COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.830  -0.654   0.013  1.00  0.00           C  
HETATM    2  C   UNL     1       4.430  -0.723  -1.256  1.00  0.00           C  
HETATM    3  C   UNL     1       5.727  -1.254  -1.349  1.00  0.00           C  
HETATM    4  C   UNL     1       5.720  -1.579   0.937  1.00  0.00           C  
HETATM    5  C   UNL     1       2.458   0.142  -1.520  1.00  0.00           C  
HETATM    6  C   UNL     1       1.588   0.172   0.849  1.00  0.00           C  
HETATM    7  C   UNL     1       1.849   1.551   1.505  1.00  0.00           C  
HETATM    8  N   UNL     1       3.540  -0.221  -2.146  1.00  0.00           N  
HETATM    9  N   UNL     1       2.588  -0.105  -0.185  1.00  0.00           N  
HETATM   10  N   UNL     1       6.324  -1.664  -0.234  1.00  0.00           N  
HETATM   11  C   UNL     1       0.444   1.931   2.033  1.00  0.00           C  
HETATM   12  N   UNL     1       4.507  -1.086   1.071  1.00  0.00           N  
HETATM   13  N   UNL     1       6.369  -1.347  -2.571  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.520   1.066   1.197  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.505   1.964   0.447  1.00  0.00           C  
HETATM   16  O   UNL     1       0.278   0.322   0.261  1.00  0.00           O  
HETATM   17  O   UNL     1       0.328   1.609   3.421  1.00  0.00           O  
HETATM   18  O   UNL     1       2.784   1.436   2.580  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.421   1.132  -0.345  1.00  0.00           N1+
HETATM   20  C   UNL     1      -3.274   1.995  -1.174  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.412   2.718  -2.211  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.278   3.481  -3.120  1.00  0.00           N1+
HETATM   23  C   UNL     1      -3.262   0.335   0.558  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.128  -0.622  -0.263  1.00  0.00           C  
HETATM   25  CA  UNL     1      -5.004  -1.452   0.677  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.944  -2.306  -0.135  1.00  0.00           C  
HETATM   27  OXT UNL     1      -7.062  -1.771  -0.649  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.690  -3.473  -0.322  1.00  0.00           O  
HETATM   29  N   UNL     1      -4.152  -2.315   1.506  1.00  0.00           N1+
HETATM   30  H   UNL     1       6.243  -1.921   1.817  1.00  0.00           H  
HETATM   31  H   UNL     1       1.587   0.576  -1.988  1.00  0.00           H  
HETATM   32  H   UNL     1       1.584  -0.617   1.601  1.00  0.00           H  
HETATM   33  H   UNL     1       2.196   2.274   0.767  1.00  0.00           H  
HETATM   34  H   UNL     1       0.248   2.990   1.869  1.00  0.00           H  
HETATM   35  H   UNL     1       5.922  -1.044  -3.378  1.00  0.00           H  
HETATM   36  H   UNL     1       7.265  -1.715  -2.622  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.064   0.382   1.848  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.077   2.554   1.163  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.956   2.632  -0.217  1.00  0.00           H  
HETATM   40  H   UNL     1       0.952   2.082   3.988  1.00  0.00           H  
HETATM   41  H   UNL     1       2.980   2.273   3.023  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.887   0.516  -0.939  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.020   1.385  -1.683  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.774   2.728  -0.541  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.729   3.399  -1.703  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.840   1.987  -2.781  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.910   2.851  -3.589  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.807   4.158  -2.592  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.709   3.958  -3.804  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.628  -0.239   1.234  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.904   0.999   1.138  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.763  -0.048  -0.939  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.487  -1.286  -0.843  1.00  0.00           H  
HETATM   54  HA  UNL     1      -5.581  -0.786   1.319  1.00  0.00           H  
HETATM   55  HXT UNL     1      -7.634  -2.358  -1.163  1.00  0.00           H  
HETATM   56  H1  UNL     1      -3.522  -1.743   2.050  1.00  0.00           H  
HETATM   57  H2  UNL     1      -4.729  -2.862   2.126  1.00  0.00           H  
HETATM   58  H3  UNL     1      -3.618  -2.931   0.912  1.00  0.00           H  
CONECT    1    2    9   12   12                                       
CONECT    2    3    3    8    1                                       
CONECT    3   13    2    2   10                                       
CONECT    4   10   10   12   30                                       
CONECT    5    8    8    9   31                                       
CONECT    6    9    7   16   32                                       
CONECT    7    6   18   11   33                                       
CONECT    8    2    5    5                                            
CONECT    9    5    1    6                                            
CONECT   10    3    4    4                                            
CONECT   11    7   14   17   34                                       
CONECT   12    4    1    1                                            
CONECT   13    3   35   36                                            
CONECT   14   16   15   11   37                                       
CONECT   15   14   19   38   39                                       
CONECT   16    6   14                                                 
CONECT   17   11   40                                                 
CONECT   18    7   41                                                 
CONECT   19   15   20   23   42                                       
CONECT   20   21   19   43   44                                       
CONECT   21   22   20   45   46                                       
CONECT   22   21   47   48   49                                       
CONECT   23   19   24   50   51                                       
CONECT   24   23   25   52   53                                       
CONECT   25   24   29   26   54                                       
CONECT   26   25   28   28   27                                       
CONECT   27   26   55                                                 
CONECT   28   26   26                                                 
CONECT   29   25   56   57   58                                       
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
