COMPND    HMDB0251229
HETATM    1 CL1  UNL     1       2.379   2.572   1.155  1.00  0.00          CL  
HETATM    2  C1  UNL     1       1.855   1.055   0.448  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.876  -0.134   1.092  1.00  0.00           C  
HETATM    4 CL2  UNL     1       2.408  -0.416   2.751  1.00  0.00          CL  
HETATM    5  C3  UNL     1       1.362  -1.168   0.134  1.00  0.00           C  
HETATM    6 CL3  UNL     1       1.890  -2.776   0.464  1.00  0.00          CL  
HETATM    7  C4  UNL     1      -0.071  -0.985  -0.192  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.019  -0.801   0.931  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.975   0.671   1.294  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.075   1.169  -0.149  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.449   0.552  -0.462  1.00  0.00           C  
HETATM   12  O1  UNL     1      -3.297   0.201   0.547  1.00  0.00           O  
HETATM   13  C9  UNL     1      -2.406  -0.796   0.253  1.00  0.00           C  
HETATM   14  C10 UNL     1      -0.105   0.371  -0.920  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.314   0.806  -0.928  1.00  0.00           C  
HETATM   16 CL4  UNL     1       1.764   1.982  -2.103  1.00  0.00          CL  
HETATM   17  C12 UNL     1       1.975  -0.576  -1.159  1.00  0.00           C  
HETATM   18 CL5  UNL     1       1.324  -1.349  -2.592  1.00  0.00          CL  
HETATM   19 CL6  UNL     1       3.710  -0.497  -1.093  1.00  0.00          CL  
HETATM   20  H1  UNL     1      -0.370  -1.782  -0.899  1.00  0.00           H  
HETATM   21  H2  UNL     1      -0.957  -1.477   1.758  1.00  0.00           H  
HETATM   22  H3  UNL     1      -1.942   0.968   1.785  1.00  0.00           H  
HETATM   23  H4  UNL     1      -0.154   1.017   1.861  1.00  0.00           H  
HETATM   24  H5  UNL     1      -1.054   2.236  -0.246  1.00  0.00           H  
HETATM   25  H6  UNL     1      -2.846   0.627  -1.466  1.00  0.00           H  
HETATM   26  H7  UNL     1      -2.712  -1.700  -0.291  1.00  0.00           H  
HETATM   27  H8  UNL     1      -0.423   0.231  -1.974  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3   15
CONECT    3    4    5
CONECT    5    6    7   17
CONECT    7    8   14   20
CONECT    8    9   13   21
CONECT    9   10   22   23
CONECT   10   11   14   24
CONECT   11   12   13   25
CONECT   12   13
CONECT   13   26
CONECT   14   15   27
CONECT   15   16   17
CONECT   17   18   19
END