COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.906  -1.433   0.000  1.00  0.00           C  
HETATM    2  N   UNL     1       5.195  -1.028   0.001  1.00  0.00           N  
HETATM    3  C   UNL     1       5.500   0.300   0.001  1.00  0.00           C  
HETATM    4  N   UNL     1       4.567   1.226   0.001  1.00  0.00           N  
HETATM    5  C   UNL     1       3.269   0.899   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       2.893  -0.447  -0.005  1.00  0.00           C  
HETATM    7  O   UNL     1       3.623  -2.619   0.000  1.00  0.00           O  
HETATM    8  N   UNL     1       6.819   0.682   0.001  1.00  0.00           N  
HETATM    9  N   UNL     1       2.103   1.624   0.001  1.00  0.00           N  
HETATM   10  C   UNL     1       1.064   0.732   0.001  1.00  0.00           C  
HETATM   11  N   UNL     1       1.535  -0.490  -0.004  1.00  0.00           N  
HETATM   12  S   UNL     1      -0.644   1.162   0.001  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.385  -0.489   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.886  -0.367   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.573  -0.310  -1.200  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.948  -0.198  -1.207  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.647  -0.142   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.948  -0.199   1.207  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.573  -0.317   1.200  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.074  -0.024   0.000  1.00  0.00           C  
HETATM   21  N   UNL     1      -8.206   0.068   0.000  1.00  0.00           N  
HETATM   22  H   UNL     1       5.908  -1.687   0.001  1.00  0.00           H  
HETATM   23  H   UNL     1       7.518   0.010   0.002  1.00  0.00           H  
HETATM   24  H   UNL     1       7.051   1.624   0.002  1.00  0.00           H  
HETATM   25  H   UNL     1       2.029   2.591   0.001  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.064  -1.031  -0.890  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.064  -1.031   0.890  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.031  -0.354  -2.133  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.482  -0.153  -2.145  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.483  -0.156   2.145  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.032  -0.362   2.133  1.00  0.00           H  
CONECT    1    2    6    7    7                                       
CONECT    2    3    1   22                                            
CONECT    3    8    4    4    2                                       
CONECT    4    3    3    5                                            
CONECT    5    4    9    6    6                                       
CONECT    6    5    5    1   11                                       
CONECT    7    1    1                                                 
CONECT    8    3   23   24                                            
CONECT    9    5   10   25                                            
CONECT   10    9   11   11   12                                       
CONECT   11    6   10   10                                            
CONECT   12   10   13                                                 
CONECT   13   12   14   26   27                                       
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14   28                                       
CONECT   16   17   15   15   29                                       
CONECT   17   20   18   18   16                                       
CONECT   18   17   17   19   30                                       
CONECT   19   18   14   14   31                                       
CONECT   20   21   21   21   17                                       
CONECT   21   20   20   20                                            
CONECT   22    2                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   18                                                      
CONECT   31   19                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
