COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.038   1.578   1.354  1.00  0.00           C  
HETATM    2  N   UNL     1       2.558  -2.230  -0.166  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.096   1.522  -1.063  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.653   1.650   0.322  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.614   0.769  -0.110  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.432   0.861   0.857  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.615  -2.005  -0.142  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.048  -1.783   0.814  1.00  0.00           S  
HETATM    9  C   UNL     1      -2.337  -0.068   0.401  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.292   0.167  -0.433  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.458  -0.820  -0.686  1.00  0.00           N1+
HETATM   12  C   UNL     1       0.673  -0.590  -1.588  1.00  0.00           C  
HETATM   13  C   UNL     1       2.720  -0.854  -0.132  1.00  0.00           C  
HETATM   14  N   UNL     1       3.730  -0.309   0.539  1.00  0.00           N  
HETATM   15  C   UNL     1       3.884   0.999   0.577  1.00  0.00           C  
HETATM   16  N   UNL     1       3.061   1.814  -0.050  1.00  0.00           N  
HETATM   17  C   UNL     1       2.034   1.346  -0.745  1.00  0.00           C  
HETATM   18  C   UNL     1       1.829  -0.018  -0.808  1.00  0.00           C  
HETATM   19  H   UNL     1       4.726   1.767   2.381  1.00  0.00           H  
HETATM   20  H   UNL     1       5.869   0.873   1.351  1.00  0.00           H  
HETATM   21  H   UNL     1       5.354   2.513   0.892  1.00  0.00           H  
HETATM   22  H   UNL     1       1.820  -2.619  -0.661  1.00  0.00           H  
HETATM   23  H   UNL     1       3.181  -2.803   0.307  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.396   2.104  -0.464  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.699   1.400  -2.071  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.053   2.042  -1.111  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.377   1.562  -0.313  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.288   1.055  -1.110  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.990  -0.254  -0.129  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.758   0.575   1.857  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.057   1.884   0.876  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.009  -2.892  -0.260  1.00  0.00           H  
HETATM   33  H   UNL     1       0.378   0.111  -2.368  1.00  0.00           H  
HETATM   34  H   UNL     1       0.973  -1.534  -2.042  1.00  0.00           H  
HETATM   35  H   UNL     1       1.365   2.024  -1.255  1.00  0.00           H  
CONECT    1   15   19   20   21                                       
CONECT    2   13   22   23                                            
CONECT    3   10   24   25   26                                       
CONECT    4    5   27                                                 
CONECT    5    4    6   28   29                                       
CONECT    6    5    9   30   31                                       
CONECT    7    8   11   11   32                                       
CONECT    8    7    9                                                 
CONECT    9    6    8   10   10                                       
CONECT   10    3    9    9   11                                       
CONECT   11    7    7   10   12                                       
CONECT   12   11   18   33   34                                       
CONECT   13    2   14   18   18                                       
CONECT   14   13   15   15                                            
CONECT   15    1   14   14   16                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   35                                       
CONECT   18   12   13   13   17                                       
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   17                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
