COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.295  -1.708   0.122  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.614  -0.666   0.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.954  -0.951   0.097  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.340  -2.281   0.281  1.00  0.00           C  
HETATM    5  S   UNL     1      -0.768  -3.125   0.339  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.642  -2.821   0.393  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.809  -4.149   0.569  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.612  -2.088   0.330  1.00  0.00           O  
HETATM    9  N   UNL     1      -2.906   0.060  -0.002  1.00  0.00           N  
HETATM   10  S   UNL     1      -2.644   1.347  -1.011  1.00  0.00           S  
HETATM   11  O   UNL     1      -3.789   2.179  -0.881  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.166   0.791  -2.229  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.301   2.273  -0.347  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.124   2.393  -1.062  1.00  0.00           C  
HETATM   15  C   UNL     1       0.930   3.120  -0.540  1.00  0.00           C  
HETATM   16  C   UNL     1       0.807   3.727   0.696  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.371   3.608   1.410  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.426   2.884   0.886  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.710   2.755   1.665  1.00  0.00           C  
HETATM   20  C   UNL     1       1.956   4.519   1.264  1.00  0.00           C  
HETATM   21  C   UNL     1       1.763  -1.658   0.069  1.00  0.00           C  
HETATM   22  C   UNL     1       2.677  -2.701   0.174  1.00  0.00           C  
HETATM   23  C   UNL     1       4.007  -2.418   0.089  1.00  0.00           C  
HETATM   24  C   UNL     1       4.398  -1.092  -0.087  1.00  0.00           C  
HETATM   25  S   UNL     1       2.829  -0.242  -0.147  1.00  0.00           S  
HETATM   26  C   UNL     1       5.700  -0.559  -0.197  1.00  0.00           C  
HETATM   27  C   UNL     1       5.894   0.923  -0.393  1.00  0.00           C  
HETATM   28  O   UNL     1       6.665  -1.294  -0.134  1.00  0.00           O  
HETATM   29  H   UNL     1      -0.274   0.349  -0.118  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.762  -4.306   0.620  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.722   0.012   0.520  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.027   1.919  -2.027  1.00  0.00           H  
HETATM   33  H   UNL     1       1.850   3.213  -1.098  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.467   4.083   2.375  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.415   3.517   1.333  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.139   1.767   1.497  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.506   2.886   2.727  1.00  0.00           H  
HETATM   38  H   UNL     1       1.872   5.559   0.949  1.00  0.00           H  
HETATM   39  H   UNL     1       1.930   4.467   2.353  1.00  0.00           H  
HETATM   40  H   UNL     1       2.897   4.104   0.903  1.00  0.00           H  
HETATM   41  H   UNL     1       2.339  -3.717   0.315  1.00  0.00           H  
HETATM   42  H   UNL     1       4.744  -3.204   0.166  1.00  0.00           H  
HETATM   43  H   UNL     1       5.908   1.149  -1.459  1.00  0.00           H  
HETATM   44  H   UNL     1       5.075   1.462   0.082  1.00  0.00           H  
HETATM   45  H   UNL     1       6.839   1.228   0.056  1.00  0.00           H  
CONECT    1    2    2    5   21                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3    5    6                                       
CONECT    5    1    4                                                 
CONECT    6    4    7    8    8                                       
CONECT    7    6   30                                                 
CONECT    8    6    6                                                 
CONECT    9    3   10   31                                            
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   14   18                                       
CONECT   14   13   13   15   32                                       
CONECT   15   14   16   16   33                                       
CONECT   16   15   15   17   20                                       
CONECT   17   16   18   18   34                                       
CONECT   18   13   17   17   19                                       
CONECT   19   18   35   36   37                                       
CONECT   20   16   38   39   40                                       
CONECT   21    1   22   22   25                                       
CONECT   22   21   21   23   41                                       
CONECT   23   22   24   24   42                                       
CONECT   24   23   23   25   26                                       
CONECT   25   21   24                                                 
CONECT   26   24   27   28   28                                       
CONECT   27   26   43   44   45                                       
CONECT   28   26   26                                                 
CONECT   29    2                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
