COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.946   0.636   0.006  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.243   0.270   0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       0.104  -0.386   0.007  1.00  0.00           C  
HETATM    4  C   UNL     1       1.475   0.291   0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       4.280  -0.059  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       4.866   0.301  -1.200  1.00  0.00           C  
HETATM    7  C   UNL     1       6.643   1.377  -0.010  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.208   1.211   0.002  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.450  -1.409  -0.005  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.542  -0.908   0.002  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.405  -0.323  -0.003  1.00  0.00           C  
HETATM   12  C   UNL     1       6.054   1.022   1.190  1.00  0.00           C  
HETATM   13  C   UNL     1       4.873   0.303   1.194  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.063  -0.492  -0.001  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.551   0.832   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       6.047   1.019  -1.205  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.590   1.625   0.000  1.00  0.00           N  
HETATM   18  O   UNL     1       2.792  -1.670   1.243  1.00  0.00           O  
HETATM   19  O   UNL     1       2.788  -1.677  -1.231  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.624   1.000  -0.007  1.00  0.00           O  
HETATM   21  S   UNL     1       2.775  -0.975   0.004  1.00  0.00           S  
HETATM   22  H   UNL     1      -0.707   1.576   0.003  1.00  0.00           H  
HETATM   23  H   UNL     1       0.007  -1.005   0.899  1.00  0.00           H  
HETATM   24  H   UNL     1       0.004  -1.010  -0.881  1.00  0.00           H  
HETATM   25  H   UNL     1       1.572   0.910  -0.889  1.00  0.00           H  
HETATM   26  H   UNL     1       1.575   0.915   0.891  1.00  0.00           H  
HETATM   27  H   UNL     1       4.401   0.022  -2.134  1.00  0.00           H  
HETATM   28  H   UNL     1       7.566   1.938  -0.013  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.970   2.151   0.003  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.703  -1.673   1.022  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.342  -1.054  -0.520  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.059  -2.287  -0.520  1.00  0.00           H  
HETATM   33  H   UNL     1       6.517   1.305   2.123  1.00  0.00           H  
HETATM   34  H   UNL     1       4.413   0.026   2.131  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.510  -1.420  -0.001  1.00  0.00           H  
HETATM   36  H   UNL     1       6.505   1.300  -2.142  1.00  0.00           H  
CONECT    1    2    3   22                                            
CONECT    2    8   10   10    1                                       
CONECT    3    1    4   23   24                                       
CONECT    4    3   21   25   26                                       
CONECT    5    6   21   13   13                                       
CONECT    6   16   16    5   27                                       
CONECT    7   16   12   12   28                                       
CONECT    8   15    2   29                                            
CONECT    9   11   30   31   32                                       
CONECT   10    2    2                                                 
CONECT   11    9   20   14   14                                       
CONECT   12    7    7   13   33                                       
CONECT   13    5    5   12   34                                       
CONECT   14   11   11   15   35                                       
CONECT   15   17   17   14    8                                       
CONECT   16    6    6    7   36                                       
CONECT   17   20   15   15                                            
CONECT   18   21   21                                                 
CONECT   19   21   21                                                 
CONECT   20   11   17                                                 
CONECT   21    4    5   19   19                                       
CONECT   21   18   18                                                 
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
