COMPND    HMDB0061385
HETATM    1  O1  UNL     1       0.557  -2.268  -0.235  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.521  -1.286  -0.143  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.796  -1.571  -0.679  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.774  -0.610  -0.599  1.00  0.00           C  
HETATM    5 CL1  UNL     1       5.353  -0.976  -1.269  1.00  0.00          CL  
HETATM    6  C4  UNL     1       3.536   0.613  -0.012  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.290   0.843   0.492  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.242  -0.098   0.443  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.048   0.239   0.974  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.197   0.373   0.515  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.262  -0.327   1.024  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.553  -0.194   0.556  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.810   0.694  -0.491  1.00  0.00           C  
HETATM   14 CL2  UNL     1      -5.430   0.905  -1.127  1.00  0.00          CL  
HETATM   15  C11 UNL     1      -2.759   1.412  -1.023  1.00  0.00           C  
HETATM   16  C12 UNL     1      -1.477   1.249  -0.523  1.00  0.00           C  
HETATM   17 CL3  UNL     1      -0.216   2.210  -1.271  1.00  0.00          CL  
HETATM   18  H1  UNL     1      -0.354  -2.128   0.132  1.00  0.00           H  
HETATM   19  H2  UNL     1       2.979  -2.532  -1.140  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.346   1.322   0.019  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.090   1.798   0.956  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.097  -1.029   1.841  1.00  0.00           H  
HETATM   23  H6  UNL     1      -4.398  -0.740   0.949  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.979   2.102  -1.840  1.00  0.00           H  
CONECT    1    2   18
CONECT    2    3    3    8
CONECT    3    4   19
CONECT    4    5    6    6
CONECT    6    7   20
CONECT    7    8    8   21
CONECT    8    9
CONECT    9   10
CONECT   10   11   11   16
CONECT   11   12   22
CONECT   12   13   13   23
CONECT   13   14   15
CONECT   15   16   16   24
CONECT   16   17
END