COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.266  19.172  -3.772  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.101  20.334  -3.446  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.580  21.307  -4.189  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.390  22.567  -3.838  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.823  23.467  -4.513  1.00  0.00           O  
HETATM    6  N   UNL     1       0.260  22.907  -2.756  1.00  0.00           N  
HETATM    7  C   UNL     1       0.607  20.676  -2.266  1.00  0.00           C  
HETATM    8  C   UNL     1       0.790  22.000  -1.937  1.00  0.00           C  
HETATM    9  N   UNL     1       1.085  19.731  -1.493  1.00  0.00           N  
HETATM   10  C   UNL     1       1.756  19.998  -0.396  1.00  0.00           C  
HETATM   11  C   UNL     1       2.222  18.946   0.355  1.00  0.00           C  
HETATM   12  C   UNL     1       2.940  19.155   1.512  1.00  0.00           C  
HETATM   13  C   UNL     1       3.461  18.019   2.332  1.00  0.00           C  
HETATM   14  C   UNL     1       3.158  20.423   1.910  1.00  0.00           C  
HETATM   15  C   UNL     1       3.907  20.642   3.170  1.00  0.00           C  
HETATM   16  C   UNL     1       2.685  21.488   1.181  1.00  0.00           C  
HETATM   17  C   UNL     1       1.976  21.295   0.007  1.00  0.00           C  
HETATM   18  N   UNL     1       1.512  22.360  -0.785  1.00  0.00           N  
HETATM   19  C   UNL     1       1.669  23.767  -0.384  1.00  0.00           C  
HETATM   20  C   UNL     1       2.867  24.587  -0.854  1.00  0.00           C  
HETATM   21  C   UNL     1       3.166  25.808   0.041  1.00  0.00           C  
HETATM   22  C   UNL     1       4.644  26.064   0.393  1.00  0.00           C  
HETATM   23  N   UNL     1       4.733  27.507   0.524  1.00  0.00           N  
HETATM   24  C   UNL     1       4.773  28.210   1.633  1.00  0.00           C  
HETATM   25  O   UNL     1       4.823  29.658   1.655  1.00  0.00           O  
HETATM   26  O   UNL     1       4.793  27.703   2.713  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.090  21.093  -5.022  1.00  0.00           H  
HETATM   28  H   UNL     1       2.021  17.935   0.032  1.00  0.00           H  
HETATM   29  H   UNL     1       3.589  17.133   1.693  1.00  0.00           H  
HETATM   30  H   UNL     1       4.431  18.298   2.770  1.00  0.00           H  
HETATM   31  H   UNL     1       2.747  17.790   3.137  1.00  0.00           H  
HETATM   32  H   UNL     1       4.984  20.696   2.952  1.00  0.00           H  
HETATM   33  H   UNL     1       3.579  21.584   3.632  1.00  0.00           H  
HETATM   34  H   UNL     1       3.714  19.808   3.861  1.00  0.00           H  
HETATM   35  H   UNL     1       2.869  22.493   1.530  1.00  0.00           H  
HETATM   36  H   UNL     1       0.780  24.289  -0.767  1.00  0.00           H  
HETATM   37  H   UNL     1       1.821  23.702   0.703  1.00  0.00           H  
HETATM   38  H   UNL     1       3.752  23.934  -0.850  1.00  0.00           H  
HETATM   39  H   UNL     1       2.627  24.969  -1.857  1.00  0.00           H  
HETATM   40  H   UNL     1       2.802  26.698  -0.493  1.00  0.00           H  
HETATM   41  H   UNL     1       2.669  25.597   0.999  1.00  0.00           H  
HETATM   42  H   UNL     1       4.924  25.560   1.330  1.00  0.00           H  
HETATM   43  H   UNL     1       5.331  25.669  -0.370  1.00  0.00           H  
HETATM   44  H   UNL     1       4.768  28.027  -0.330  1.00  0.00           H  
HETATM   45  H   UNL     1       4.864  29.960   2.555  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   27                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    8    8                                            
CONECT    7    2    8    9    9                                       
CONECT    8    6    6    7   18                                       
CONECT    9    7    7   10                                            
CONECT   10    9   11   17   17                                       
CONECT   11   10   12   12   28                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   29   30   31                                       
CONECT   14   12   15   16   16                                       
CONECT   15   14   32   33   34                                       
CONECT   16   14   14   17   35                                       
CONECT   17   10   10   16   18                                       
CONECT   18    8   17   19                                            
CONECT   19   18   20   36   37                                       
CONECT   20   19   21   38   39                                       
CONECT   21   20   22   40   41                                       
CONECT   22   21   23   42   43                                       
CONECT   23   22   24   44                                            
CONECT   24   23   25   26   26                                       
CONECT   25   24   45                                                 
CONECT   26   24   24                                                 
CONECT   27    3                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
