COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.068   0.833  -0.057  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.040   2.729   0.002  1.00  0.00           N  
HETATM    3  O   UNL     1       5.703   1.913  -0.632  1.00  0.00           O  
HETATM    4  S   UNL     1       5.788   0.606  -0.079  1.00  0.00           S  
HETATM    5  C   UNL     1       4.146  -0.033  -0.060  1.00  0.00           C  
HETATM    6  O   UNL     1       6.611  -0.416  -0.623  1.00  0.00           O  
HETATM    7  C   UNL     1       3.939  -1.400  -0.048  1.00  0.00           C  
HETATM    8  C   UNL     1       2.653  -1.905  -0.033  1.00  0.00           C  
HETATM    9  C   UNL     1       1.568  -1.038  -0.030  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.797  -0.693  -0.012  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.069  -1.188   0.003  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.335  -0.420   0.008  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.367  -1.359   0.023  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.690  -0.913   0.031  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.979   0.415   0.025  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.952   1.385   0.010  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.624   0.951   0.001  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.950   3.399  -0.011  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.478  -2.598   0.016  1.00  0.00           C  
HETATM   20  N   UNL     1       6.258   0.796   1.497  1.00  0.00           N  
HETATM   21  C   UNL     1       1.780   0.335  -0.042  1.00  0.00           C  
HETATM   22  N   UNL     1       0.266  -1.545  -0.015  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.732  -3.561   0.016  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.821  -2.638   0.028  1.00  0.00           N  
HETATM   25  S   UNL     1      -2.586   2.373  -0.017  1.00  0.00           S  
HETATM   26  H   UNL     1       3.234   1.900  -0.062  1.00  0.00           H  
HETATM   27  H   UNL     1       4.783  -2.074  -0.051  1.00  0.00           H  
HETATM   28  H   UNL     1       2.492  -2.973  -0.024  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.633   0.375  -0.021  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.495  -1.633   0.042  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.011   0.734   0.031  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.900   4.477  -0.019  1.00  0.00           H  
HETATM   33  H   UNL     1       5.651   0.562   2.216  1.00  0.00           H  
HETATM   34  H   UNL     1       7.142   1.141   1.702  1.00  0.00           H  
HETATM   35  H   UNL     1       0.939   1.013  -0.035  1.00  0.00           H  
HETATM   36  H   UNL     1       0.119  -2.503  -0.007  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.344  -3.456   0.038  1.00  0.00           H  
CONECT    1    5   21   21   26                                       
CONECT    2   18   18   16                                            
CONECT    3    4    4                                                 
CONECT    4    3    3    6    6                                       
CONECT    4   20    5                                                 
CONECT    5    4    7    7    1                                       
CONECT    6    4    4                                                 
CONECT    7    5    5    8   27                                       
CONECT    8    7    9    9   28                                       
CONECT    9    8    8   21   22                                       
CONECT   10   22   11   11   29                                       
CONECT   11   10   10   12   19                                       
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   24                                       
CONECT   14   15   15   13   30                                       
CONECT   15   16   14   14   31                                       
CONECT   16    2   17   17   15                                       
CONECT   17   25   16   16   12                                       
CONECT   18   25    2    2   32                                       
CONECT   19   11   23   23   24                                       
CONECT   20    4   33   34                                            
CONECT   21    1    1    9   35                                       
CONECT   22    9   10   36                                            
CONECT   23   19   19                                                 
CONECT   24   13   19   37                                            
CONECT   25   18   17                                                 
CONECT   26    1                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   18                                                      
CONECT   33   20                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   24                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
