COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.772  -0.879  -0.027  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.388  -1.038  -0.058  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.573   0.074  -0.004  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.132   1.367   0.080  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.516   1.532   0.111  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.343   0.416   0.052  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.679  -2.032  -0.082  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.695   0.540   0.079  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.478  -0.507   0.024  1.00  0.00           C  
HETATM   10  N   UNL     1      -8.836  -0.309   0.055  1.00  0.00           N  
HETATM   11  N   UNL     1      -7.008  -1.787  -0.048  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.196   0.251  -0.015  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.096   2.245   0.117  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.961   1.593   0.061  1.00  0.00           C  
HETATM   15  N   UNL     1       0.286   2.176   0.077  1.00  0.00           N  
HETATM   16  C   UNL     1       1.487   1.340   0.010  1.00  0.00           C  
HETATM   17  C   UNL     1       2.731   2.231   0.044  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.249  -3.169  -0.157  1.00  0.00           O  
HETATM   19  C   UNL     1       6.237  -0.210  -0.152  1.00  0.00           C  
HETATM   20  C   UNL     1       7.448  -1.054  -0.220  1.00  0.00           C  
HETATM   21  O   UNL     1       8.017  -1.507   0.914  1.00  0.00           O  
HETATM   22  C   UNL     1       9.204  -2.331   0.771  1.00  0.00           C  
HETATM   23  C   UNL     1       5.644   0.262  -1.325  1.00  0.00           C  
HETATM   24  C   UNL     1       4.514   1.049  -1.254  1.00  0.00           C  
HETATM   25  C   UNL     1       3.967   1.371  -0.025  1.00  0.00           C  
HETATM   26  C   UNL     1       4.549   0.907   1.141  1.00  0.00           C  
HETATM   27  C   UNL     1       5.677   0.115   1.085  1.00  0.00           C  
HETATM   28  O   UNL     1       7.930  -1.339  -1.298  1.00  0.00           O  
HETATM   29  H   UNL     1      -2.955  -2.026  -0.123  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.944   2.521   0.176  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.194   0.591   0.117  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.438  -1.069   0.015  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.635  -2.527  -0.083  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.526  -0.449  -0.066  1.00  0.00           H  
HETATM   35  H   UNL     1       0.369   3.141   0.133  1.00  0.00           H  
HETATM   36  H   UNL     1       1.504   0.660   0.861  1.00  0.00           H  
HETATM   37  H   UNL     1       1.478   0.765  -0.916  1.00  0.00           H  
HETATM   38  H   UNL     1       2.714   2.912  -0.807  1.00  0.00           H  
HETATM   39  H   UNL     1       2.740   2.806   0.970  1.00  0.00           H  
HETATM   40  H   UNL     1       8.962  -3.220   0.190  1.00  0.00           H  
HETATM   41  H   UNL     1       9.981  -1.763   0.260  1.00  0.00           H  
HETATM   42  H   UNL     1       9.561  -2.628   1.758  1.00  0.00           H  
HETATM   43  H   UNL     1       6.070   0.011  -2.285  1.00  0.00           H  
HETATM   44  H   UNL     1       4.054   1.414  -2.161  1.00  0.00           H  
HETATM   45  H   UNL     1       4.117   1.163   2.098  1.00  0.00           H  
HETATM   46  H   UNL     1       6.130  -0.247   1.996  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    3    1    1   29                                       
CONECT    3   12    4    4    2                                       
CONECT    4   13    3    3    5                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    1    8                                       
CONECT    7    1   18   18   11                                       
CONECT    8    6    9    9                                            
CONECT    9    8    8   11   10                                       
CONECT   10    9   31   32                                            
CONECT   11    7    9   33                                            
CONECT   12   14    3   34                                            
CONECT   13   14   14    4                                            
CONECT   14   15   13   13   12                                       
CONECT   15   16   14   35                                            
CONECT   16   17   15   36   37                                       
CONECT   17   25   16   38   39                                       
CONECT   18    7    7                                                 
CONECT   19   27   20   23   23                                       
CONECT   20   28   28   19   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   40   41   42                                       
CONECT   23   19   19   24   43                                       
CONECT   24   25   25   23   44                                       
CONECT   25   26   17   24   24                                       
CONECT   26   27   27   25   45                                       
CONECT   27   26   26   19   46                                       
CONECT   28   20   20                                                 
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
