COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.269  -0.424   1.227  1.00  0.00           C  
HETATM    2  C   UNL     1       0.932   0.227   0.367  1.00  0.00           C  
HETATM    3  C   UNL     1       4.158  -1.021  -0.152  1.00  0.00           C  
HETATM    4  C   UNL     1       2.896  -0.492  -0.837  1.00  0.00           C  
HETATM    5  CA  UNL     1       1.651   1.306   0.004  1.00  0.00           C  
HETATM    6  O   UNL     1       4.432  -1.141   2.185  1.00  0.00           O  
HETATM    7  C   UNL     1       5.387  -0.632  -0.976  1.00  0.00           C  
HETATM    8  O   UNL     1       5.282  -1.198  -2.284  1.00  0.00           O  
HETATM    9  C   UNL     1       6.649  -1.161  -0.292  1.00  0.00           C  
HETATM   10  N   UNL     1       2.816   0.969  -0.704  1.00  0.00           N  
HETATM   11  C   UNL     1       1.273   2.636   0.304  1.00  0.00           C  
HETATM   12  OXT UNL     1       2.101   3.658  -0.002  1.00  0.00           O  
HETATM   13  O   UNL     1       0.202   2.859   0.838  1.00  0.00           O  
HETATM   14  S   UNL     1      -0.586   0.259   1.260  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.689  -0.484   0.033  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.136  -0.580   0.582  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.969  -0.564  -0.724  1.00  0.00           C  
HETATM   18  C   UNL     1       1.638  -1.017  -0.122  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.254   0.374  -1.616  1.00  0.00           N  
HETATM   20  C   UNL     1       2.022  -1.913   1.058  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.843   0.440  -1.193  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.365  -0.067  -0.451  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.286  -0.900   0.073  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.660   1.082  -0.702  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.930  -2.288   0.377  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.643  -0.417   0.339  1.00  0.00           C  
HETATM   27  H   UNL     1       4.208   0.647   1.359  1.00  0.00           H  
HETATM   28  H   UNL     1       4.102  -2.106  -0.074  1.00  0.00           H  
HETATM   29  H   UNL     1       2.885  -0.781  -1.887  1.00  0.00           H  
HETATM   30  H   UNL     1       5.443   0.454  -1.054  1.00  0.00           H  
HETATM   31  H   UNL     1       5.227  -2.164  -2.292  1.00  0.00           H  
HETATM   32  H   UNL     1       6.592  -2.246  -0.214  1.00  0.00           H  
HETATM   33  H   UNL     1       7.524  -0.883  -0.879  1.00  0.00           H  
HETATM   34  H   UNL     1       6.729  -0.729   0.706  1.00  0.00           H  
HETATM   35  H   UNL     1       3.464   1.601  -1.052  1.00  0.00           H  
HETATM   36  HXT UNL     1       1.757   4.528   0.240  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.322  -1.466  -0.268  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.286  -1.511   1.129  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.375   0.281   1.207  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.999  -1.560  -1.166  1.00  0.00           H  
HETATM   41  H   UNL     1       1.006  -1.561  -0.824  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.330   0.085  -2.579  1.00  0.00           H  
HETATM   43  H   UNL     1       1.134  -2.424   1.430  1.00  0.00           H  
HETATM   44  H   UNL     1       2.755  -2.650   0.731  1.00  0.00           H  
HETATM   45  H   UNL     1       2.450  -1.302   1.853  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.585   1.463  -0.921  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.197   0.095  -2.001  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.557  -2.352   1.399  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.812  -2.921   0.272  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.157  -2.625  -0.314  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.265  -0.577  -0.541  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.064  -0.961   1.185  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.611   0.647   0.572  1.00  0.00           H  
CONECT    1    6    6    3   27                                       
CONECT    2    5    5   18   14                                       
CONECT    3    1    4    7   28                                       
CONECT    4    3   10   18   29                                       
CONECT    5    2    2   11   10                                       
CONECT    6    1    1                                                 
CONECT    7    3    8    9   30                                       
CONECT    8    7   31                                                 
CONECT    9    7   32   33   34                                       
CONECT   10    4    5   35                                            
CONECT   11    5   13   13   12                                       
CONECT   12   11   36                                                 
CONECT   13   11   11                                                 
CONECT   14    2   15                                                 
CONECT   15   14   16   21   37                                       
CONECT   16   15   17   38   39                                       
CONECT   17   16   22   19   40                                       
CONECT   18    2    4   20   41                                       
CONECT   19   17   21   42                                            
CONECT   20   18   43   44   45                                       
CONECT   21   15   19   46   47                                       
CONECT   22   17   23   24   24                                       
CONECT   23   22   25   26                                            
CONECT   24   22   22                                                 
CONECT   25   23   48   49   50                                       
CONECT   26   23   51   52   53                                       
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
