COMPND    HMDB0245442
HETATM    1 CL1  UNL     1       5.276   0.642  -0.304  1.00  0.00          CL  
HETATM    2  C1  UNL     1       3.540   0.439  -0.185  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.805   0.191  -1.318  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.414   0.026  -1.243  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.761   0.108  -0.034  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.674  -0.062   0.032  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.299  -1.110  -0.646  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.661  -1.313  -0.616  1.00  0.00           C  
HETATM    9 CL2  UNL     1      -3.408  -2.648  -1.487  1.00  0.00          CL  
HETATM   10  C8  UNL     1      -3.469  -0.460   0.107  1.00  0.00           C  
HETATM   11 CL3  UNL     1      -5.221  -0.689   0.168  1.00  0.00          CL  
HETATM   12  C9  UNL     1      -2.862   0.578   0.780  1.00  0.00           C  
HETATM   13 CL4  UNL     1      -3.860   1.667   1.700  1.00  0.00          CL  
HETATM   14  C10 UNL     1      -1.497   0.780   0.749  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.500   0.356   1.097  1.00  0.00           C  
HETATM   16 CL5  UNL     1       0.775   0.479   2.685  1.00  0.00          CL  
HETATM   17  C12 UNL     1       2.864   0.518   1.017  1.00  0.00           C  
HETATM   18  H1  UNL     1       3.303   0.122  -2.285  1.00  0.00           H  
HETATM   19  H2  UNL     1       0.922  -0.165  -2.179  1.00  0.00           H  
HETATM   20  H3  UNL     1      -0.655  -1.777  -1.214  1.00  0.00           H  
HETATM   21  H4  UNL     1      -1.021   1.604   1.283  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.467   0.714   1.894  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   17
CONECT    3    4   18
CONECT    4    5    5   19
CONECT    5    6   15
CONECT    6    7    7   14
CONECT    7    8   20
CONECT    8    9   10   10
CONECT   10   11   12
CONECT   12   13   14   14
CONECT   14   21
CONECT   15   16   17   17
CONECT   17   22
END