COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.491   1.405  -0.015  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.458   0.361  -0.011  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.074   1.013  -0.012  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.997  -0.074  -0.007  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.705   0.535  -0.008  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.631  -0.297  -0.005  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.817  -1.672   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.725  -2.519   0.004  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.445  -1.999   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.347   0.227  -0.011  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.253  -0.624  -0.001  1.00  0.00           C  
HETATM   12  O   UNL     1       1.006  -0.113  -0.001  1.00  0.00           O  
HETATM   13  C   UNL     1       2.086  -1.049   0.004  1.00  0.00           C  
HETATM   14  C   UNL     1       3.396  -0.305   0.003  1.00  0.00           C  
HETATM   15  N   UNL     1       4.530  -0.981   0.007  1.00  0.00           N  
HETATM   16  C   UNL     1       5.703  -0.369   0.006  1.00  0.00           C  
HETATM   17  N   UNL     1       6.873  -1.120   0.010  1.00  0.00           N  
HETATM   18  C   UNL     1       5.777   1.021   0.001  1.00  0.00           C  
HETATM   19  C   UNL     1       4.606   1.756  -0.003  1.00  0.00           C  
HETATM   20  C   UNL     1       3.395   1.075  -0.007  1.00  0.00           C  
HETATM   21  C   UNL     1       4.642   3.263  -0.009  1.00  0.00           C  
HETATM   22  H   UNL     1      -9.415   0.999  -0.015  1.00  0.00           H  
HETATM   23  H   UNL     1      -8.373   2.034   0.764  1.00  0.00           H  
HETATM   24  H   UNL     1      -7.568  -0.256   0.881  1.00  0.00           H  
HETATM   25  H   UNL     1      -7.567  -0.262  -0.899  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.964   1.630  -0.904  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.965   1.636   0.876  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.108  -0.691   0.885  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.106  -0.697  -0.896  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.817  -2.081   0.000  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.872  -3.589   0.008  1.00  0.00           H  
HETATM   32  H   UNL     1       0.407  -2.662   0.007  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.199   1.297  -0.019  1.00  0.00           H  
HETATM   34  H   UNL     1       2.023  -1.673   0.896  1.00  0.00           H  
HETATM   35  H   UNL     1       2.025  -1.679  -0.884  1.00  0.00           H  
HETATM   36  H   UNL     1       6.826  -2.089   0.013  1.00  0.00           H  
HETATM   37  H   UNL     1       7.735  -0.676   0.009  1.00  0.00           H  
HETATM   38  H   UNL     1       6.736   1.518   0.000  1.00  0.00           H  
HETATM   39  H   UNL     1       2.463   1.620  -0.011  1.00  0.00           H  
HETATM   40  H   UNL     1       4.652   3.622  -1.038  1.00  0.00           H  
HETATM   41  H   UNL     1       3.761   3.649   0.502  1.00  0.00           H  
HETATM   42  H   UNL     1       5.540   3.607   0.505  1.00  0.00           H  
CONECT    1    2   22   23                                            
CONECT    2    3    1   24   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    5    3   28   29                                       
CONECT    5    6    4                                                 
CONECT    6    7    7   10    5                                       
CONECT    7    8    6    6   30                                       
CONECT    8    9    9    7   31                                       
CONECT    9    8    8   11   32                                       
CONECT   10   11   11    6   33                                       
CONECT   11    9   12   10   10                                       
CONECT   12   13   11                                                 
CONECT   13   14   12   34   35                                       
CONECT   14   20   20   15   13                                       
CONECT   15   16   16   14                                            
CONECT   16   18   17   15   15                                       
CONECT   17   16   36   37                                            
CONECT   18   19   19   16   38                                       
CONECT   19   21   18   18   20                                       
CONECT   20   19   14   14   39                                       
CONECT   21   19   40   41   42                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
