COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.763   0.356  -0.206  1.00  0.00           N  
HETATM    2  O   UNL     1       7.854  -0.440  -0.632  1.00  0.00           O  
HETATM    3  C   UNL     1       5.501  -0.084  -0.377  1.00  0.00           C  
HETATM    4  O   UNL     1       5.299  -1.160  -0.899  1.00  0.00           O  
HETATM    5  C   UNL     1       4.340   0.760   0.082  1.00  0.00           C  
HETATM    6  C   UNL     1       3.028   0.035  -0.227  1.00  0.00           C  
HETATM    7  C   UNL     1       2.947  -1.248   0.602  1.00  0.00           C  
HETATM    8  C   UNL     1       1.698  -2.035   0.202  1.00  0.00           C  
HETATM    9  C   UNL     1       1.617  -3.319   1.031  1.00  0.00           C  
HETATM   10  C   UNL     1       0.367  -4.106   0.632  1.00  0.00           C  
HETATM   11  C   UNL     1       1.866   0.930   0.118  1.00  0.00           C  
HETATM   12  O   UNL     1       1.583   1.439   1.321  1.00  0.00           O  
HETATM   13  N   UNL     1       0.943   1.364  -0.705  1.00  0.00           N  
HETATM   14  N   UNL     1       0.580   2.118   1.255  1.00  0.00           N  
HETATM   15  C   UNL     1       0.121   2.125   0.040  1.00  0.00           C  
HETATM   16  H   UNL     1       6.924   1.216   0.212  1.00  0.00           H  
HETATM   17  H   UNL     1       8.720  -0.041  -0.467  1.00  0.00           H  
HETATM   18  H   UNL     1       4.417   0.931   1.156  1.00  0.00           H  
HETATM   19  H   UNL     1       4.358   1.717  -0.440  1.00  0.00           H  
HETATM   20  H   UNL     1       2.992  -0.214  -1.288  1.00  0.00           H  
HETATM   21  H   UNL     1       3.834  -1.856   0.418  1.00  0.00           H  
HETATM   22  H   UNL     1       2.894  -0.994   1.660  1.00  0.00           H  
HETATM   23  H   UNL     1       0.812  -1.428   0.386  1.00  0.00           H  
HETATM   24  H   UNL     1       1.751  -2.289  -0.856  1.00  0.00           H  
HETATM   25  H   UNL     1       2.503  -3.926   0.847  1.00  0.00           H  
HETATM   26  H   UNL     1       1.564  -3.065   2.090  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.519  -3.498   0.815  1.00  0.00           H  
HETATM   28  H   UNL     1       0.421  -4.360  -0.427  1.00  0.00           H  
HETATM   29  H   UNL     1       0.310  -5.020   1.222  1.00  0.00           H  
HETATM   30  C   UNL     1      -1.105   2.854  -0.446  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.308   1.955  -0.319  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.050   1.960   0.849  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.153   1.140   0.972  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.519   0.304  -0.085  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.765   0.305  -1.261  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.668   1.133  -1.372  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.698  -0.577   0.039  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.352  -0.575   1.063  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.048  -1.382  -0.982  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.218  -2.220  -0.789  1.00  0.00           C  
HETATM   41  H   UNL     1      -1.256   3.751   0.154  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.970   3.135  -1.491  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.766   2.607   1.665  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.731   1.145   1.883  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.042  -0.340  -2.082  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.084   1.135  -2.281  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.055  -2.881   0.062  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.088  -1.592  -0.600  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.389  -2.817  -1.685  1.00  0.00           H  
CONECT    1    2    3   16                                            
CONECT    2    1   17                                                 
CONECT    3    1    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   18   19                                       
CONECT    6    7   11    5   20                                       
CONECT    7    8    6   21   22                                       
CONECT    8    9    7   23   24                                       
CONECT    9   10    8   25   26                                       
CONECT   10    9   27   28   29                                       
CONECT   11   13   13    6   12                                       
CONECT   12   14   11                                                 
CONECT   13   15   11   11                                            
CONECT   14   15   15   12                                            
CONECT   15   13   14   14   30                                       
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   15   31   41   42                                       
CONECT   31   30   32   36   36                                       
CONECT   32   31   33   33   43                                       
CONECT   33   32   32   34   44                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   45                                       
CONECT   36   35   31   31   46                                       
CONECT   37   34   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40                                                 
CONECT   40   39   47   48   49                                       
CONECT   41   30                                                      
CONECT   42   30                                                      
CONECT   43   32                                                      
CONECT   44   33                                                      
CONECT   45   35                                                      
CONECT   46   36                                                      
CONECT   47   40                                                      
CONECT   48   40                                                      
CONECT   49   40                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
