COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.502  -0.894   0.769  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.314   0.240   0.831  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.093   0.498   1.911  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.848   1.553   1.968  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.923   2.474   0.971  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.193   2.327  -0.159  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.251   3.144  -1.059  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.327   1.142  -0.256  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.536   0.898  -1.376  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.743  -0.229  -1.414  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.727  -1.117  -0.347  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.851  -2.342  -0.412  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.202  -3.187  -1.656  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.896  -3.708  -2.135  1.00  0.00           N  
HETATM   15  C   UNL     1       0.041  -2.569  -1.952  1.00  0.00           C  
HETATM   16  C   UNL     1       0.471  -2.484   0.516  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.375  -1.936  -0.604  1.00  0.00           C  
HETATM   18  O   UNL     1       0.130  -3.491   1.097  1.00  0.00           O  
HETATM   19  C   UNL     1       1.713  -1.796   0.904  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501  -2.301   1.942  1.00  0.00           C  
HETATM   21  C   UNL     1       3.664  -1.651   2.300  1.00  0.00           C  
HETATM   22  C   UNL     1       4.051  -0.501   1.635  1.00  0.00           C  
HETATM   23  C   UNL     1       3.276   0.006   0.606  1.00  0.00           C  
HETATM   24  C   UNL     1       2.114  -0.636   0.232  1.00  0.00           C  
HETATM   25  I   UNL     1       3.873   1.749  -0.391  1.00  0.00           I  
HETATM   26  H   UNL     1       4.273  -2.040   3.102  1.00  0.00           H  
HETATM   27  H   UNL     1       4.962   0.004   1.921  1.00  0.00           H  
HETATM   28  H   UNL     1       2.201  -3.198   2.463  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.129  -0.422  -2.281  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.544   1.586  -2.208  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.447   1.707   2.853  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.506   3.243   1.071  1.00  0.00           H  
HETATM   33  H   UNL     1       1.510  -0.240  -0.571  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.479  -1.591   1.594  1.00  0.00           H  
HETATM   35  H   UNL     1       1.069  -2.928  -1.901  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.072  -1.849  -2.761  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.283  -0.851  -0.651  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.949  -3.980  -3.105  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.862  -4.010  -1.383  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.666  -2.564  -2.420  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.965  -2.937   0.494  1.00  0.00           H  
CONECT    1   11    2    2   34                                       
CONECT    2    1    1    8    3                                       
CONECT    3    4    4    2                                            
CONECT    4    3    3    5   31                                       
CONECT    5    4    6   32                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    9    6    2                                       
CONECT    9   10    8    8   30                                       
CONECT   10    9   11   11   29                                       
CONECT   11   10   10    1   12                                       
CONECT   12   13   11   17   41                                       
CONECT   13   12   14   39   40                                       
CONECT   14   15   13   38                                            
CONECT   15   17   14   35   36                                       
CONECT   16   19   17   18   18                                       
CONECT   17   15   16   12   37                                       
CONECT   18   16   16                                                 
CONECT   19   20   20   24   16                                       
CONECT   20   21   19   19   28                                       
CONECT   21   22   22   20   26                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   19   33                                       
CONECT   25   23                                                      
CONECT   26   21                                                      
CONECT   27   22                                                      
CONECT   28   20                                                      
CONECT   29   10                                                      
CONECT   30    9                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33   24                                                      
CONECT   34    1                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   14                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   12                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
