COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.138   2.521  -0.945  1.00  0.00           C  
HETATM    2  N   UNL     1       5.877   1.452   1.108  1.00  0.00           N  
HETATM    3  O   UNL     1       5.147   3.562  -0.332  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.186   1.262   0.484  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.942  -0.032   0.376  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.723  -0.514   0.262  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.671   0.299   0.252  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.878   1.684   0.364  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.198   2.150   0.484  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.464   3.504   0.598  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.659   2.274   0.328  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.740   1.361   0.203  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.314   0.126   0.152  1.00  0.00           N  
HETATM   14  CA  UNL     1       5.275   1.213  -0.210  1.00  0.00           C  
HETATM   15  C   UNL     1       3.894   0.580  -0.033  1.00  0.00           C  
HETATM   16  N   UNL     1       3.421  -2.443   2.966  1.00  0.00           N  
HETATM   17  O   UNL     1      -0.626  -3.834  -1.436  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.608  -2.229  -1.952  1.00  0.00           O  
HETATM   19  C   UNL     1       2.809  -2.703   1.656  1.00  0.00           C  
HETATM   20  C   UNL     1       4.044  -0.804   0.601  1.00  0.00           C  
HETATM   21  C   UNL     1       1.925  -1.640  -0.425  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.248  -1.034   0.478  1.00  0.00           O  
HETATM   23  C   UNL     1       2.659  -1.385   0.893  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.218  -2.464  -1.448  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.453  -1.532  -1.479  1.00  0.00           C  
HETATM   26  C   UNL     1       0.496  -2.102  -0.132  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.610  -1.152   0.015  1.00  0.00           C  
HETATM   28  OXT UNL     1       5.000   2.530  -2.280  1.00  0.00           O  
HETATM   29  H1  UNL     1       5.305   2.074   1.660  1.00  0.00           H  
HETATM   30  H2  UNL     1       6.039   0.584   1.595  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.775  -0.720   0.381  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.734   4.143   0.596  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.379   3.813   0.680  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.678   1.554   0.148  1.00  0.00           H  
HETATM   35  HA  UNL     1       5.912   0.539  -0.783  1.00  0.00           H  
HETATM   36  H   UNL     1       3.285   1.212   0.614  1.00  0.00           H  
HETATM   37  H   UNL     1       3.411   0.484  -1.005  1.00  0.00           H  
HETATM   38  H   UNL     1       2.886  -1.765   3.487  1.00  0.00           H  
HETATM   39  H   UNL     1       3.531  -3.298   3.490  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.131  -4.101  -2.216  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.521  -2.566  -2.854  1.00  0.00           H  
HETATM   42  H   UNL     1       3.443  -3.382   1.087  1.00  0.00           H  
HETATM   43  H   UNL     1       1.827  -3.154   1.797  1.00  0.00           H  
HETATM   44  H   UNL     1       4.576  -1.462  -0.086  1.00  0.00           H  
HETATM   45  H   UNL     1       4.606  -0.719   1.531  1.00  0.00           H  
HETATM   46  H   UNL     1       1.896  -0.720  -1.009  1.00  0.00           H  
HETATM   47  H   UNL     1       2.448  -2.412  -0.989  1.00  0.00           H  
HETATM   48  H   UNL     1       2.089  -0.679   1.496  1.00  0.00           H  
HETATM   49  H   UNL     1       0.430  -2.268  -2.303  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.259  -0.648  -2.087  1.00  0.00           H  
HETATM   51  H   UNL     1       0.515  -2.967   0.532  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.135  -1.937   0.561  1.00  0.00           H  
HETATM   53  HXT UNL     1       4.915   3.394  -2.707  1.00  0.00           H  
CONECT    1    3    3   14   28                                       
CONECT    2   14   29   30                                            
CONECT    3    1    1                                                 
CONECT    4    9    9    5                                            
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    7                                            
CONECT    7    6   13    8    8                                       
CONECT    8    7    7   11    9                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   32   33                                            
CONECT   11    8   12   12                                            
CONECT   12   11   11   13   34                                       
CONECT   13    7   12   27                                            
CONECT   14    1    2   15   35                                       
CONECT   15   14   20   36   37                                       
CONECT   16   19   38   39                                            
CONECT   17   24   40                                                 
CONECT   18   25   41                                                 
CONECT   19   16   23   42   43                                       
CONECT   20   15   23   44   45                                       
CONECT   21   23   26   46   47                                       
CONECT   22   26   27                                                 
CONECT   23   19   20   21   48                                       
CONECT   24   17   26   25   49                                       
CONECT   25   18   24   27   50                                       
CONECT   26   21   22   24   51                                       
CONECT   27   13   22   25   52                                       
CONECT   28    1   53                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
