COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.763  10.082  86.005  1.00  0.00           C  
HETATM    2  C   UNL     1       7.084   9.795  87.232  1.00  0.00           C  
HETATM    3  C   UNL     1       8.014   9.011  85.104  1.00  0.00           C  
HETATM    4  C   UNL     1       7.609   7.698  85.415  1.00  0.00           C  
HETATM    5  C   UNL     1       6.950   7.438  86.631  1.00  0.00           C  
HETATM    6  C   UNL     1       6.687   8.486  87.541  1.00  0.00           C  
HETATM    7  C   UNL     1       8.241  11.492  85.681  1.00  0.00           C  
HETATM    8  C   UNL     1       9.350  12.082  86.590  1.00  0.00           C  
HETATM    9  C   UNL     1      10.791  11.583  86.341  1.00  0.00           C  
HETATM   10  C   UNL     1      11.634  11.690  87.621  1.00  0.00           C  
HETATM   11  S   UNL     1      13.317  11.078  87.333  1.00  0.00           S  
HETATM   12  C   UNL     1      11.489  12.506  85.248  1.00  0.00           C  
HETATM   13  O   UNL     1      11.536  13.706  85.428  1.00  0.00           O  
HETATM   14  N   UNL     1      12.046  12.001  84.135  1.00  0.00           N  
HETATM   15  CA  UNL     1      12.776  10.773  83.856  1.00  0.00           C  
HETATM   16  C   UNL     1      14.313  10.921  84.074  1.00  0.00           C  
HETATM   17  O   UNL     1      14.977  11.805  83.648  1.00  0.00           O  
HETATM   18  OXT UNL     1      14.820   9.889  84.760  1.00  0.00           O  
HETATM   19  C   UNL     1      12.535  10.389  82.427  1.00  0.00           C  
HETATM   20  C   UNL     1      11.890  11.073  81.457  1.00  0.00           C  
HETATM   21  C   UNL     1      11.711  10.271  80.237  1.00  0.00           C  
HETATM   22  C   UNL     1      12.461   9.148  80.248  1.00  0.00           C  
HETATM   23  S   UNL     1      13.163   8.877  81.844  1.00  0.00           S  
HETATM   24  C   UNL     1      12.754   8.147  79.119  1.00  0.00           C  
HETATM   25  N   UNL     1      14.128   8.039  78.488  1.00  0.00           N  
HETATM   26  C   UNL     1      15.334   8.470  79.105  1.00  0.00           C  
HETATM   27  N   UNL     1      16.267   9.010  78.238  1.00  0.00           N  
HETATM   28  N   UNL     1      15.573   9.110  77.039  1.00  0.00           N  
HETATM   29  N   UNL     1      14.199   8.783  77.262  1.00  0.00           N  
HETATM   30  H   UNL     1       6.862  10.598  87.954  1.00  0.00           H  
HETATM   31  H   UNL     1       8.531   9.201  84.148  1.00  0.00           H  
HETATM   32  H   UNL     1       7.807   6.875  84.707  1.00  0.00           H  
HETATM   33  H   UNL     1       6.638   6.407  86.872  1.00  0.00           H  
HETATM   34  H   UNL     1       6.170   8.281  88.494  1.00  0.00           H  
HETATM   35  H   UNL     1       8.567  11.539  84.615  1.00  0.00           H  
HETATM   36  H   UNL     1       7.368  12.185  85.659  1.00  0.00           H  
HETATM   37  H   UNL     1       9.325  13.195  86.534  1.00  0.00           H  
HETATM   38  H   UNL     1       9.079  11.924  87.660  1.00  0.00           H  
HETATM   39  H   UNL     1      10.731  10.521  86.005  1.00  0.00           H  
HETATM   40  H   UNL     1      11.635  12.727  88.029  1.00  0.00           H  
HETATM   41  H   UNL     1      11.147  11.172  88.480  1.00  0.00           H  
HETATM   42  H   UNL     1      13.838  11.144  88.124  1.00  0.00           H  
HETATM   43  HXT UNL     1      15.756   9.979  84.892  1.00  0.00           H  
HETATM   44  H   UNL     1      11.564  12.112  81.631  1.00  0.00           H  
HETATM   45  H   UNL     1      11.060  10.495  79.375  1.00  0.00           H  
HETATM   46  H   UNL     1      12.461   7.132  79.477  1.00  0.00           H  
HETATM   47  H   UNL     1      12.016   8.326  78.302  1.00  0.00           H  
HETATM   48  H   UNL     1      15.533   8.390  80.187  1.00  0.00           H  
CONECT    1    2    2    3    7                                       
CONECT    2    1    1    6   30                                       
CONECT    3    1    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    2    5    5   34                                       
CONECT    7    1    8   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   12   39                                       
CONECT   10    9   11   40   41                                       
CONECT   11   10   42                                                 
CONECT   12    9   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   15                                            
CONECT   15   14   14   16   19                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   43                                                 
CONECT   19   15   20   20   23                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   22   22   45                                       
CONECT   22   21   21   23   24                                       
CONECT   23   19   22                                                 
CONECT   24   22   25   46   47                                       
CONECT   25   24   26   29                                            
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29                                            
CONECT   29   25   28   28                                            
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
