COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.613  -0.655  -0.562  1.00  0.00           C  
HETATM    2  C   UNL     1       3.176  -1.963   0.986  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.276   0.956   0.870  1.00  0.00           N  
HETATM    4  O   UNL     1       5.497  -1.153   1.977  1.00  0.00           O  
HETATM    5  OXT UNL     1       2.541   3.610  -0.113  1.00  0.00           O  
HETATM    6  O   UNL     1      -7.362  -1.408   0.165  1.00  0.00           O  
HETATM    7  O   UNL     1      -7.600   0.425  -1.518  1.00  0.00           O  
HETATM    8  O   UNL     1       1.007   2.611   1.151  1.00  0.00           O  
HETATM    9  O   UNL     1       6.176  -0.689  -2.505  1.00  0.00           O  
HETATM   10  C   UNL     1       5.227  -0.374   1.095  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.095   0.072  -0.923  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.472  -0.668   0.414  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.056  -1.244   0.908  1.00  0.00           C  
HETATM   14  N   UNL     1       3.579   1.011  -0.748  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.560   0.262  -0.864  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.378  -0.171  -0.626  1.00  0.00           N  
HETATM   17  S   UNL     1       0.384  -0.055   1.396  1.00  0.00           S  
HETATM   18  C   UNL     1       1.952   2.505   0.391  1.00  0.00           C  
HETATM   19  CA  UNL     1       2.432   1.223   0.035  1.00  0.00           C  
HETATM   20  C   UNL     1       6.266  -0.235  -1.153  1.00  0.00           C  
HETATM   21  C   UNL     1       2.631  -1.088  -0.145  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.100  -0.952  -0.199  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.717  -0.884   0.224  1.00  0.00           C  
HETATM   24  C   UNL     1       5.133  -0.853  -0.331  1.00  0.00           C  
HETATM   25  C   UNL     1       3.786  -0.433  -0.922  1.00  0.00           C  
HETATM   26  C   UNL     1       1.839   0.074   0.411  1.00  0.00           C  
HETATM   27  S   UNL     1      -7.010  -0.131  -0.351  1.00  0.00           S  
HETATM   28  H   UNL     1       8.420  -0.215  -1.147  1.00  0.00           H  
HETATM   29  H   UNL     1       7.681  -0.309   0.469  1.00  0.00           H  
HETATM   30  H   UNL     1       7.697  -1.742  -0.586  1.00  0.00           H  
HETATM   31  H   UNL     1       3.618  -1.329   1.755  1.00  0.00           H  
HETATM   32  H   UNL     1       2.364  -2.547   1.418  1.00  0.00           H  
HETATM   33  H   UNL     1       3.937  -2.636   0.589  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.697   0.666   1.694  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.010   1.882   0.761  1.00  0.00           H  
HETATM   36  HXT UNL     1       2.144   4.439   0.187  1.00  0.00           H  
HETATM   37  H   UNL     1       6.244  -1.649  -2.603  1.00  0.00           H  
HETATM   38  H   UNL     1       5.054   0.666   1.327  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.815  -0.368  -1.880  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.588   1.028  -0.791  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.372   0.084   1.197  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.877  -1.585   0.840  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.228  -0.608   1.777  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.074  -2.296   1.192  1.00  0.00           H  
HETATM   45  H   UNL     1       4.142   1.709  -1.119  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.948   0.370  -1.789  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.021   0.134  -1.474  1.00  0.00           H  
HETATM   48  H   UNL     1       6.182   0.851  -1.128  1.00  0.00           H  
HETATM   49  H   UNL     1       2.008  -1.680  -0.816  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.159  -1.782  -0.904  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.242  -1.782  -0.173  1.00  0.00           H  
HETATM   52  H   UNL     1       5.217  -1.940  -0.356  1.00  0.00           H  
HETATM   53  H   UNL     1       3.733  -0.699  -1.978  1.00  0.00           H  
CONECT    1   20   28   29   30                                       
CONECT    2   21   31   32   33                                       
CONECT    3   27   34   35                                            
CONECT    4   10   10                                                 
CONECT    5   18   36                                                 
CONECT    6   27   27                                                 
CONECT    7   27   27                                                 
CONECT    8   18   18                                                 
CONECT    9   20   37                                                 
CONECT   10   24    4    4   38                                       
CONECT   11   15   23   39   40                                       
CONECT   12   16   22   41   42                                       
CONECT   13   22   23   43   44                                       
CONECT   14   19   25   45                                            
CONECT   15   22   11   46                                            
CONECT   16   27   12   47                                            
CONECT   17   23   26                                                 
CONECT   18    8    8    5   19                                       
CONECT   19   18   26   26   14                                       
CONECT   20   24    9    1   48                                       
CONECT   21   26   25    2   49                                       
CONECT   22   15   12   13   50                                       
CONECT   23   11   13   17   51                                       
CONECT   24   25   10   20   52                                       
CONECT   25   14   21   24   53                                       
CONECT   26   17   19   19   21                                       
CONECT   27    6    6   16    3                                       
CONECT   27    7    7                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
