COMPND    HMDB0244148
HETATM    1 CL1  UNL     1       5.284   1.009  -0.130  1.00  0.00          CL  
HETATM    2  C1  UNL     1       3.655   0.362  -0.043  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.533   1.166  -0.185  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.248   0.652  -0.116  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.107  -0.704   0.101  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.217  -1.528   0.246  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.500  -0.990   0.173  1.00  0.00           C  
HETATM    8 CL2  UNL     1       4.888  -2.069   0.362  1.00  0.00          CL  
HETATM    9  O1  UNL     1      -0.148  -1.306   0.184  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.275  -0.497   0.042  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.165   0.857  -0.175  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.303   1.622  -0.310  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.570   1.077  -0.236  1.00  0.00           C  
HETATM   14  C11 UNL     1      -3.694  -0.278  -0.019  1.00  0.00           C  
HETATM   15 CL3  UNL     1      -5.269  -1.037   0.086  1.00  0.00          CL  
HETATM   16  C12 UNL     1      -2.538  -1.044   0.116  1.00  0.00           C  
HETATM   17 CL4  UNL     1      -2.757  -2.775   0.393  1.00  0.00          CL  
HETATM   18  O2  UNL     1       0.113   1.440  -0.255  1.00  0.00           O  
HETATM   19  H1  UNL     1       2.657   2.209  -0.351  1.00  0.00           H  
HETATM   20  H2  UNL     1       2.134  -2.585   0.415  1.00  0.00           H  
HETATM   21  H3  UNL     1      -2.188   2.700  -0.483  1.00  0.00           H  
HETATM   22  H4  UNL     1      -4.431   1.720  -0.349  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3    7
CONECT    3    4   19
CONECT    4    5    5   18
CONECT    5    6    9
CONECT    6    7    7   20
CONECT    7    8
CONECT    9   10
CONECT   10   11   11   16
CONECT   11   12   18
CONECT   12   13   13   21
CONECT   13   14   22
CONECT   14   15   16   16
CONECT   16   17
END