COMPND    HMDB0246010
HETATM    1 CL1  UNL     1      -5.305   0.190   0.325  1.00  0.00          CL  
HETATM    2  C1  UNL     1      -3.537   0.133   0.238  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.757   0.446   1.319  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.381   0.398   1.240  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.721   0.036   0.081  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.724  -0.017  -0.012  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.337  -0.916  -0.843  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.718  -0.974  -0.939  1.00  0.00           C  
HETATM    9 CL2  UNL     1       3.488  -2.133  -2.011  1.00  0.00          CL  
HETATM   10  C8  UNL     1       3.487  -0.125  -0.195  1.00  0.00           C  
HETATM   11 CL3  UNL     1       5.244  -0.165  -0.286  1.00  0.00          CL  
HETATM   12  C9  UNL     1       2.899   0.792   0.652  1.00  0.00           C  
HETATM   13 CL4  UNL     1       3.845   1.905   1.631  1.00  0.00          CL  
HETATM   14  C10 UNL     1       1.503   0.830   0.730  1.00  0.00           C  
HETATM   15  C11 UNL     1      -1.535  -0.280  -1.011  1.00  0.00           C  
HETATM   16  C12 UNL     1      -2.909  -0.233  -0.933  1.00  0.00           C  
HETATM   17 CL5  UNL     1      -3.869  -0.642  -2.342  1.00  0.00          CL  
HETATM   18  H1  UNL     1      -3.273   0.733   2.239  1.00  0.00           H  
HETATM   19  H2  UNL     1      -0.781   0.649   2.105  1.00  0.00           H  
HETATM   20  H3  UNL     1       0.782  -1.617  -1.460  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.058   1.558   1.402  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.015  -0.568  -1.932  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   16
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   16   22
CONECT   16   17
END