COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.308   1.814  -0.457  1.00  0.00           C  
HETATM    2  C   UNL     1       0.613  -0.462   0.788  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.024  -0.175  -0.573  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.608  -0.645  -0.333  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.679   1.397   0.148  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.869   0.755   0.141  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.869  -1.269  -0.329  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.619   2.879   0.418  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.132   1.535   0.405  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.984  -2.748  -0.592  1.00  0.00           C  
HETATM   11  C   UNL     1       4.203  -0.030   0.531  1.00  0.00           C  
HETATM   12  N   UNL     1       2.961   0.423   0.727  1.00  0.00           N  
HETATM   13  C   UNL     1       2.109  -0.566   0.630  1.00  0.00           C  
HETATM   14  N   UNL     1       2.797  -1.689   0.366  1.00  0.00           N  
HETATM   15  N   UNL     1       4.151  -1.321   0.306  1.00  0.00           N  
HETATM   16  N   UNL     1       5.364   0.745   0.557  1.00  0.00           N  
HETATM   17  C   UNL     1       6.560  -0.085   0.299  1.00  0.00           C  
HETATM   18  C   UNL     1       7.527   0.844  -0.476  1.00  0.00           C  
HETATM   19  C   UNL     1       6.543   1.652  -1.367  1.00  0.00           C  
HETATM   20  C   UNL     1       2.243  -3.032   0.177  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.520  -0.071  -0.415  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.179   1.037  -0.156  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.370  -1.080  -0.525  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.535   0.700  -0.090  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.945  -0.554  -0.095  1.00  0.00           N  
HETATM   26  H   UNL     1       4.397   1.718  -1.047  1.00  0.00           H  
HETATM   27  H   UNL     1       5.332   2.789   0.031  1.00  0.00           H  
HETATM   28  H   UNL     1       0.376   0.347   1.479  1.00  0.00           H  
HETATM   29  H   UNL     1       0.224  -1.401   1.181  1.00  0.00           H  
HETATM   30  H   UNL     1       0.365   0.765  -0.966  1.00  0.00           H  
HETATM   31  H   UNL     1       0.213  -0.984  -1.264  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.982   3.079   1.426  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.589   3.223   0.327  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.243   3.405  -0.305  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.481   1.986  -0.524  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.898   0.864   0.794  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.930   2.318   1.135  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.917  -3.291   0.350  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.943  -2.959  -1.066  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.176  -3.064  -1.252  1.00  0.00           H  
HETATM   41  H   UNL     1       7.011  -0.403   1.240  1.00  0.00           H  
HETATM   42  H   UNL     1       6.298  -0.951  -0.308  1.00  0.00           H  
HETATM   43  H   UNL     1       8.065   1.504   0.205  1.00  0.00           H  
HETATM   44  H   UNL     1       8.221   0.265  -1.085  1.00  0.00           H  
HETATM   45  H   UNL     1       6.287   1.090  -2.265  1.00  0.00           H  
HETATM   46  H   UNL     1       6.966   2.622  -1.626  1.00  0.00           H  
HETATM   47  H   UNL     1       2.013  -3.185  -0.877  1.00  0.00           H  
HETATM   48  H   UNL     1       2.973  -3.774   0.501  1.00  0.00           H  
HETATM   49  H   UNL     1       1.333  -3.136   0.767  1.00  0.00           H  
CONECT    1   16   19   26   27                                       
CONECT    2   13    3   28   29                                       
CONECT    3    2   21   30   31                                       
CONECT    4   23   23   24    7                                       
CONECT    5   24    6    6    8                                       
CONECT    6    5    5   25    9                                       
CONECT    7    4   25   25   10                                       
CONECT    8    5   32   33   34                                       
CONECT    9    6   35   36   37                                       
CONECT   10    7   38   39   40                                       
CONECT   11   12   15   15   16                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14    2                                       
CONECT   14   13   15   20                                            
CONECT   15   11   11   14                                            
CONECT   16   11   17    1                                            
CONECT   17   16   18   41   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   18    1   45   46                                       
CONECT   20   14   47   48   49                                       
CONECT   21    3   22   22   23                                       
CONECT   22   21   21   24                                            
CONECT   23   21    4    4                                            
CONECT   24   22    4    5                                            
CONECT   25    6    7    7                                            
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
