COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.063  -1.410  -0.393  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.382  -1.221   0.808  1.00  0.00           C  
HETATM    3  O   UNL     1       0.206  -1.653   0.120  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.149  -1.313   2.274  1.00  0.00           C  
HETATM    5  C   UNL     1       2.309  -2.584  -0.702  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.912  -0.566   1.496  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.022  -2.131   0.712  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.112  -3.614   0.289  1.00  0.00           C  
HETATM    9  C   UNL     1       0.353  -4.015   0.008  1.00  0.00           C  
HETATM   10  C   UNL     1       1.156  -2.726   0.294  1.00  0.00           C  
HETATM   11  O   UNL     1       7.805   2.961   2.813  1.00  0.00           O  
HETATM   12  P   UNL     1       8.040   2.665   1.248  1.00  0.00           P  
HETATM   13  O   UNL     1       8.314   4.050   0.475  1.00  0.00           O  
HETATM   14  O   UNL     1       9.206   1.769   1.085  1.00  0.00           O  
HETATM   15  O   UNL     1       6.730   1.958   0.634  1.00  0.00           O  
HETATM   16  P   UNL     1       6.451   1.068  -0.679  1.00  0.00           P  
HETATM   17  O   UNL     1       6.437   2.018  -1.979  1.00  0.00           O  
HETATM   18  O   UNL     1       7.517   0.052  -0.821  1.00  0.00           O  
HETATM   19  O   UNL     1       5.025   0.333  -0.536  1.00  0.00           O  
HETATM   20  P   UNL     1       4.353  -0.949  -1.239  1.00  0.00           P  
HETATM   21  O   UNL     1       5.333  -2.057  -1.287  1.00  0.00           O  
HETATM   22  O   UNL     1       3.903  -0.566  -2.737  1.00  0.00           O  
HETATM   23  O   UNL     1       0.763  -5.065   0.886  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.653  -4.405   1.349  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.166  -1.380   0.191  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.914  -1.636   1.952  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.219  -0.709  -0.994  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.387  -0.154  -1.140  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.156  -0.431  -0.059  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.467  -0.109   0.330  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.273   0.672  -0.479  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.635   1.005  -0.053  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.306   1.873  -1.120  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.706   2.216  -0.681  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.759   1.385  -1.017  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.043   1.699  -0.615  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.275   2.844   0.124  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.223   3.675   0.461  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.938   3.358   0.062  1.00  0.00           C  
HETATM   40  H   UNL     1      -5.551  -1.662   3.213  1.00  0.00           H  
HETATM   41  H   UNL     1       1.908  -2.503  -1.712  1.00  0.00           H  
HETATM   42  H   UNL     1       2.955  -3.459  -0.636  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.976  -2.049   1.798  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.716  -3.718  -0.613  1.00  0.00           H  
HETATM   45  H   UNL     1       0.474  -4.317  -1.033  1.00  0.00           H  
HETATM   46  H   UNL     1       1.535  -2.735   1.316  1.00  0.00           H  
HETATM   47  H   UNL     1       8.555   3.387   3.249  1.00  0.00           H  
HETATM   48  H   UNL     1       7.590   4.687   0.539  1.00  0.00           H  
HETATM   49  H   UNL     1       5.761   2.709  -1.954  1.00  0.00           H  
HETATM   50  H   UNL     1       3.260   0.155  -2.782  1.00  0.00           H  
HETATM   51  H   UNL     1       0.250  -5.880   0.790  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.732  -5.346   1.137  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.411  -0.648  -1.708  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.937   1.000  -1.328  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.208   0.088   0.083  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.597   1.553   0.889  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.733   2.790  -1.255  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.344   1.326  -2.062  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.577   0.490  -1.595  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.865   1.051  -0.879  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.279   3.090   0.438  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.404   4.569   1.038  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.115   4.004   0.329  1.00  0.00           H  
CONECT    1    5   20                                                 
CONECT    2   26   26   29   25                                       
CONECT    3    7   10                                                 
CONECT    4    6    6   26   40                                       
CONECT    5    1   10   41   42                                       
CONECT    6    4    4   30                                            
CONECT    7    3    8   25   43                                       
CONECT    8    7   24    9   44                                       
CONECT    9    8   23   10   45                                       
CONECT   10    3    5    9   46                                       
CONECT   11   12   47                                                 
CONECT   12   11   14   14   13                                       
CONECT   12   15                                                      
CONECT   13   12   48                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16                                                 
CONECT   16   15   19   18   18                                       
CONECT   16   17                                                      
CONECT   17   16   49                                                 
CONECT   18   16   16                                                 
CONECT   19   16   20                                                 
CONECT   20    1   19   21   21                                       
CONECT   20   22                                                      
CONECT   21   20   20                                                 
CONECT   22   20   50                                                 
CONECT   23    9   51                                                 
CONECT   24    8   52                                                 
CONECT   25    2    7   27                                            
CONECT   26    2    2    4                                            
CONECT   27   25   28   28   53                                       
CONECT   28   27   27   29                                            
CONECT   29    2   28   30   30                                       
CONECT   30    6   29   29   31                                       
CONECT   31   30   32   54                                            
CONECT   32   31   33   55   56                                       
CONECT   33   32   34   57   58                                       
CONECT   34   33   39   39   35                                       
CONECT   35   34   36   36   59                                       
CONECT   36   35   35   37   60                                       
CONECT   37   36   38   38   61                                       
CONECT   38   37   37   39   62                                       
CONECT   39   34   34   38   63                                       
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   17                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   37                                                      
CONECT   62   38                                                      
CONECT   63   39                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
