COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.074   1.087   0.600  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.120   1.970   0.192  1.00  0.00           O  
HETATM    3  S   UNL     1      -3.331   1.964   1.114  1.00  0.00           S  
HETATM    4  C   UNL     1       0.281   1.710   0.260  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.948   2.737   2.367  1.00  0.00           O  
HETATM    6  S   UNL     1       1.137   3.181  -1.537  1.00  0.00           S  
HETATM    7  C   UNL     1       1.402   0.764   0.697  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.336   2.728   0.462  1.00  0.00           O  
HETATM    9  S   UNL     1       3.761   1.039   1.393  1.00  0.00           S  
HETATM   10  C   UNL     1       1.256  -0.572  -0.035  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.521   0.614   1.518  1.00  0.00           O  
HETATM   12  S   UNL     1       2.808  -2.370  -0.733  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.099  -1.195   0.305  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.996  -3.500   0.407  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.219  -0.249  -0.132  1.00  0.00           C  
HETATM   16  S   UNL     1      -3.579  -0.524  -0.828  1.00  0.00           S  
HETATM   17  O   UNL     1       0.365   1.928  -1.150  1.00  0.00           O  
HETATM   18  O   UNL     1       2.668   1.346   0.380  1.00  0.00           O  
HETATM   19  O   UNL     1       2.303  -1.455   0.373  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.235  -2.442  -0.379  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.485  -0.831   0.185  1.00  0.00           O  
HETATM   22  O   UNL     1       0.793   4.176  -0.582  1.00  0.00           O  
HETATM   23  O   UNL     1       3.147   1.083   2.673  1.00  0.00           O  
HETATM   24  O   UNL     1       3.685  -3.301  -0.115  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.596  -3.358   1.763  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.793  -0.999  -0.263  1.00  0.00           O  
HETATM   27  O   UNL     1       2.615   2.882  -1.333  1.00  0.00           O  
HETATM   28  O   UNL     1       4.189  -0.405   1.171  1.00  0.00           O  
HETATM   29  O   UNL     1       1.666  -2.758  -1.485  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.471  -3.126   0.353  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.385   0.825  -1.232  1.00  0.00           O  
HETATM   32  O   UNL     1       0.951   3.351  -2.936  1.00  0.00           O  
HETATM   33  O   UNL     1       4.876   1.846   1.037  1.00  0.00           O  
HETATM   34  O   UNL     1       3.666  -1.522  -1.661  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.863  -4.713  -0.320  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.310  -1.383  -2.055  1.00  0.00           O  
HETATM   37  H   UNL     1      -1.138   0.920   1.675  1.00  0.00           H  
HETATM   38  H   UNL     1       0.385   2.661   0.782  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.653   2.794   3.026  1.00  0.00           H  
HETATM   40  H   UNL     1       1.338   0.597   1.773  1.00  0.00           H  
HETATM   41  H   UNL     1       1.321  -0.405  -1.110  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.163  -1.361   1.380  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.155  -0.082  -1.208  1.00  0.00           H  
HETATM   44  H   UNL     1       3.200   3.620  -1.552  1.00  0.00           H  
HETATM   45  H   UNL     1       4.887  -0.705   1.769  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.049  -3.739   0.826  1.00  0.00           H  
HETATM   47  H   UNL     1       4.041  -2.011  -2.407  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.954  -1.264  -2.767  1.00  0.00           H  
CONECT    1    4   15    2   37                                       
CONECT    2    1    3                                                 
CONECT    3    2    8    8   11                                       
CONECT    3   11    5                                                 
CONECT    4    1    7   17   38                                       
CONECT    5    3   39                                                 
CONECT    6   22   22   17   32                                       
CONECT    6   32   27                                                 
CONECT    7    4   10   18   40                                       
CONECT    8    3    3                                                 
CONECT    9   33   33   23   23                                       
CONECT    9   28   18                                                 
CONECT   10    7   19   13   41                                       
CONECT   11    3    3                                                 
CONECT   12   29   29   24   24                                       
CONECT   12   34   19                                                 
CONECT   13   10   20   15   42                                       
CONECT   14   35   35   25   25                                       
CONECT   14   30   20                                                 
CONECT   15    1   13   21   43                                       
CONECT   16   21   31   31   26                                       
CONECT   16   26   36                                                 
CONECT   17    4    6                                                 
CONECT   18    7    9                                                 
CONECT   19   10   12                                                 
CONECT   20   13   14                                                 
CONECT   21   15   16                                                 
CONECT   22    6    6                                                 
CONECT   23    9    9                                                 
CONECT   24   12   12                                                 
CONECT   25   14   14                                                 
CONECT   26   16   16                                                 
CONECT   27    6   44                                                 
CONECT   28    9   45                                                 
CONECT   29   12   12                                                 
CONECT   30   14   46                                                 
CONECT   31   16   16                                                 
CONECT   32    6    6                                                 
CONECT   33    9    9                                                 
CONECT   34   12   47                                                 
CONECT   35   14   14                                                 
CONECT   36   16   48                                                 
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   30                                                      
CONECT   47   34                                                      
CONECT   48   36                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
