COMPND    HMDB0258931
HETATM    1 CL1  UNL     1      -5.174   1.306   1.030  1.00  0.00          CL  
HETATM    2  C1  UNL     1      -3.707   0.571   0.375  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.185  -0.530   0.998  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.040  -1.117   0.501  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.388  -0.628  -0.621  1.00  0.00           C  
HETATM    6  S1  UNL     1       0.095  -1.407  -1.247  1.00  0.00           S  
HETATM    7  C5  UNL     1       1.498  -0.651  -0.455  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.970  -1.190   0.746  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.055  -0.627   1.384  1.00  0.00           C  
HETATM   10 CL2  UNL     1       3.649  -1.302   2.890  1.00  0.00          CL  
HETATM   11  C8  UNL     1       3.643   0.472   0.793  1.00  0.00           C  
HETATM   12 CL3  UNL     1       5.018   1.182   1.605  1.00  0.00          CL  
HETATM   13  C9  UNL     1       3.174   1.001  -0.393  1.00  0.00           C  
HETATM   14  C10 UNL     1       2.088   0.448  -1.042  1.00  0.00           C  
HETATM   15 CL4  UNL     1       1.483   1.112  -2.552  1.00  0.00          CL  
HETATM   16  C11 UNL     1      -1.945   0.482  -1.221  1.00  0.00           C  
HETATM   17  C12 UNL     1      -3.097   1.096  -0.745  1.00  0.00           C  
HETATM   18  H1  UNL     1      -3.694  -0.910   1.873  1.00  0.00           H  
HETATM   19  H2  UNL     1      -1.615  -1.992   0.987  1.00  0.00           H  
HETATM   20  H3  UNL     1       1.489  -2.052   1.185  1.00  0.00           H  
HETATM   21  H4  UNL     1       3.650   1.866  -0.841  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.472   0.907  -2.108  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.494   1.965  -1.251  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   16
CONECT    6    7
CONECT    7    8    8   14
CONECT    8    9   20
CONECT    9   10   11   11
CONECT   11   12   13
CONECT   13   14   14   21
CONECT   14   15
CONECT   16   17   17   22
CONECT   17   23
END