COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.275  -0.826   0.754  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.471   0.035  -0.040  1.00  0.00           S  
HETATM    3  O   UNL     1      -6.594  -0.462  -1.473  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.652   1.444  -0.087  1.00  0.00           O  
HETATM    5  O   UNL     1      -5.031  -0.198   0.396  1.00  0.00           O  
HETATM    6  N   UNL     1      -4.075   0.748  -0.178  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.710   0.464   0.285  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.904   1.764   0.327  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.491   1.474   0.841  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.037  -0.518  -0.679  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.635  -0.691  -0.276  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.130  -1.921  -0.058  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.857  -2.891  -0.097  1.00  0.00           O  
HETATM   14  C   UNL     1       0.206   0.503  -0.117  1.00  0.00           C  
HETATM   15  C   UNL     1       1.544   0.106   0.452  1.00  0.00           C  
HETATM   16  O   UNL     1       1.601  -0.669   1.383  1.00  0.00           O  
HETATM   17  N   UNL     1       2.677   0.613  -0.073  1.00  0.00           N  
HETATM   18  N   UNL     1       3.921   0.244   0.456  1.00  0.00           N  
HETATM   19  C   UNL     1       5.054   0.751  -0.070  1.00  0.00           C  
HETATM   20  O   UNL     1       4.997   1.526  -1.001  1.00  0.00           O  
HETATM   21  C   UNL     1       6.392   0.354   0.499  1.00  0.00           C  
HETATM   22  C   UNL     1       7.535   1.006  -0.312  1.00  0.00           C  
HETATM   23  C   UNL     1       8.601  -0.116  -0.373  1.00  0.00           C  
HETATM   24  N   UNL     1       7.787  -1.350  -0.523  1.00  0.00           N  
HETATM   25  C   UNL     1       6.608  -1.163   0.349  1.00  0.00           C  
HETATM   26  H   UNL     1      -4.123   0.744  -1.186  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.748   0.026   1.282  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.845   2.188  -0.675  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.394   2.474   0.994  1.00  0.00           H  
HETATM   30  H   UNL     1       0.075   2.404   0.893  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.550   1.027   1.833  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.550  -1.479  -0.639  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.082  -0.123  -1.694  1.00  0.00           H  
HETATM   34  H   UNL     1       0.923  -2.043   0.153  1.00  0.00           H  
HETATM   35  H   UNL     1       0.347   0.983  -1.086  1.00  0.00           H  
HETATM   36  H   UNL     1       2.632   1.233  -0.818  1.00  0.00           H  
HETATM   37  H   UNL     1       3.967  -0.376   1.200  1.00  0.00           H  
HETATM   38  H   UNL     1       6.457   0.643   1.548  1.00  0.00           H  
HETATM   39  H   UNL     1       7.195   1.271  -1.313  1.00  0.00           H  
HETATM   40  H   UNL     1       7.923   1.883   0.206  1.00  0.00           H  
HETATM   41  H   UNL     1       9.255   0.021  -1.234  1.00  0.00           H  
HETATM   42  H   UNL     1       9.180  -0.147   0.550  1.00  0.00           H  
HETATM   43  H   UNL     1       7.509  -1.485  -1.484  1.00  0.00           H  
HETATM   44  H   UNL     1       6.793  -1.611   1.326  1.00  0.00           H  
HETATM   45  H   UNL     1       5.730  -1.620  -0.110  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.478  -0.360  -1.851  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    4    1    1                                       
CONECT    2    5    3                                                 
CONECT    3    2   46                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   26                                            
CONECT    7    6    8   10   27                                       
CONECT    8    9    7   28   29                                       
CONECT    9    8   14   30   31                                       
CONECT   10    7   11   32   33                                       
CONECT   11   12   14   10                                            
CONECT   12   13   13   11   34                                       
CONECT   13   12   12                                                 
CONECT   14    9   11   15   35                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   36                                            
CONECT   18   17   19   37                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   25   38                                       
CONECT   22   23   21   39   40                                       
CONECT   23   22   24   41   42                                       
CONECT   24   23   25   43                                            
CONECT   25   21   24   44   45                                       
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46    3                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
