COMPND    HMDB0258871
HETATM    1 CL1  UNL     1       4.464   1.575   1.902  1.00  0.00          CL  
HETATM    2  C1  UNL     1       2.951   0.944   1.278  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.707  -0.395   1.448  1.00  0.00           C  
HETATM    4 CL2  UNL     1       3.858  -1.452   2.258  1.00  0.00          CL  
HETATM    5  C3  UNL     1       1.512  -0.894   0.956  1.00  0.00           C  
HETATM    6 CL3  UNL     1       1.182  -2.598   1.161  1.00  0.00          CL  
HETATM    7  C4  UNL     1       0.574  -0.128   0.317  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.847   1.224   0.159  1.00  0.00           C  
HETATM    9  O1  UNL     1      -0.181   1.738  -0.470  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.097   0.827  -0.732  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.332   0.857  -1.360  1.00  0.00           C  
HETATM   12  C8  UNL     1      -3.096  -0.283  -1.496  1.00  0.00           C  
HETATM   13  C9  UNL     1      -2.658  -1.497  -1.010  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.428  -1.533  -0.384  1.00  0.00           C  
HETATM   15  C11 UNL     1      -0.661  -0.388  -0.248  1.00  0.00           C  
HETATM   16  C12 UNL     1       2.034   1.752   0.640  1.00  0.00           C  
HETATM   17 CL4  UNL     1       2.397   3.452   0.452  1.00  0.00          CL  
HETATM   18  H1  UNL     1      -2.670   1.833  -1.743  1.00  0.00           H  
HETATM   19  H2  UNL     1      -4.065  -0.176  -2.006  1.00  0.00           H  
HETATM   20  H3  UNL     1      -3.274  -2.390  -1.125  1.00  0.00           H  
HETATM   21  H4  UNL     1      -1.062  -2.468   0.004  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   16
CONECT    3    4    5
CONECT    5    6    7    7
CONECT    7    8   15
CONECT    8    9   16   16
CONECT    9   10
CONECT   10   11   11   15
CONECT   11   12   18
CONECT   12   13   13   19
CONECT   13   14   20
CONECT   14   15   15   21
CONECT   16   17
END