COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.427   0.755   0.954  1.00  0.00           C  
HETATM    2  C   UNL     1       5.677  -2.631   0.320  1.00  0.00           C  
HETATM    3  C   UNL     1       2.093  -0.693   0.607  1.00  0.00           C  
HETATM    4  C   UNL     1       1.627   2.973  -3.500  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.713   1.829   2.446  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.964   2.290   2.077  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.808   1.102  -0.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.217  -2.567  -0.171  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.175  -4.149  -2.003  1.00  0.00           C  
HETATM   10  O   UNL     1       0.140  -0.691  -1.391  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.544   0.120  -0.803  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.816  -0.179  -0.511  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.549   0.648   0.355  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.005   1.004   1.587  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.418   0.387   2.042  1.00  0.00           S  
HETATM   16  C   UNL     1       0.700   1.354   0.974  1.00  0.00           C  
HETATM   17  C   UNL     1       2.036   0.663   0.873  1.00  0.00           C  
HETATM   18  C   UNL     1       3.202   1.386   1.046  1.00  0.00           C  
HETATM   19  C   UNL     1       4.487  -0.605   0.687  1.00  0.00           C  
HETATM   20  O   UNL     1       5.692  -1.229   0.597  1.00  0.00           O  
HETATM   21  C   UNL     1       3.316  -1.328   0.514  1.00  0.00           C  
HETATM   22  C   UNL     1       0.049   1.442  -0.416  1.00  0.00           C  
HETATM   23  O   UNL     1       1.055   1.821  -1.393  1.00  0.00           O  
HETATM   24  C   UNL     1       0.640   2.544  -2.445  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.524   2.850  -2.547  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.510   1.927   0.859  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.442  -1.368  -1.094  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.844  -3.760  -0.755  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.857  -4.872   0.205  1.00  0.00           C  
HETATM   30  H   UNL     1       5.338   1.321   1.085  1.00  0.00           H  
HETATM   31  H   UNL     1       5.137  -3.151   1.110  1.00  0.00           H  
HETATM   32  H   UNL     1       5.184  -2.807  -0.636  1.00  0.00           H  
HETATM   33  H   UNL     1       6.701  -3.002   0.274  1.00  0.00           H  
HETATM   34  H   UNL     1       1.181  -1.255   0.472  1.00  0.00           H  
HETATM   35  H   UNL     1       1.110   3.547  -4.269  1.00  0.00           H  
HETATM   36  H   UNL     1       2.400   3.592  -3.044  1.00  0.00           H  
HETATM   37  H   UNL     1       2.085   2.092  -3.950  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.289   2.115   3.397  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.517   2.937   2.742  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.236   0.821  -0.953  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.147  -2.740  -0.054  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.660  -2.364   0.804  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.703  -4.991  -2.451  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.180  -3.307  -2.696  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.146  -4.437  -1.789  1.00  0.00           H  
HETATM   46  H   UNL     1       0.832   2.355   1.386  1.00  0.00           H  
HETATM   47  H   UNL     1       3.154   2.444   1.254  1.00  0.00           H  
HETATM   48  H   UNL     1       3.360  -2.387   0.306  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.736   2.197  -0.398  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.492   2.280   0.583  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.999  -1.572  -2.069  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.512  -1.195  -1.210  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.833  -5.119   0.488  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.419  -4.580   1.092  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.327  -5.742  -0.253  1.00  0.00           H  
CONECT    1   18   18   19   30                                       
CONECT    2   20   31   32   33                                       
CONECT    3   17   17   21   34                                       
CONECT    4   24   35   36   37                                       
CONECT    5   14    6    6   38                                       
CONECT    6    5    5   26   39                                       
CONECT    7   13   26   26   40                                       
CONECT    8   28   27   41   42                                       
CONECT    9   28   43   44   45                                       
CONECT   10   11   11                                                 
CONECT   11   10   10   22   12                                       
CONECT   12   11   27   13                                            
CONECT   13   12   14   14    7                                       
CONECT   14   15   13   13    5                                       
CONECT   15   16   14                                                 
CONECT   16   22   17   15   46                                       
CONECT   17   18   16    3    3                                       
CONECT   18    1    1   17   47                                       
CONECT   19    1   20   21   21                                       
CONECT   20   19    2                                                 
CONECT   21   19   19    3   48                                       
CONECT   22   23   11   16   49                                       
CONECT   23   24   22                                                 
CONECT   24    4   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26    7    7    6   50                                       
CONECT   27   12    8   51   52                                       
CONECT   28    9   29    8                                            
CONECT   29   28   53   54   55                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
