COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.300  -3.019  -0.452  1.00  0.00           N  
HETATM    2  CA  UNL     1      -5.038  -1.753  -0.543  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.048  -0.587  -0.586  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.286  -0.517   0.739  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.335   0.602   0.699  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.039   1.889   0.632  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.062   2.983   0.195  1.00  0.00           C  
HETATM    8 CL   UNL     1      -2.920   4.568   0.140  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -1.423   0.560   1.850  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.376  -0.534   1.631  1.00  0.00           C  
HETATM   11  O   UNL     1       0.408  -0.234   0.464  1.00  0.00           O  
HETATM   12  C   UNL     1       1.747  -0.709   0.722  1.00  0.00           C  
HETATM   13  C   UNL     1       1.984  -0.333   2.207  1.00  0.00           C  
HETATM   14  O   UNL     1       2.967  -1.186   2.798  1.00  0.00           O  
HETATM   15  C   UNL     1       0.587  -0.585   2.833  1.00  0.00           C  
HETATM   16  O   UNL     1       0.544  -1.869   3.459  1.00  0.00           O  
HETATM   17  N   UNL     1       2.712  -0.029  -0.146  1.00  0.00           N  
HETATM   18  C   UNL     1       2.547   1.188  -0.737  1.00  0.00           C  
HETATM   19  N   UNL     1       3.601   1.488  -1.439  1.00  0.00           N  
HETATM   20  C   UNL     1       4.507   0.485  -1.343  1.00  0.00           C  
HETATM   21  C   UNL     1       5.790   0.258  -1.870  1.00  0.00           C  
HETATM   22  N   UNL     1       6.392   1.193  -2.694  1.00  0.00           N  
HETATM   23  N   UNL     1       6.411  -0.875  -1.559  1.00  0.00           N  
HETATM   24  C   UNL     1       5.844  -1.772  -0.773  1.00  0.00           C  
HETATM   25  N   UNL     1       4.644  -1.602  -0.258  1.00  0.00           N  
HETATM   26  C   UNL     1       3.949  -0.498  -0.509  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.873  -1.747  -1.798  1.00  0.00           C  
HETATM   28  OXT UNL     1      -6.916  -0.909  -1.906  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.605  -2.498  -2.705  1.00  0.00           O  
HETATM   30  H1  UNL     1      -4.932  -3.800  -0.357  1.00  0.00           H  
HETATM   31  H2  UNL     1      -3.691  -3.141  -1.247  1.00  0.00           H  
HETATM   32  HA  UNL     1      -5.687  -1.646   0.326  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.342  -0.739  -1.403  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.590   0.345  -0.743  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.991  -0.365   1.556  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.743  -1.449   0.896  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.853   1.821  -0.090  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.443   2.134   1.614  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.239   3.040   0.907  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.671   2.747  -0.794  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.925   1.524   1.954  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.990   0.344   2.755  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.868  -1.499   1.509  1.00  0.00           H  
HETATM   44  H   UNL     1       1.804  -1.789   0.585  1.00  0.00           H  
HETATM   45  H   UNL     1       2.272   0.714   2.302  1.00  0.00           H  
HETATM   46  H   UNL     1       3.151  -0.990   3.727  1.00  0.00           H  
HETATM   47  H   UNL     1       0.344   0.199   3.550  1.00  0.00           H  
HETATM   48  H   UNL     1       1.174  -1.974   4.184  1.00  0.00           H  
HETATM   49  H   UNL     1       1.671   1.812  -0.637  1.00  0.00           H  
HETATM   50  H   UNL     1       5.929   2.016  -2.914  1.00  0.00           H  
HETATM   51  H   UNL     1       7.278   1.025  -3.051  1.00  0.00           H  
HETATM   52  H   UNL     1       6.384  -2.679  -0.546  1.00  0.00           H  
HETATM   53  HXT UNL     1      -7.422  -0.942  -2.729  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    3    1   27   32                                       
CONECT    3    4    2   33   34                                       
CONECT    4    5    3   35   36                                       
CONECT    5    9    6    4                                            
CONECT    6    7    5   37   38                                       
CONECT    7    8    6   39   40                                       
CONECT    8    7                                                      
CONECT    9   10    5   41   42                                       
CONECT   10   11    9   15   43                                       
CONECT   11   12   10                                                 
CONECT   12   17   13   11   44                                       
CONECT   13   14   12   15   45                                       
CONECT   14   13   46                                                 
CONECT   15   13   10   16   47                                       
CONECT   16   15   48                                                 
CONECT   17   18   26   12                                            
CONECT   18   19   19   17   49                                       
CONECT   19   20   18   18                                            
CONECT   20   21   21   19   26                                       
CONECT   21   22   20   20   23                                       
CONECT   22   21   50   51                                            
CONECT   23   21   24   24                                            
CONECT   24   23   23   25   52                                       
CONECT   25   26   26   24                                            
CONECT   26   20   17   25   25                                       
CONECT   27    2   29   29   28                                       
CONECT   28   27   53                                                 
CONECT   29   27   27                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
