COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.030  -2.339   0.479  1.00  0.00           C  
HETATM    2  C   UNL     1       0.924  -3.124   0.755  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.337  -2.719   0.351  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.418  -3.493   0.624  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.097  -0.549  -2.561  1.00  0.00           O  
HETATM    6  O   UNL     1      -5.212   3.593   1.823  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.933   1.326   1.829  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.925   0.072   1.250  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.182  -0.158   0.106  1.00  0.00           C  
HETATM   10  C   UNL     1       0.614  -0.714  -0.621  1.00  0.00           C  
HETATM   11  C   UNL     1       1.878  -1.126  -0.213  1.00  0.00           C  
HETATM   12  C   UNL     1       3.059  -0.289  -0.507  1.00  0.00           C  
HETATM   13  C   UNL     1       3.370   0.225  -1.728  1.00  0.00           C  
HETATM   14  C   UNL     1       4.521   0.975  -1.759  1.00  0.00           C  
HETATM   15  C   UNL     1       5.163   1.082  -0.562  1.00  0.00           C  
HETATM   16  C   UNL     1       6.377   1.808  -0.339  1.00  0.00           C  
HETATM   17  C   UNL     1       7.373   2.403  -0.157  1.00  0.00           C  
HETATM   18  C   UNL     1       8.621   3.149   0.072  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.810  -1.770  -0.526  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.841  -1.077  -0.771  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.994   0.085  -1.435  1.00  0.00           N  
HETATM   22  S   UNL     1      -3.502   0.570  -1.918  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.335   1.831  -2.552  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.447   0.867  -0.461  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.201   2.357   1.259  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.001   3.760   3.003  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.452   2.122   0.115  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.499  -1.508  -0.341  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.180  -4.712   1.331  1.00  0.00           C  
HETATM   30  O   UNL     1       3.262  -2.738   0.881  1.00  0.00           O  
HETATM   31  C   UNL     1       3.344  -3.979   1.585  1.00  0.00           C  
HETATM   32  S   UNL     1       4.270   0.200   0.670  1.00  0.00           S  
HETATM   33  O   UNL     1       8.997   3.039   1.446  1.00  0.00           O  
HETATM   34  H   UNL     1       1.046  -4.056   1.287  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.513   1.505   2.722  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.498  -0.730   1.691  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.177  -1.139  -0.345  1.00  0.00           H  
HETATM   38  H   UNL     1       0.494   0.219  -1.153  1.00  0.00           H  
HETATM   39  H   UNL     1       2.761   0.057  -2.603  1.00  0.00           H  
HETATM   40  H   UNL     1       4.888   1.443  -2.661  1.00  0.00           H  
HETATM   41  H   UNL     1       9.411   2.736  -0.555  1.00  0.00           H  
HETATM   42  H   UNL     1       8.468   4.198  -0.180  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.221   0.638  -1.630  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.922   4.791   3.350  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.043   3.531   2.779  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.639   3.087   3.780  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.877   2.922  -0.329  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.507  -5.343   0.751  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.728  -4.489   2.297  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.125  -5.233   1.484  1.00  0.00           H  
HETATM   51  H   UNL     1       2.968  -4.782   0.951  1.00  0.00           H  
HETATM   52  H   UNL     1       4.383  -4.180   1.849  1.00  0.00           H  
HETATM   53  H   UNL     1       2.743  -3.922   2.493  1.00  0.00           H  
HETATM   54  H   UNL     1       9.812   3.507   1.670  1.00  0.00           H  
CONECT    1   11   30    2    2                                       
CONECT    2    1    1    3   34                                       
CONECT    3   28   28    2    4                                       
CONECT    4    3   29                                                 
CONECT    5   22   22                                                 
CONECT    6   26   25                                                 
CONECT    7   25   25    8   35                                       
CONECT    8    9    9    7   36                                       
CONECT    9   24    8    8   37                                       
CONECT   10   11   11   28   38                                       
CONECT   11   12   10   10    1                                       
CONECT   12   13   13   32   11                                       
CONECT   13   14   12   12   39                                       
CONECT   14   15   15   13   40                                       
CONECT   15   16   14   14   32                                       
CONECT   16   17   17   17   15                                       
CONECT   17   18   16   16   16                                       
CONECT   18   33   17   41   42                                       
CONECT   19   20   20                                                 
CONECT   20   28   21   19   19                                       
CONECT   21   20   22   43                                            
CONECT   22   21    5    5   23                                       
CONECT   22   23   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   27   27    9                                       
CONECT   25   27    6    7    7                                       
CONECT   26    6   44   45   46                                       
CONECT   27   24   24   25   47                                       
CONECT   28   10   20    3    3                                       
CONECT   29    4   48   49   50                                       
CONECT   30    1   31                                                 
CONECT   31   30   51   52   53                                       
CONECT   32   15   12                                                 
CONECT   33   18   54                                                 
CONECT   34    2                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
