COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.604  -0.545   1.704  1.00  0.00           C  
HETATM    2  C   UNL     1       2.734  -0.769   0.495  1.00  0.00           C  
HETATM    3  C   UNL     1       2.375   0.258  -0.299  1.00  0.00           C  
HETATM    4  C   UNL     1       1.479   0.015  -1.486  1.00  0.00           C  
HETATM    5  O   UNL     1       1.684  -1.294  -2.015  1.00  0.00           O  
HETATM    6  C   UNL     1       1.721  -2.329  -1.136  1.00  0.00           C  
HETATM    7  C   UNL     1       2.257  -2.118   0.144  1.00  0.00           C  
HETATM    8  C   UNL     1       2.332  -3.172   1.051  1.00  0.00           C  
HETATM    9  C   UNL     1       1.858  -4.422   0.686  1.00  0.00           C  
HETATM   10  C   UNL     1       1.312  -4.621  -0.575  1.00  0.00           C  
HETATM   11  C   UNL     1       1.246  -3.579  -1.484  1.00  0.00           C  
HETATM   12  O   UNL     1       1.928  -5.457   1.565  1.00  0.00           O  
HETATM   13  C   UNL     1       0.041   0.158  -1.059  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.637   1.339  -1.296  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.956   1.470  -0.904  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.598   0.420  -0.275  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.920  -0.762  -0.038  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.603  -0.895  -0.435  1.00  0.00           C  
HETATM   19  I   UNL     1      -4.597   0.618   0.320  1.00  0.00           I  
HETATM   20  C   UNL     1       2.858   1.620  -0.007  1.00  0.00           C  
HETATM   21  C   UNL     1       1.954   2.622   0.359  1.00  0.00           C  
HETATM   22  C   UNL     1       2.410   3.894   0.631  1.00  0.00           C  
HETATM   23  C   UNL     1       3.760   4.184   0.543  1.00  0.00           C  
HETATM   24  C   UNL     1       4.665   3.196   0.180  1.00  0.00           C  
HETATM   25  C   UNL     1       4.220   1.913  -0.090  1.00  0.00           C  
HETATM   26  O   UNL     1       5.990   3.487   0.096  1.00  0.00           O  
HETATM   27  H   UNL     1       3.782  -1.497   2.205  1.00  0.00           H  
HETATM   28  H   UNL     1       4.556  -0.115   1.393  1.00  0.00           H  
HETATM   29  H   UNL     1       3.104   0.139   2.390  1.00  0.00           H  
HETATM   30  H   UNL     1       1.698   0.752  -2.258  1.00  0.00           H  
HETATM   31  H   UNL     1       2.756  -3.016   2.032  1.00  0.00           H  
HETATM   32  H   UNL     1       0.940  -5.596  -0.850  1.00  0.00           H  
HETATM   33  H   UNL     1       0.823  -3.743  -2.464  1.00  0.00           H  
HETATM   34  H   UNL     1       1.150  -5.545   2.132  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.135   2.160  -1.787  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.485   2.394  -1.089  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.421  -1.583   0.453  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.073  -1.818  -0.250  1.00  0.00           H  
HETATM   39  H   UNL     1       0.899   2.399   0.428  1.00  0.00           H  
HETATM   40  H   UNL     1       1.711   4.668   0.914  1.00  0.00           H  
HETATM   41  H   UNL     1       4.111   5.182   0.757  1.00  0.00           H  
HETATM   42  H   UNL     1       4.924   1.143  -0.368  1.00  0.00           H  
HETATM   43  H   UNL     1       6.476   3.353   0.921  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    3    7    1                                       
CONECT    3    4   20    2    2                                       
CONECT    4   13    5    3   30                                       
CONECT    5    4    6                                                 
CONECT    6    5   11   11    7                                       
CONECT    7    6    2    8    8                                       
CONECT    8    7    7    9   31                                       
CONECT    9   10   10    8   12                                       
CONECT   10   11    9    9   32                                       
CONECT   11    6    6   10   33                                       
CONECT   12    9   34                                                 
CONECT   13   14   14   18    4                                       
CONECT   14   15   13   13   35                                       
CONECT   15   16   16   14   36                                       
CONECT   16   19   15   15   17                                       
CONECT   17   16   18   18   37                                       
CONECT   18   17   17   13   38                                       
CONECT   19   16                                                      
CONECT   20   21    3   25   25                                       
CONECT   21   22   22   20   39                                       
CONECT   22   21   21   23   40                                       
CONECT   23   22   24   24   41                                       
CONECT   24   23   23   25   26                                       
CONECT   25   20   20   24   42                                       
CONECT   26   24   43                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
