COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.305  -0.398  -2.705  1.00  0.00           O  
HETATM    2  C   UNL     1       3.069  -0.128  -1.802  1.00  0.00           C  
HETATM    3  C   UNL     1       3.802   1.188  -1.803  1.00  0.00           C  
HETATM    4  C   UNL     1       3.407   1.991  -3.043  1.00  0.00           C  
HETATM    5  N   UNL     1       4.121   3.275  -3.044  1.00  0.00           N  
HETATM    6  C   UNL     1       2.566  -2.287  -0.747  1.00  0.00           C  
HETATM    7  N   UNL     1       3.257  -1.004  -0.795  1.00  0.00           N  
HETATM    8  C   UNL     1       4.128  -0.737   0.269  1.00  0.00           C  
HETATM    9  C   UNL     1       5.426  -1.231   0.242  1.00  0.00           C  
HETATM   10  C   UNL     1       6.266  -0.997   1.316  1.00  0.00           C  
HETATM   11  C   UNL     1       5.821  -0.279   2.412  1.00  0.00           C  
HETATM   12  C   UNL     1       4.536   0.230   2.439  1.00  0.00           C  
HETATM   13  C   UNL     1       3.697   0.014   1.349  1.00  0.00           C  
HETATM   14  C   UNL     1       2.349   0.637   1.304  1.00  0.00           C  
HETATM   15  N   UNL     1       2.195   1.926   1.699  1.00  0.00           N  
HETATM   16  N   UNL     1       0.979   2.290   1.549  1.00  0.00           N  
HETATM   17  C   UNL     1       1.134  -2.152  -0.296  1.00  0.00           C  
HETATM   18  C   UNL     1       0.335  -3.224  -0.704  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.996  -3.310  -0.367  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.559  -2.307   0.404  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.789  -1.247   0.798  1.00  0.00           C  
HETATM   22  C   UNL     1       0.583  -1.134   0.438  1.00  0.00           C  
HETATM   23  C   UNL     1       1.148   0.140   0.916  1.00  0.00           C  
HETATM   24  N   UNL     1       0.258   1.212   1.041  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.105   1.203   0.716  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.043   1.658   1.634  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.385   1.648   1.310  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.521   0.744  -0.527  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.865   0.742  -0.847  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.797   1.185   0.074  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.262   1.181  -0.278  1.00  0.00           C  
HETATM   32  CA  UNL     1      -5.879  -0.159   0.125  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.284  -1.235  -0.679  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.367  -0.119  -0.114  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.834  -0.628  -1.105  1.00  0.00           O  
HETATM   36  H   UNL     1       3.539   1.751  -0.907  1.00  0.00           H  
HETATM   37  H   UNL     1       4.876   1.006  -1.815  1.00  0.00           H  
HETATM   38  H   UNL     1       3.669   1.429  -3.939  1.00  0.00           H  
HETATM   39  H   UNL     1       2.332   2.174  -3.031  1.00  0.00           H  
HETATM   40  H   UNL     1       5.119   3.133  -2.990  1.00  0.00           H  
HETATM   41  H   UNL     1       3.877   3.824  -3.854  1.00  0.00           H  
HETATM   42  H   UNL     1       2.582  -2.734  -1.741  1.00  0.00           H  
HETATM   43  H   UNL     1       3.092  -2.945  -0.056  1.00  0.00           H  
HETATM   44  H   UNL     1       5.776  -1.794  -0.610  1.00  0.00           H  
HETATM   45  H   UNL     1       7.276  -1.377   1.298  1.00  0.00           H  
HETATM   46  H   UNL     1       6.482  -0.116   3.252  1.00  0.00           H  
HETATM   47  H   UNL     1       4.188   0.789   3.295  1.00  0.00           H  
HETATM   48  H   UNL     1       0.775  -4.009  -1.301  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.593  -4.146  -0.699  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.599  -2.361   0.691  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.238  -0.472   1.401  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.722   2.019   2.600  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.115   2.002   2.024  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.794   0.390  -1.243  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.189   0.381  -1.812  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.766   1.988   0.254  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.378   1.326  -1.352  1.00  0.00           H  
HETATM   58  HA  UNL     1      -5.686  -0.346   1.181  1.00  0.00           H  
HETATM   59  H1  UNL     1      -5.628  -2.137  -0.388  1.00  0.00           H  
HETATM   60  H2  UNL     1      -5.450  -1.085  -1.663  1.00  0.00           H  
HETATM   61  OXT UNL     1      -8.173   0.481   0.776  1.00  0.00           O  
HETATM   62  HXT UNL     1      -9.120   0.482   0.580  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    7    1    1    3                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3    5   38   39                                       
CONECT    5    4   40   41                                            
CONECT    6   17    7   42   43                                       
CONECT    7    6    8    2                                            
CONECT    8   13    9    9    7                                       
CONECT    9   10    8    8   44                                       
CONECT   10   11   11    9   45                                       
CONECT   11   10   10   12   46                                       
CONECT   12   11   13   13   47                                       
CONECT   13   12   12    8   14                                       
CONECT   14   23   23   13   15                                       
CONECT   15   14   16   16                                            
CONECT   16   24   15   15                                            
CONECT   17   18   18   22    6                                       
CONECT   18   19   17   17   48                                       
CONECT   19   20   20   18   49                                       
CONECT   20   19   19   21   50                                       
CONECT   21   20   22   22   51                                       
CONECT   22   21   21   17   23                                       
CONECT   23   22   14   14   24                                       
CONECT   24   23   25   16                                            
CONECT   25   28   28   26   24                                       
CONECT   26   27   27   25   52                                       
CONECT   27   30   26   26   53                                       
CONECT   28   29   25   25   54                                       
CONECT   29   30   30   28   55                                       
CONECT   30   31   29   29   27                                       
CONECT   31   32   30   56   57                                       
CONECT   32   33   34   31   58                                       
CONECT   33   32   59   60                                            
CONECT   34   32   35   35   61                                       
CONECT   35   34   34                                                 
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   34   62                                                 
CONECT   62   61                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
