COMPND    HMDB0031823
HETATM    1  C1  UNL     1      -4.051  -0.549  -0.280  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.080  -0.955   0.615  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.992  -0.142   0.889  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.848   1.083   0.282  1.00  0.00           C  
HETATM    5  S1  UNL     1      -0.506   2.188   0.561  1.00  0.00           S  
HETATM    6  S2  UNL     1       0.790   1.268   1.972  1.00  0.00           S  
HETATM    7  C5  UNL     1       1.981   0.320   1.047  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.143   0.980   0.681  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.106   0.306  -0.036  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.917  -1.015  -0.388  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.749  -1.653  -0.012  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.785  -0.996   0.700  1.00  0.00           C  
HETATM   13  C11 UNL     1      -2.838   1.461  -0.610  1.00  0.00           C  
HETATM   14  C12 UNL     1      -3.931   0.671  -0.900  1.00  0.00           C  
HETATM   15  H1  UNL     1      -4.914  -1.143  -0.526  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.190  -1.919   1.095  1.00  0.00           H  
HETATM   17  H3  UNL     1      -1.214  -0.437   1.588  1.00  0.00           H  
HETATM   18  H4  UNL     1       3.339   2.014   0.932  1.00  0.00           H  
HETATM   19  H5  UNL     1       5.039   0.790  -0.345  1.00  0.00           H  
HETATM   20  H6  UNL     1       4.702  -1.509  -0.954  1.00  0.00           H  
HETATM   21  H7  UNL     1       2.610  -2.696  -0.295  1.00  0.00           H  
HETATM   22  H8  UNL     1       0.864  -1.495   0.998  1.00  0.00           H  
HETATM   23  H9  UNL     1      -2.782   2.414  -1.119  1.00  0.00           H  
HETATM   24  H10 UNL     1      -4.675   1.015  -1.604  1.00  0.00           H  
CONECT    1    2    2   14   15
CONECT    2    3   16
CONECT    3    4    4   17
CONECT    4    5   13
CONECT    5    6
CONECT    6    7
CONECT    7    8    8   12
CONECT    8    9   18
CONECT    9   10   10   19
CONECT   10   11   20
CONECT   11   12   12   21
CONECT   12   22
CONECT   13   14   14   23
CONECT   14   24
END