COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.137   0.648  -0.023  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.967  -0.737  -0.128  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.687  -1.248  -0.217  1.00  0.00           C  
HETATM    4  N   UNL     1       0.341  -0.406  -0.199  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.063   1.428  -0.012  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.462  -3.113  -0.276  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.951  -1.737  -0.159  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.288  -1.593  -0.093  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.924  -2.630  -0.141  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.066  -0.410   0.023  1.00  0.00           C  
HETATM   11  S   UNL     1      -6.825  -0.454   0.093  1.00  0.00           S  
HETATM   12  C   UNL     1      -6.917   1.243   0.219  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.705   1.792   0.208  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.642   0.903   0.100  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.315   1.371   0.071  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.156   2.825   0.170  1.00  0.00           C  
HETATM   17  C   UNL     1       0.150   0.899  -0.099  1.00  0.00           C  
HETATM   18  N   UNL     1       1.253   1.741  -0.084  1.00  0.00           N  
HETATM   19  C   UNL     1       2.543   1.203  -0.060  1.00  0.00           C  
HETATM   20  C   UNL     1       3.578   1.847  -0.726  1.00  0.00           C  
HETATM   21  C   UNL     1       4.851   1.312  -0.701  1.00  0.00           C  
HETATM   22  C   UNL     1       5.096   0.137  -0.014  1.00  0.00           C  
HETATM   23  S   UNL     1       6.722  -0.541   0.016  1.00  0.00           S  
HETATM   24  O   UNL     1       6.573  -1.930   0.277  1.00  0.00           O  
HETATM   25  O   UNL     1       7.390  -0.033  -1.131  1.00  0.00           O  
HETATM   26  N   UNL     1       7.497   0.101   1.331  1.00  0.00           N  
HETATM   27  C   UNL     1       4.068  -0.506   0.650  1.00  0.00           C  
HETATM   28  C   UNL     1       2.793   0.026   0.633  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.524  -2.313  -0.299  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.812  -3.341   0.569  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.308  -3.800  -0.280  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.902  -3.221  -1.205  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.839   1.800   0.296  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.556   2.859   0.278  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.096   3.076   0.150  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.659   3.303  -0.670  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.596   3.175   1.104  1.00  0.00           H  
HETATM   38  H   UNL     1       1.129   2.703  -0.090  1.00  0.00           H  
HETATM   39  H   UNL     1       3.387   2.764  -1.263  1.00  0.00           H  
HETATM   40  H   UNL     1       5.656   1.812  -1.219  1.00  0.00           H  
HETATM   41  H   UNL     1       7.034   0.729   1.908  1.00  0.00           H  
HETATM   42  H   UNL     1       8.413  -0.150   1.524  1.00  0.00           H  
HETATM   43  H   UNL     1       4.262  -1.424   1.185  1.00  0.00           H  
HETATM   44  H   UNL     1       1.992  -0.475   1.156  1.00  0.00           H  
CONECT    1    2    2    5   15                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3   17                                            
CONECT    5    1   17   17                                            
CONECT    6    7   30   31   32                                       
CONECT    7    2    6    8                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   14   14                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   33                                       
CONECT   13   12   12   14   34                                       
CONECT   14   10   10   13   15                                       
CONECT   15    1   14   16                                            
CONECT   16   15   35   36   37                                       
CONECT   17    4    5    5   18                                       
CONECT   18   17   19   38                                            
CONECT   19   18   20   20   28                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   22   22   40                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   41   42                                            
CONECT   27   22   28   28   43                                       
CONECT   28   19   27   27   44                                       
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
