COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.184   0.037   9.761  1.00  0.00           C  
HETATM    2  C   UNL     1       2.636   0.620   7.567  1.00  0.00           C  
HETATM    3  C   UNL     1       1.402  -0.065   7.177  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.118  -0.759   5.619  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.880  -1.359   6.621  1.00  0.00           C  
HETATM    6  C   UNL     1       0.631  -0.673   8.200  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.579  -0.832   4.186  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.982   0.467   2.619  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.795   1.561   2.337  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.339   1.712   1.082  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.074   0.764   0.089  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.257  -0.333   0.375  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.712  -0.475   1.631  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.655   0.922  -1.256  1.00  0.00           C  
HETATM   15  CA  UNL     1      -3.977   0.164  -3.550  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.315  -0.525  -3.603  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.040  -0.459  -4.586  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.681   0.241  -4.532  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.744  -0.383  -5.569  1.00  0.00           C  
HETATM   20  N   UNL     1       1.068  -0.596   9.463  1.00  0.00           N  
HETATM   21  N   UNL     1       2.577   0.085  11.085  1.00  0.00           N  
HETATM   22  N   UNL     1       2.955   0.629   8.854  1.00  0.00           N  
HETATM   23  N   UNL     1       3.437   1.234   6.630  1.00  0.00           N  
HETATM   24  N   UNL     1       0.999  -0.128   5.913  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.498  -1.307   7.879  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.434   0.318   3.888  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.399   0.007  -2.213  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.366   1.877  -1.504  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.180  -0.109  -4.337  1.00  0.00           O  
HETATM   30  OXT UNL     1      -5.547  -1.600  -2.834  1.00  0.00           O  
HETATM   31  N   UNL     1       0.556   0.287  -5.517  1.00  0.00           N  
HETATM   32  C   UNL     1       1.546  -0.097  -6.347  1.00  0.00           C  
HETATM   33  O   UNL     1       1.359  -1.001  -7.138  1.00  0.00           O  
HETATM   34  C   UNL     1       2.861   0.579  -6.295  1.00  0.00           C  
HETATM   35  C   UNL     1       4.036  -0.170  -6.103  1.00  0.00           C  
HETATM   36  C   UNL     1       5.267   0.479  -6.061  1.00  0.00           C  
HETATM   37  C   UNL     1       5.328   1.853  -6.197  1.00  0.00           C  
HETATM   38  C   UNL     1       4.172   2.591  -6.380  1.00  0.00           C  
HETATM   39  C   UNL     1       2.942   1.962  -6.429  1.00  0.00           C  
HETATM   40  C   UNL     1       3.966  -1.639  -5.958  1.00  0.00           C  
HETATM   41  O   UNL     1       2.886  -2.191  -5.881  1.00  0.00           O  
HETATM   42  O   UNL     1       5.098  -2.367  -5.910  1.00  0.00           O  
HETATM   43  H   UNL     1      -1.794  -1.871   6.361  1.00  0.00           H  
HETATM   44  H   UNL     1       0.287  -0.822   3.525  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.142  -1.753   4.032  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.000   2.293   3.105  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.970   2.561   0.864  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.051  -1.067  -0.389  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.081  -1.323   1.852  1.00  0.00           H  
HETATM   50  HA  UNL     1      -4.105   1.224  -3.768  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.911  -1.519  -4.368  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.470  -0.342  -5.581  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.809   1.301  -4.751  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.251   0.124  -3.538  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.616  -1.443  -5.351  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.174  -0.266  -6.564  1.00  0.00           H  
HETATM   57  H   UNL     1       3.396   0.541  11.331  1.00  0.00           H  
HETATM   58  H   UNL     1       2.031  -0.335  11.768  1.00  0.00           H  
HETATM   59  H   UNL     1       4.250   1.683   6.907  1.00  0.00           H  
HETATM   60  H   UNL     1       3.187   1.217   5.692  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.619   0.976   4.576  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.832  -0.754  -2.015  1.00  0.00           H  
HETATM   63  HXT UNL     1      -6.406  -2.043  -2.868  1.00  0.00           H  
HETATM   64  H   UNL     1       0.706   1.009  -4.886  1.00  0.00           H  
HETATM   65  H   UNL     1       6.174  -0.089  -5.919  1.00  0.00           H  
HETATM   66  H   UNL     1       6.284   2.354  -6.160  1.00  0.00           H  
HETATM   67  H   UNL     1       4.231   3.664  -6.485  1.00  0.00           H  
HETATM   68  H   UNL     1       2.043   2.544  -6.573  1.00  0.00           H  
HETATM   69  H   UNL     1       5.052  -3.328  -5.816  1.00  0.00           H  
CONECT    1   20   20   21   22                                       
CONECT    2    3   22   22   23                                       
CONECT    3    2    6    6   24                                       
CONECT    4    5    7   24   24                                       
CONECT    5    4   25   25   43                                       
CONECT    6    3    3   20   25                                       
CONECT    7    4   26   44   45                                       
CONECT    8    9    9   13   26                                       
CONECT    9    8    8   10   46                                       
CONECT   10    9   11   11   47                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   48                                       
CONECT   13    8   12   12   49                                       
CONECT   14   11   27   28   28                                       
CONECT   15   16   17   27   50                                       
CONECT   16   15   29   29   30                                       
CONECT   17   15   18   51   52                                       
CONECT   18   17   19   53   54                                       
CONECT   19   18   31   55   56                                       
CONECT   20    1    1    6                                            
CONECT   21    1   57   58                                            
CONECT   22    1    2    2                                            
CONECT   23    2   59   60                                            
CONECT   24    3    4    4                                            
CONECT   25    5    5    6                                            
CONECT   26    7    8   61                                            
CONECT   27   14   15   62                                            
CONECT   28   14   14                                                 
CONECT   29   16   16                                                 
CONECT   30   16   63                                                 
CONECT   31   19   32   64                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   35   39                                       
CONECT   35   34   34   36   40                                       
CONECT   36   35   37   37   65                                       
CONECT   37   36   36   38   66                                       
CONECT   38   37   39   39   67                                       
CONECT   39   34   38   38   68                                       
CONECT   40   35   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   69                                                 
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   42                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
