COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.496   0.789   0.260  1.00  0.00           C  
HETATM    2  C   UNL     1       0.919  -0.544  -0.158  1.00  0.00           C  
HETATM    3  CA  UNL     1       1.803  -1.514   0.144  1.00  0.00           C  
HETATM    4  C   UNL     1       2.870   0.447   0.863  1.00  0.00           C  
HETATM    5  C   UNL     1       4.043   0.545  -1.320  1.00  0.00           C  
HETATM    6  C   UNL     1       1.659   1.705  -0.955  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.738  -0.292   0.444  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.661   1.231   0.661  1.00  0.00           C  
HETATM    9  C   UNL     1       1.579  -2.886  -0.116  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.215  -0.573   0.082  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.955   0.657   0.664  1.00  0.00           C  
HETATM   12  C   UNL     1       3.986   1.129   0.068  1.00  0.00           C  
HETATM   13  C   UNL     1       5.325   0.902   0.772  1.00  0.00           C  
HETATM   14  C   UNL     1       6.441   1.583  -0.023  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.259   0.883  -0.057  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.608   0.363  -0.440  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.248  -0.880   1.304  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.012   1.775   0.404  1.00  0.00           N  
HETATM   19  N   UNL     1       2.971  -1.016   0.743  1.00  0.00           N  
HETATM   20  N   UNL     1      -6.340   0.144   0.260  1.00  0.00           N  
HETATM   21  OXT UNL     1       2.467  -3.808   0.313  1.00  0.00           O  
HETATM   22  O   UNL     1       0.586  -3.236  -0.727  1.00  0.00           O  
HETATM   23  O   UNL     1       5.271   1.456   2.088  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.335   1.730  -0.921  1.00  0.00           O  
HETATM   25  O   UNL     1       4.012   1.273  -2.283  1.00  0.00           O  
HETATM   26  S   UNL     1      -0.652  -0.789  -0.916  1.00  0.00           S  
HETATM   27  H   UNL     1       0.859   1.261   1.008  1.00  0.00           H  
HETATM   28  H   UNL     1       2.911   0.749   1.909  1.00  0.00           H  
HETATM   29  H   UNL     1       4.110  -0.525  -1.454  1.00  0.00           H  
HETATM   30  H   UNL     1       0.680   2.067  -1.271  1.00  0.00           H  
HETATM   31  H   UNL     1       2.291   2.553  -0.689  1.00  0.00           H  
HETATM   32  H   UNL     1       2.121   1.149  -1.770  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.464  -0.818   1.358  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.363   1.445   1.687  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.946   1.669  -0.035  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.344  -0.626  -0.999  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.560  -1.492   0.558  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.121   0.535   1.734  1.00  0.00           H  
HETATM   39  H   UNL     1       3.786   2.198   0.004  1.00  0.00           H  
HETATM   40  H   UNL     1       5.526  -0.168   0.836  1.00  0.00           H  
HETATM   41  H   UNL     1       6.241   2.653  -0.087  1.00  0.00           H  
HETATM   42  H   UNL     1       7.395   1.422   0.479  1.00  0.00           H  
HETATM   43  H   UNL     1       6.482   1.161  -1.027  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.653  -0.279  -1.320  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.438   0.125   0.226  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.678   1.406  -0.748  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.495  -0.437   2.269  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.948  -1.686   1.085  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.234  -1.277   1.335  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.095   2.104  -0.546  1.00  0.00           H  
HETATM   51  H   UNL     1       3.725  -1.553   1.034  1.00  0.00           H  
HETATM   52  HXT UNL     1       2.229  -4.718   0.088  1.00  0.00           H  
HETATM   53  H   UNL     1       5.096   2.406   2.108  1.00  0.00           H  
CONECT    1    2    4    6   27                                       
CONECT    2   26    3    3    1                                       
CONECT    3    9   19    2    2                                       
CONECT    4   19   12    1   28                                       
CONECT    5   25   25   12   29                                       
CONECT    6    1   30   31   32                                       
CONECT    7   10   26    8   33                                       
CONECT    8    7   18   34   35                                       
CONECT    9   22   22   21    3                                       
CONECT   10    7   11   36   37                                       
CONECT   11   10   18   15   38                                       
CONECT   12    5    4   13   39                                       
CONECT   13   12   23   14   40                                       
CONECT   14   13   41   42   43                                       
CONECT   15   11   24   24   20                                       
CONECT   16   20   44   45   46                                       
CONECT   17   20   47   48   49                                       
CONECT   18   11    8   50                                            
CONECT   19    3    4   51                                            
CONECT   20   15   16   17                                            
CONECT   21    9   52                                                 
CONECT   22    9    9                                                 
CONECT   23   13   53                                                 
CONECT   24   15   15                                                 
CONECT   25    5    5                                                 
CONECT   26    7    2                                                 
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
