COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.842  -0.248  -0.193  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.072  -0.885  -0.028  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.126  -2.274   0.113  1.00  0.00           C  
HETATM    4  C   UNL     1       1.634  -0.336  -0.398  1.00  0.00           C  
HETATM    5  C   UNL     1       3.985   0.547  -0.334  1.00  0.00           C  
HETATM    6  C   UNL     1       3.211   1.058  -1.332  1.00  0.00           C  
HETATM    7  C   UNL     1       1.926   0.573  -1.367  1.00  0.00           C  
HETATM    8  C   UNL     1       5.353   0.895  -0.090  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.394   1.770   1.636  1.00  0.00           C  
HETATM   10  C   UNL     1       6.474   1.179   0.109  1.00  0.00           C  
HETATM   11  C   UNL     1       7.880   1.536   0.359  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.966  -3.019   0.089  1.00  0.00           C  
HETATM   13  C   UNL     1       0.262  -2.396  -0.076  1.00  0.00           C  
HETATM   14  C   UNL     1       0.327  -1.002  -0.224  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.316  -0.091   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.455  -2.960   0.292  1.00  0.00           C  
HETATM   17  O   UNL     1       1.400  -3.134  -0.099  1.00  0.00           O  
HETATM   18  C   UNL     1       1.258  -4.548   0.052  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.395  -0.652   0.029  1.00  0.00           O  
HETATM   20  N   UNL     1      -3.257   1.256  -0.007  1.00  0.00           N  
HETATM   21  S   UNL     1       3.049  -0.604   0.610  1.00  0.00           S  
HETATM   22  S   UNL     1      -4.653   2.146   0.023  1.00  0.00           S  
HETATM   23  O   UNL     1      -5.440   1.600  -1.026  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.209   3.495  -0.019  1.00  0.00           O  
HETATM   25  O   UNL     1       7.976   2.937   0.623  1.00  0.00           O  
HETATM   26  H   UNL     1      -0.797   0.826  -0.302  1.00  0.00           H  
HETATM   27  H   UNL     1       3.579   1.787  -2.040  1.00  0.00           H  
HETATM   28  H   UNL     1       1.205   0.889  -2.106  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.707   2.064   2.429  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.329   2.321   1.743  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.592   0.701   1.704  1.00  0.00           H  
HETATM   32  H   UNL     1       8.249   0.978   1.219  1.00  0.00           H  
HETATM   33  H   UNL     1       8.479   1.290  -0.518  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.014  -4.093   0.198  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.917  -3.119  -0.682  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.305  -3.921   0.785  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.106  -2.336   0.905  1.00  0.00           H  
HETATM   38  H   UNL     1       0.787  -4.766   1.010  1.00  0.00           H  
HETATM   39  H   UNL     1       0.639  -4.940  -0.755  1.00  0.00           H  
HETATM   40  H   UNL     1       2.242  -5.017   0.016  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.397   1.703  -0.031  1.00  0.00           H  
HETATM   42  H   UNL     1       8.877   3.244   0.797  1.00  0.00           H  
CONECT    1   14   14    2   26                                       
CONECT    2    1   15    3    3                                       
CONECT    3    2    2   12   16                                       
CONECT    4    7    7   21   14                                       
CONECT    5    8    6    6   21                                       
CONECT    6    5    5    7   27                                       
CONECT    7    6    4    4   28                                       
CONECT    8   10   10   10    5                                       
CONECT    9   22   29   30   31                                       
CONECT   10   11    8    8    8                                       
CONECT   11   25   10   32   33                                       
CONECT   12   13   13    3   34                                       
CONECT   13   14   17   12   12                                       
CONECT   14    4    1    1   13                                       
CONECT   15    2   20   19   19                                       
CONECT   16    3   35   36   37                                       
CONECT   17   13   18                                                 
CONECT   18   17   38   39   40                                       
CONECT   19   15   15                                                 
CONECT   20   15   22   41                                            
CONECT   21    5    4                                                 
CONECT   22   23   23   20   24                                       
CONECT   22   24    9                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   11   42                                                 
CONECT   26    1                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
