COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.829  -1.316   1.184  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.129  -5.464  -0.193  1.00  0.00           C  
HETATM    3  C   UNL     1       3.917  -0.595   0.431  1.00  0.00           C  
HETATM    4  C   UNL     1       4.348  -1.065  -0.826  1.00  0.00           C  
HETATM    5  C   UNL     1       5.859   0.678  -0.955  1.00  0.00           C  
HETATM    6  C   UNL     1       4.491   0.516   0.948  1.00  0.00           C  
HETATM    7  C   UNL     1       6.103   2.352   0.794  1.00  0.00           C  
HETATM    8  C   UNL     1       4.324   3.942   0.565  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.968   0.661  -0.082  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.633   0.503   0.326  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.629   1.131  -0.431  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.976   1.846  -1.496  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.240   1.967  -1.840  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.218   1.396  -1.161  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.442   0.816   0.180  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.732   0.032   1.257  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.018  -0.151   1.341  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.107   1.243  -0.246  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.104   0.329   0.248  1.00  0.00           O  
HETATM   20  C   UNL     1       0.135   1.070   0.216  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.241   2.488   0.703  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.749   2.604   0.391  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.990   3.668  -0.532  1.00  0.00           O  
HETATM   24  O   UNL     1       0.497   3.476  -0.019  1.00  0.00           O  
HETATM   25  C   UNL     1       1.158   0.437   1.161  1.00  0.00           C  
HETATM   26  N   UNL     1       1.518  -0.899   0.669  1.00  0.00           N  
HETATM   27  N   UNL     1      -7.999   0.062   0.620  1.00  0.00           N  
HETATM   28  N   UNL     1       5.304  -0.414  -1.477  1.00  0.00           N  
HETATM   29  N   UNL     1       5.473   1.148   0.246  1.00  0.00           N  
HETATM   30  N   UNL     1       3.782  -2.192  -1.375  1.00  0.00           N  
HETATM   31  O   UNL     1       5.605   3.503   0.110  1.00  0.00           O  
HETATM   32  O   UNL     1       6.733   1.262  -1.575  1.00  0.00           O  
HETATM   33  C   UNL     1       0.481  -1.883   1.010  1.00  0.00           C  
HETATM   34  C   UNL     1       0.715  -3.168   0.214  1.00  0.00           C  
HETATM   35  CA  UNL     1      -0.421  -4.154   0.493  1.00  0.00           C  
HETATM   36  N   UNL     1      -1.683  -3.605  -0.019  1.00  0.00           N  
HETATM   37  OXT UNL     1       0.723  -6.339   0.366  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.661  -5.727  -1.245  1.00  0.00           O  
HETATM   39  H   UNL     1       2.946  -2.391   1.053  1.00  0.00           H  
HETATM   40  H   UNL     1       2.897  -1.070   2.244  1.00  0.00           H  
HETATM   41  H   UNL     1       4.175   0.899   1.908  1.00  0.00           H  
HETATM   42  H   UNL     1       5.871   2.432   1.856  1.00  0.00           H  
HETATM   43  H   UNL     1       7.183   2.289   0.662  1.00  0.00           H  
HETATM   44  H   UNL     1       3.595   3.144   0.424  1.00  0.00           H  
HETATM   45  H   UNL     1       4.382   4.197   1.624  1.00  0.00           H  
HETATM   46  H   UNL     1       4.017   4.819  -0.003  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.487   2.556  -2.712  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.002  -0.379   1.939  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.059   1.307  -1.333  1.00  0.00           H  
HETATM   50  H   UNL     1       0.529   1.108  -0.799  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.061   2.585   1.773  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.318   2.758   1.308  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.782   4.546  -0.184  1.00  0.00           H  
HETATM   54  H   UNL     1       0.301   4.385   0.246  1.00  0.00           H  
HETATM   55  H   UNL     1       2.051   1.062   1.201  1.00  0.00           H  
HETATM   56  H   UNL     1       0.729   0.353   2.159  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.804  -0.475   1.404  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.917   0.179   0.329  1.00  0.00           H  
HETATM   59  H   UNL     1       3.084  -2.666  -0.897  1.00  0.00           H  
HETATM   60  H   UNL     1       4.081  -2.513  -2.241  1.00  0.00           H  
HETATM   61  H   UNL     1       0.526  -2.102   2.077  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.500  -1.476   0.765  1.00  0.00           H  
HETATM   63  H   UNL     1       0.742  -2.936  -0.850  1.00  0.00           H  
HETATM   64  H   UNL     1       1.664  -3.613   0.513  1.00  0.00           H  
HETATM   65  HA  UNL     1      -0.505  -4.318   1.567  1.00  0.00           H  
HETATM   66  H1  UNL     1      -1.934  -2.759   0.471  1.00  0.00           H  
HETATM   67  H2  UNL     1      -1.631  -3.444  -1.014  1.00  0.00           H  
HETATM   68  HXT UNL     1       0.878  -7.165  -0.112  1.00  0.00           H  
CONECT    1   26    3   39   40                                       
CONECT    2   38   38   35   37                                       
CONECT    3    4    6    6    1                                       
CONECT    4   28   28   30    3                                       
CONECT    5   32   32   28   29                                       
CONECT    6   29    3    3   41                                       
CONECT    7   31   29   42   43                                       
CONECT    8   31   44   45   46                                       
CONECT    9   27   14   14   10                                       
CONECT   10    9   17   11   11                                       
CONECT   11   10   10   12   15                                       
CONECT   12   13   13   11                                            
CONECT   13   14   12   12   47                                       
CONECT   14    9    9   13                                            
CONECT   15   11   16   18                                            
CONECT   16   17   17   15   48                                       
CONECT   17   10   16   16                                            
CONECT   18   15   22   19   49                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   25   50                                       
CONECT   21   22   24   20   51                                       
CONECT   22   23   18   21   52                                       
CONECT   23   22   53                                                 
CONECT   24   21   54                                                 
CONECT   25   20   26   55   56                                       
CONECT   26   25   33    1                                            
CONECT   27    9   57   58                                            
CONECT   28    5    4    4                                            
CONECT   29    5    7    6                                            
CONECT   30    4   59   60                                            
CONECT   31    8    7                                                 
CONECT   32    5    5                                                 
CONECT   33   26   34   61   62                                       
CONECT   34   33   35   63   64                                       
CONECT   35   34   36    2   65                                       
CONECT   36   35   66   67                                            
CONECT   37    2   68                                                 
CONECT   38    2    2                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
