COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.065   0.444   1.111  1.00  0.00           C  
HETATM    2  C   UNL     1       7.372   1.975   1.034  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.688   0.414   1.723  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.655   0.100   0.639  1.00  0.00           C  
HETATM    5  C   UNL     1       6.060   1.126  -1.265  1.00  0.00           C  
HETATM    6  C   UNL     1       1.707  -0.230   0.222  1.00  0.00           C  
HETATM    7  C   UNL     1       3.035   0.328   0.666  1.00  0.00           C  
HETATM    8  C   UNL     1       4.063   0.551  -0.284  1.00  0.00           C  
HETATM    9  C   UNL     1       4.003   0.312  -1.640  1.00  0.00           C  
HETATM   10  C   UNL     1       7.366   1.599  -1.339  1.00  0.00           C  
HETATM   11  C   UNL     1       8.013   2.014  -0.195  1.00  0.00           C  
HETATM   12  N   UNL     1      -8.271   0.878   0.488  1.00  0.00           N  
HETATM   13  N   UNL     1       0.687   0.070   1.235  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.821  -0.712   1.051  1.00  0.00           C  
HETATM   15  N   UNL     1       5.174   0.654  -2.212  1.00  0.00           N  
HETATM   16  S   UNL     1      -7.201   0.536  -0.728  1.00  0.00           S  
HETATM   17  O   UNL     1      -7.482  -0.792  -1.149  1.00  0.00           O  
HETATM   18  O   UNL     1      -7.223   1.651  -1.608  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.591   0.500  -0.012  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.083  -0.684   0.489  1.00  0.00           C  
HETATM   21  O   UNL     1       3.224   0.585   1.837  1.00  0.00           O  
HETATM   22  C   UNL     1       6.076   1.515   1.127  1.00  0.00           C  
HETATM   23  C   UNL     1       5.412   1.088  -0.020  1.00  0.00           C  
HETATM   24  C   UNL     1       1.821  -1.722   0.049  1.00  0.00           C  
HETATM   25  C   UNL     1       1.756  -2.553   1.153  1.00  0.00           C  
HETATM   26  C   UNL     1       1.860  -3.922   0.995  1.00  0.00           C  
HETATM   27  C   UNL     1       2.030  -4.461  -0.267  1.00  0.00           C  
HETATM   28  C   UNL     1       2.095  -3.631  -1.370  1.00  0.00           C  
HETATM   29  C   UNL     1       1.986  -2.262  -1.212  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.575   1.629   0.614  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.840   1.658   0.058  1.00  0.00           C  
HETATM   32  H   UNL     1       7.891   2.303   1.922  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.466   1.384   2.166  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.651  -0.356   2.494  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.877  -0.871   0.196  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.693   0.868  -0.133  1.00  0.00           H  
HETATM   37  H   UNL     1       1.421   0.225  -0.727  1.00  0.00           H  
HETATM   38  H   UNL     1       3.147  -0.085  -2.165  1.00  0.00           H  
HETATM   39  H   UNL     1       7.872   1.642  -2.292  1.00  0.00           H  
HETATM   40  H   UNL     1       9.030   2.373  -0.256  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.671   0.157   0.999  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.498   1.799   0.690  1.00  0.00           H  
HETATM   43  H   UNL     1       0.891   0.937   1.709  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.424  -1.637   1.442  1.00  0.00           H  
HETATM   45  H   UNL     1       5.369   0.575  -3.159  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.674  -1.587   0.442  1.00  0.00           H  
HETATM   47  H   UNL     1       5.577   1.486   2.084  1.00  0.00           H  
HETATM   48  H   UNL     1       1.623  -2.131   2.138  1.00  0.00           H  
HETATM   49  H   UNL     1       1.810  -4.570   1.857  1.00  0.00           H  
HETATM   50  H   UNL     1       2.112  -5.531  -0.390  1.00  0.00           H  
HETATM   51  H   UNL     1       2.227  -4.052  -2.356  1.00  0.00           H  
HETATM   52  H   UNL     1       2.032  -1.614  -2.075  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.985   2.533   0.662  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.238   2.585  -0.329  1.00  0.00           H  
CONECT    1    3   30   30   14                                       
CONECT    2   22   11   11   32                                       
CONECT    3    1    4   33   34                                       
CONECT    4    3   13   35   36                                       
CONECT    5   23   15   10   10                                       
CONECT    6   13   24    7   37                                       
CONECT    7    6   21   21    8                                       
CONECT    8    7    9    9   23                                       
CONECT    9    8    8   15   38                                       
CONECT   10    5    5   11   39                                       
CONECT   11    2    2   10   40                                       
CONECT   12   16   41   42                                            
CONECT   13    4    6   43                                            
CONECT   14    1   20   20   44                                       
CONECT   15    9    5   45                                            
CONECT   16   17   17   19   12                                       
CONECT   16   18   18                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   31   31   20   16                                       
CONECT   20   14   14   19   46                                       
CONECT   21    7    7                                                 
CONECT   22   23   23    2   47                                       
CONECT   23    8   22   22    5                                       
CONECT   24    6   25   25   29                                       
CONECT   25   24   24   26   48                                       
CONECT   26   25   27   27   49                                       
CONECT   27   26   26   28   50                                       
CONECT   28   29   29   27   51                                       
CONECT   29   24   28   28   52                                       
CONECT   30    1    1   31   53                                       
CONECT   31   30   19   19   54                                       
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
