -0.952   2.138  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.927  -1.883   2.124  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.055  -2.349  -0.014  1.00  0.00           H  
CONECT    1    2    2   18   22                                       
CONECT    2    1    1   21   23                                       
CONECT    3    5    5   10   17                                       
CONECT    4   15   13   14                                            
CONECT    5    6    3    3   24                                       
CONECT    6    8    8    5   25                                       
CONECT    7   13   13   12                                            
CONECT    8    6    6    9   26                                       
CONECT    9    8   10   10   27                                       
CONECT   10    9    9    3   11                                       
CONECT   11   10   15   15   16                                       
CONECT   12   14   14    7                                            
CONECT   13    4    7    7   28                                       
CONECT   14    4   16   12   12                                       
CONECT   15   11   11    4                                            
CONECT   16   11   14                                                 
CONECT   17    3   18                                                 
CONECT   18    1   17   19   19                                       
CONECT   19   18   18   20   29                                       
CONECT   20   21   21   19   30                                       
CONECT   21    2   20   20   31                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   13                                                      
CONECT   29   19                                                      
CONECT   30   20                                                      
CONECT   31   21                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
