COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.032   1.581   0.600  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.431   2.861  -0.855  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.220   1.765  -0.014  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.419   3.751  -1.077  1.00  0.00           C  
HETATM    5  C   UNL     1       0.819   3.575  -0.473  1.00  0.00           C  
HETATM    6  C   UNL     1       1.049   2.503   0.359  1.00  0.00           C  
HETATM    7  C   UNL     1       5.760  -1.169   0.031  1.00  0.00           C  
HETATM    8  C   UNL     1       3.445   1.248  -0.986  1.00  0.00           C  
HETATM    9  CA  UNL     1      -1.291  -0.127   1.266  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.728  -1.348   1.941  1.00  0.00           C  
HETATM   11  C   UNL     1       3.184   3.634   0.914  1.00  0.00           C  
HETATM   12  C   UNL     1       2.398   2.325   1.007  1.00  0.00           C  
HETATM   13  C   UNL     1       3.658   0.036   0.946  1.00  0.00           C  
HETATM   14  C   UNL     1       4.328  -0.699  -0.219  1.00  0.00           C  
HETATM   15  C   UNL     1       3.931  -2.165  -0.392  1.00  0.00           C  
HETATM   16  C   UNL     1       5.398  -2.425  -0.782  1.00  0.00           C  
HETATM   17  C   UNL     1       5.967  -3.719  -0.196  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.068   0.651   0.425  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.477   0.407   0.045  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.953  -0.659  -0.687  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.195  -1.409  -1.512  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.312  -1.849  -0.564  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.584   1.219   0.370  1.00  0.00           C  
HETATM   24  N   UNL     1       3.135   1.263   0.319  1.00  0.00           N  
HETATM   25  N   UNL     1       5.670  -4.838  -1.101  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.031   0.437   1.360  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.285  -0.502  -0.808  1.00  0.00           N  
HETATM   28  N   UNL     1      -8.224  -2.759  -1.271  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.653   0.672  -0.142  1.00  0.00           N  
HETATM   30  O   UNL     1       4.127   0.157  -1.368  1.00  0.00           O  
HETATM   31  O   UNL     1       3.137   2.139  -1.752  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.863  -1.758   1.782  1.00  0.00           O  
HETATM   33  OXT UNL     1      -0.873  -2.021   2.739  1.00  0.00           O  
HETATM   34  H   UNL     1      -2.391   3.004  -1.329  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.583   4.597  -1.727  1.00  0.00           H  
HETATM   36  H   UNL     1       1.610   4.287  -0.658  1.00  0.00           H  
HETATM   37  H   UNL     1       6.515  -0.543  -0.444  1.00  0.00           H  
HETATM   38  H   UNL     1       5.976  -1.374   1.080  1.00  0.00           H  
HETATM   39  H   UNL     1       3.318   3.905  -0.133  1.00  0.00           H  
HETATM   40  H   UNL     1       2.636   4.425   1.427  1.00  0.00           H  
HETATM   41  H   UNL     1       4.160   3.506   1.383  1.00  0.00           H  
HETATM   42  H   UNL     1       2.265   2.055   2.055  1.00  0.00           H  
HETATM   43  H   UNL     1       2.845  -0.560   1.360  1.00  0.00           H  
HETATM   44  H   UNL     1       4.388   0.280   1.718  1.00  0.00           H  
HETATM   45  H   UNL     1       3.633  -2.650   0.538  1.00  0.00           H  
HETATM   46  H   UNL     1       3.226  -2.334  -1.205  1.00  0.00           H  
HETATM   47  H   UNL     1       5.589  -2.323  -1.850  1.00  0.00           H  
HETATM   48  H   UNL     1       7.046  -3.622  -0.080  1.00  0.00           H  
HETATM   49  H   UNL     1       5.512  -3.908   0.776  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.365  -1.471  -1.090  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.642  -2.285  -1.854  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.628  -0.895  -2.371  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.879  -2.364   0.294  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.865  -0.974  -0.223  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.552   2.134   0.944  1.00  0.00           H  
HETATM   56  H   UNL     1       6.036  -5.705  -0.736  1.00  0.00           H  
HETATM   57  H   UNL     1       4.679  -4.909  -1.276  1.00  0.00           H  
HETATM   58  H   UNL     1       0.700   0.080   1.890  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.972  -3.063  -0.666  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.589  -2.327  -2.107  1.00  0.00           H  
HETATM   61  HXT UNL     1      -1.252  -2.815   3.140  1.00  0.00           H  
CONECT    1    3    3    6   26                                       
CONECT    2    3    4    4   34                                       
CONECT    3    1    1    2   18                                       
CONECT    4    2    2    5   35                                       
CONECT    5    4    6    6   36                                       
CONECT    6    1    5    5   12                                       
CONECT    7   14   16   37   38                                       
CONECT    8   24   30   31   31                                       
CONECT    9   10   18   18   26                                       
CONECT   10    9   32   32   33                                       
CONECT   11   12   39   40   41                                       
CONECT   12    6   11   24   42                                       
CONECT   13   14   24   43   44                                       
CONECT   14    7   13   15   30                                       
CONECT   15   14   16   45   46                                       
CONECT   16    7   15   17   47                                       
CONECT   17   16   25   48   49                                       
CONECT   18    3    9    9   19                                       
CONECT   19   18   20   20   23                                       
CONECT   20   19   19   27   50                                       
CONECT   21   22   27   51   52                                       
CONECT   22   21   28   53   54                                       
CONECT   23   19   29   29   55                                       
CONECT   24    8   12   13                                            
CONECT   25   17   56   57                                            
CONECT   26    1    9   58                                            
CONECT   27   20   21   29                                            
CONECT   28   22   59   60                                            
CONECT   29   23   23   27                                            
CONECT   30    8   14                                                 
CONECT   31    8    8                                                 
CONECT   32   10   10                                                 
CONECT   33   10   61                                                 
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
