COMPND    HMDB0246442
HETATM    1  O1  UNL     1       4.675   0.391   0.561  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.304   0.280   0.389  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.427   0.750   1.356  1.00  0.00           C  
HETATM    4 CL1  UNL     1       3.166   1.479   2.788  1.00  0.00          CL  
HETATM    5  C3  UNL     1       1.062   0.659   1.223  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.501   0.087   0.100  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.946  -0.021  -0.081  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.581   0.342  -1.249  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.949   0.233  -1.416  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.738  -0.255  -0.391  1.00  0.00           C  
HETATM   11 CL2  UNL     1      -5.482  -0.412  -0.555  1.00  0.00          CL  
HETATM   12  C9  UNL     1      -3.120  -0.624   0.786  1.00  0.00           C  
HETATM   13 CL3  UNL     1      -4.129  -1.243   2.084  1.00  0.00          CL  
HETATM   14  C10 UNL     1      -1.751  -0.510   0.941  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.373  -0.377  -0.858  1.00  0.00           C  
HETATM   16 CL4  UNL     1       0.680  -1.120  -2.297  1.00  0.00          CL  
HETATM   17  C12 UNL     1       2.741  -0.289  -0.729  1.00  0.00           C  
HETATM   18 CL5  UNL     1       3.782  -0.902  -1.989  1.00  0.00          CL  
HETATM   19  H1  UNL     1       5.295   0.043  -0.154  1.00  0.00           H  
HETATM   20  H2  UNL     1       0.454   1.049   2.023  1.00  0.00           H  
HETATM   21  H3  UNL     1      -1.024   0.734  -2.088  1.00  0.00           H  
HETATM   22  H4  UNL     1      -3.460   0.512  -2.322  1.00  0.00           H  
HETATM   23  H5  UNL     1      -1.281  -0.806   1.877  1.00  0.00           H  
CONECT    1    2   19
CONECT    2    3    3   17
CONECT    3    4    5
CONECT    5    6    6   20
CONECT    6    7   15
CONECT    7    8    8   14
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   11   12
CONECT   12   13   14   14
CONECT   14   23
CONECT   15   16   17   17
CONECT   17   18
END