COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.440  -2.621  -0.162  1.00  0.00           C  
HETATM    2  C   UNL     1       2.148  -1.854  -0.388  1.00  0.00           C  
HETATM    3  C   UNL     1       3.613  -0.119  -0.729  1.00  0.00           C  
HETATM    4  C   UNL     1       3.937   2.946   1.299  1.00  0.00           C  
HETATM    5  C   UNL     1       4.551   2.072  -1.205  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.724  -1.373   1.157  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.344  -1.037  -0.287  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.602  -0.664  -1.072  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.174   0.618  -0.525  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.054   1.775   1.263  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.212   2.919   0.494  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.833   2.891  -0.844  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.306   1.716  -1.355  1.00  0.00           C  
HETATM   14  CA  UNL     1      -2.680  -2.253  -0.936  1.00  0.00           C  
HETATM   15  CA  UNL     1       0.910  -2.292   0.396  1.00  0.00           C  
HETATM   16  C   UNL     1       3.433  -2.298   0.346  1.00  0.00           C  
HETATM   17  C   UNL     1       4.419  -1.130   0.116  1.00  0.00           C  
HETATM   18  C   UNL     1       3.627   1.685   0.929  1.00  0.00           C  
HETATM   19  C   UNL     1       4.577   3.799   0.368  1.00  0.00           C  
HETATM   20  C   UNL     1       0.891  -1.599   1.734  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.548   0.677   0.739  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.296  -1.934  -0.356  1.00  0.00           N  
HETATM   23  N   UNL     1       3.939   1.253  -0.331  1.00  0.00           N  
HETATM   24  N   UNL     1       4.862   3.337  -0.866  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.616  -3.385  -0.927  1.00  0.00           N  
HETATM   26  O   UNL     1      -6.734   4.049   1.039  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.269  -0.486  -2.450  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.472  -3.530   0.639  1.00  0.00           O  
HETATM   29  O   UNL     1       2.228  -0.413  -0.438  1.00  0.00           O  
HETATM   30  O   UNL     1       4.865   4.941   0.679  1.00  0.00           O  
HETATM   31  O   UNL     1       4.827   1.665  -2.317  1.00  0.00           O  
HETATM   32  O   UNL     1       5.570  -1.578  -0.603  1.00  0.00           O  
HETATM   33  O   UNL     1       3.943  -3.506  -0.223  1.00  0.00           O  
HETATM   34  OXT UNL     1       1.902  -1.780   2.598  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.035  -0.880   2.029  1.00  0.00           O  
HETATM   36  H   UNL     1       2.125  -2.268  -1.396  1.00  0.00           H  
HETATM   37  H   UNL     1       3.815  -0.265  -1.790  1.00  0.00           H  
HETATM   38  H   UNL     1       3.696   3.300   2.291  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.518  -2.119   1.159  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.853  -1.768   1.679  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.072  -0.471   1.660  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.649  -0.197  -0.293  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.340  -1.461  -0.977  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.349   1.785   2.302  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.944   3.765  -1.469  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.001   1.658  -2.389  1.00  0.00           H  
HETATM   47  HA  UNL     1      -2.408  -2.013  -1.964  1.00  0.00           H  
HETATM   48  HA  UNL     1       0.937  -3.371   0.546  1.00  0.00           H  
HETATM   49  H   UNL     1       3.239  -2.430   1.410  1.00  0.00           H  
HETATM   50  H   UNL     1       4.711  -0.685   1.067  1.00  0.00           H  
HETATM   51  H   UNL     1       3.136   1.020   1.625  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.271  -1.204  -0.994  1.00  0.00           H  
HETATM   53  H   UNL     1       5.304   3.915  -1.508  1.00  0.00           H  
HETATM   54  H1  UNL     1      -3.224  -4.181  -1.407  1.00  0.00           H  
HETATM   55  H2  UNL     1      -3.882  -3.626   0.016  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.074   4.642   1.424  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.616   0.209  -2.611  1.00  0.00           H  
HETATM   58  H   UNL     1       6.113  -2.215  -0.119  1.00  0.00           H  
HETATM   59  H   UNL     1       4.750  -3.830   0.200  1.00  0.00           H  
HETATM   60  HXT UNL     1       1.845  -1.314   3.444  1.00  0.00           H  
CONECT    1   22   28   28   14                                       
CONECT    2   16   29   15   36                                       
CONECT    3   23   17   29   37                                       
CONECT    4   19   18   18   38                                       
CONECT    5   31   31   24   23                                       
CONECT    6    7   39   40   41                                       
CONECT    7   14    6    8   42                                       
CONECT    8    7   27    9   43                                       
CONECT    9    8   13   13   21                                       
CONECT   10   21   21   11   44                                       
CONECT   11   12   12   10   26                                       
CONECT   12   13   11   11   45                                       
CONECT   13    9    9   12   46                                       
CONECT   14    1   25    7   47                                       
CONECT   15    2   20   22   48                                       
CONECT   16   33   17    2   49                                       
CONECT   17   32    3   16   50                                       
CONECT   18   23    4    4   51                                       
CONECT   19   24   30   30    4                                       
CONECT   20   15   35   35   34                                       
CONECT   21    9   10   10                                            
CONECT   22   15    1   52                                            
CONECT   23    5    3   18                                            
CONECT   24    5   19   53                                            
CONECT   25   14   54   55                                            
CONECT   26   11   56                                                 
CONECT   27    8   57                                                 
CONECT   28    1    1                                                 
CONECT   29    3    2                                                 
CONECT   30   19   19                                                 
CONECT   31    5    5                                                 
CONECT   32   17   58                                                 
CONECT   33   16   59                                                 
CONECT   34   20   60                                                 
CONECT   35   20   20                                                 
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
