COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.680  -1.443  -0.001  1.00  0.00           O  
HETATM    2  C   UNL     1       4.976  -0.446   0.000  1.00  0.00           C  
HETATM    3  N   UNL     1       5.526   0.789   0.000  1.00  0.00           N  
HETATM    4  C   UNL     1       4.730   1.896   0.001  1.00  0.00           C  
HETATM    5  N   UNL     1       5.317   3.138   0.001  1.00  0.00           N  
HETATM    6  N   UNL     1       3.421   1.810   0.001  1.00  0.00           N  
HETATM    7  C   UNL     1       2.805   0.611   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       3.579  -0.555  -0.006  1.00  0.00           C  
HETATM    9  N   UNL     1       2.685  -1.617  -0.004  1.00  0.00           N  
HETATM   10  N   UNL     1       1.517   0.233   0.001  1.00  0.00           N  
HETATM   11  C   UNL     1       1.434  -1.080   0.002  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.067  -2.002   0.002  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.268  -0.648   0.001  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.664  -1.215   0.001  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.831  -2.416   0.001  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.826  -0.311   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.123  -0.834   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.206   0.020  -0.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.012   1.390  -0.002  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.201   2.316  -0.003  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.731   1.915  -0.001  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.638   1.074   0.005  1.00  0.00           C  
HETATM   23  H   UNL     1       6.491   0.887   0.000  1.00  0.00           H  
HETATM   24  H   UNL     1       6.283   3.218   0.001  1.00  0.00           H  
HETATM   25  H   UNL     1       4.764   3.935   0.002  1.00  0.00           H  
HETATM   26  H   UNL     1       2.909  -2.561  -0.008  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.125  -0.035   0.890  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.125  -0.036  -0.890  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.276  -1.903  -0.001  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.208  -0.382  -0.001  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.488   2.540   1.025  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.941   3.241  -0.517  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.034   1.836  -0.517  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.587   2.985   0.003  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.639   1.485   0.005  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    8    1    1                                       
CONECT    3    4    2   23                                            
CONECT    4    5    6    6    3                                       
CONECT    5    4   24   25                                            
CONECT    6    4    4    7                                            
CONECT    7    6   10    8    8                                       
CONECT    8    7    7    2    9                                       
CONECT    9    8   11   26                                            
CONECT   10    7   11   11                                            
CONECT   11   10   10    9   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   27   28                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   22   14   17   17                                       
CONECT   17   16   16   18   29                                       
CONECT   18   19   19   17   30                                       
CONECT   19   21   20   18   18                                       
CONECT   20   19   31   32   33                                       
CONECT   21   22   22   19   34                                       
CONECT   22   21   21   16   35                                       
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    9                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   17                                                      
CONECT   30   18                                                      
CONECT   31   20                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   22                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
