COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.660   0.403   0.928  1.00  0.00           C  
HETATM    2  C   UNL     1       5.976   0.519   0.488  1.00  0.00           C  
HETATM    3  S   UNL     1       7.427   1.088   1.309  1.00  0.00           S  
HETATM    4  C   UNL     1       8.379   0.792  -0.139  1.00  0.00           C  
HETATM    5  N   UNL     1       9.736   1.026  -0.252  1.00  0.00           N  
HETATM    6  N   UNL     1       7.633   0.324  -1.079  1.00  0.00           N  
HETATM    7  C   UNL     1       6.321   0.149  -0.815  1.00  0.00           C  
HETATM    8  C   UNL     1       5.308  -0.342  -1.665  1.00  0.00           C  
HETATM    9  C   UNL     1       4.024  -0.452  -1.225  1.00  0.00           C  
HETATM   10  C   UNL     1       3.686  -0.087   0.076  1.00  0.00           C  
HETATM   11  S   UNL     1       2.020  -0.236   0.630  1.00  0.00           S  
HETATM   12  C   UNL     1       1.162  -0.891  -0.828  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.299  -1.077  -0.510  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.743  -2.279   0.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.079  -2.454   0.311  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.191  -0.043  -0.736  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.529  -0.206  -0.446  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.983  -1.415   0.086  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.415  -1.595   0.403  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.808  -2.650   0.862  1.00  0.00           O  
HETATM   21  N   UNL     1      -5.286  -0.590   0.184  1.00  0.00           N  
HETATM   22  C   UNL     1      -6.706  -0.768   0.499  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.457   0.494   0.164  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.996   0.664  -1.098  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.685   1.822  -1.405  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.836   2.810  -0.451  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.297   2.641   0.811  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.613   1.480   1.120  1.00  0.00           C  
HETATM   29  H   UNL     1       4.400   0.690   1.936  1.00  0.00           H  
HETATM   30  H   UNL     1      10.231   1.380   0.503  1.00  0.00           H  
HETATM   31  H   UNL     1      10.193   0.837  -1.086  1.00  0.00           H  
HETATM   32  H   UNL     1       5.553  -0.628  -2.678  1.00  0.00           H  
HETATM   33  H   UNL     1       3.262  -0.830  -1.890  1.00  0.00           H  
HETATM   34  H   UNL     1       1.267  -0.191  -1.657  1.00  0.00           H  
HETATM   35  H   UNL     1       1.598  -1.851  -1.105  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.042  -3.082   0.187  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.424  -3.393   0.718  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.837   0.894  -1.139  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.224   0.602  -0.623  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.973   0.252  -0.182  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.106  -1.596  -0.087  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.818  -0.987   1.561  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.878  -0.109  -1.844  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.106   1.954  -2.391  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.374   3.715  -0.691  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.415   3.413   1.557  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.192   1.348   2.106  1.00  0.00           H  
CONECT    1   10   10    2   29                                       
CONECT    2    7    7    1    3                                       
CONECT    3    4    2                                                 
CONECT    4    6    6    5    3                                       
CONECT    5    4   30   31                                            
CONECT    6    7    4    4                                            
CONECT    7    8    6    2    2                                       
CONECT    8    9    9    7   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9    1    1   11                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   34   35                                       
CONECT   13   14   14   16   12                                       
CONECT   14   15   13   13   36                                       
CONECT   15   18   18   14   37                                       
CONECT   16   17   17   13   38                                       
CONECT   17   18   16   16   39                                       
CONECT   18   19   15   15   17                                       
CONECT   19   20   20   21   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   40                                            
CONECT   22   23   21   41   42                                       
CONECT   23   28   22   24   24                                       
CONECT   24   23   23   25   43                                       
CONECT   25   26   26   24   44                                       
CONECT   26   27   25   25   45                                       
CONECT   27   28   28   26   46                                       
CONECT   28   27   27   23   47                                       
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
