COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.828  -0.082  -0.059  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.376  -1.379   0.103  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.679  -1.253   0.232  1.00  0.00           N  
HETATM    4  N   UNL     1      -3.000   0.108   0.158  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.860   0.807  -0.020  1.00  0.00           C  
HETATM    6  C   UNL     1       0.608   0.249  -0.234  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.616  -2.652   0.123  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.013  -3.712   0.945  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.277  -4.879   0.933  1.00  0.00           C  
HETATM   10  N   UNL     1       0.786  -5.002   0.161  1.00  0.00           N  
HETATM   11  C   UNL     1       1.194  -4.026  -0.628  1.00  0.00           C  
HETATM   12  C   UNL     1       0.513  -2.828  -0.682  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.347   0.676   0.257  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.923   0.876  -1.148  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.304   1.526  -1.041  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.186   2.818  -0.353  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.680   2.646   1.015  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.280   2.030   0.969  1.00  0.00           C  
HETATM   19  C   UNL     1       1.232   0.011  -1.456  1.00  0.00           C  
HETATM   20  C   UNL     1       2.573   0.316  -1.630  1.00  0.00           C  
HETATM   21  C   UNL     1       3.303   0.860  -0.589  1.00  0.00           C  
HETATM   22  C   UNL     1       2.680   1.107   0.658  1.00  0.00           C  
HETATM   23  C   UNL     1       1.328   0.803   0.826  1.00  0.00           C  
HETATM   24  C   UNL     1       4.718   1.287  -0.459  1.00  0.00           C  
HETATM   25  C   UNL     1       4.895   1.776   0.864  1.00  0.00           C  
HETATM   26  C   UNL     1       3.688   1.678   1.551  1.00  0.00           C  
HETATM   27  N   UNL     1       5.883   1.403  -1.059  1.00  0.00           N  
HETATM   28  N   UNL     1       6.765   1.904  -0.272  1.00  0.00           N  
HETATM   29  C   UNL     1       6.258   2.163   0.917  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.780   1.880  -0.110  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.881  -3.618   1.580  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.575  -5.703   1.564  1.00  0.00           H  
HETATM   33  H   UNL     1       2.069  -4.170  -1.244  1.00  0.00           H  
HETATM   34  H   UNL     1       0.852  -2.033  -1.331  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.988  -0.002   0.820  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.260   1.522  -1.724  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.012  -0.090  -1.645  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.710   1.682  -2.040  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.970   0.873  -0.476  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.605   3.454  -0.876  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.634   3.617   1.510  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.349   1.988   1.570  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.911   1.888   1.985  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.608   2.694   0.426  1.00  0.00           H  
HETATM   45  H   UNL     1       0.667  -0.414  -2.273  1.00  0.00           H  
HETATM   46  H   UNL     1       3.049   0.127  -2.581  1.00  0.00           H  
HETATM   47  H   UNL     1       0.843   0.991   1.773  1.00  0.00           H  
HETATM   48  H   UNL     1       3.523   1.975   2.576  1.00  0.00           H  
HETATM   49  H   UNL     1       6.778   2.586   1.763  1.00  0.00           H  
CONECT    1    2    5    5    6                                       
CONECT    2    1    7    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    3   13    5                                            
CONECT    5    1    1    4   30                                       
CONECT    6    1   23   23   19                                       
CONECT    7    2   12   12    8                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11                                            
CONECT   11   10   10   12   33                                       
CONECT   12    7    7   11   34                                       
CONECT   13    4   14   18   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   17   40                                            
CONECT   17   16   18   41   42                                       
CONECT   18   13   17   43   44                                       
CONECT   19    6   20   20   45                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   24   24                                       
CONECT   22   21   26   26   23                                       
CONECT   23    6    6   22   47                                       
CONECT   24   21   21   25   27                                       
CONECT   25   24   26   29   29                                       
CONECT   26   22   22   25   48                                       
CONECT   27   24   28   28                                            
CONECT   28   27   27   29                                            
CONECT   29   25   25   28   49                                       
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
