COMPND    HMDB0250139
HETATM    1  C1  UNL     1       3.278   0.832   0.303  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.912   0.246   0.104  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.765  -1.056  -0.302  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.553  -1.670  -0.508  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.584  -0.890  -0.280  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.843  -1.440  -0.466  1.00  0.00           C  
HETATM    7 CL1  UNL     1      -1.943  -3.118  -0.989  1.00  0.00          CL  
HETATM    8  C7  UNL     1      -2.971  -0.680  -0.243  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.825   0.630   0.165  1.00  0.00           C  
HETATM   10 CL2  UNL     1      -4.237   1.648   0.465  1.00  0.00          CL  
HETATM   11  C9  UNL     1      -1.570   1.169   0.349  1.00  0.00           C  
HETATM   12  O1  UNL     1      -1.407   2.501   0.765  1.00  0.00           O  
HETATM   13  C10 UNL     1      -0.427   0.415   0.128  1.00  0.00           C  
HETATM   14  N1  UNL     1       0.805   0.977   0.318  1.00  0.00           N  
HETATM   15  H1  UNL     1       3.555   0.841   1.374  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.041   0.284  -0.260  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.249   1.876  -0.126  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.663  -1.633  -0.471  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.426  -2.683  -0.825  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.960  -1.123  -0.393  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.479   2.875   0.892  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    3   14
CONECT    3    4   18
CONECT    4    5    5   19
CONECT    5    6   13
CONECT    6    7    8    8
CONECT    8    9   20
CONECT    9   10   11   11
CONECT   11   12   13
CONECT   12   21
CONECT   13   14   14
END