COMPND    HMDB0245035
HETATM    1  O1  UNL     1       0.378   1.063   2.299  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.323   0.559   1.423  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.464  -0.030   1.985  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.446  -0.551   1.170  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.298  -0.490  -0.197  1.00  0.00           C  
HETATM    6 CL1  UNL     1       4.558  -1.160  -1.238  1.00  0.00          CL  
HETATM    7  C5  UNL     1       2.164   0.096  -0.724  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.164   0.627   0.058  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.012   1.227  -0.587  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.224   0.407  -0.583  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.426  -0.572  -1.555  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.591  -1.301  -1.497  1.00  0.00           C  
HETATM   13  C11 UNL     1      -3.538  -1.076  -0.510  1.00  0.00           C  
HETATM   14  C12 UNL     1      -3.324  -0.118   0.429  1.00  0.00           C  
HETATM   15  C13 UNL     1      -2.165   0.630   0.397  1.00  0.00           C  
HETATM   16  H1  UNL     1       0.484   1.018   3.292  1.00  0.00           H  
HETATM   17  H2  UNL     1       2.593  -0.084   3.066  1.00  0.00           H  
HETATM   18  H3  UNL     1       4.352  -1.020   1.566  1.00  0.00           H  
HETATM   19  H4  UNL     1       2.067   0.134  -1.803  1.00  0.00           H  
HETATM   20  H5  UNL     1       0.234   1.420  -1.671  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.186   2.251  -0.147  1.00  0.00           H  
HETATM   22  H7  UNL     1      -0.685  -0.753  -2.334  1.00  0.00           H  
HETATM   23  H8  UNL     1      -2.759  -2.062  -2.244  1.00  0.00           H  
HETATM   24  H9  UNL     1      -4.460  -1.648  -0.457  1.00  0.00           H  
HETATM   25  H10 UNL     1      -4.076   0.058   1.209  1.00  0.00           H  
HETATM   26  H11 UNL     1      -2.078   1.374   1.179  1.00  0.00           H  
CONECT    1    2   16
CONECT    2    3    3    8
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6    7
CONECT    7    8    8   19
CONECT    8    9
CONECT    9   10   20   21
CONECT   10   11   11   15
CONECT   11   12   22
CONECT   12   13   13   23
CONECT   13   14   24
CONECT   14   15   15   25
CONECT   15   26
END