COMPND    HMDB0033566
HETATM    1  C1  UNL     1       6.114   0.340   1.434  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.471  -0.164   0.403  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.029   0.072   0.259  1.00  0.00           C  
HETATM    4  S1  UNL     1       3.151  -1.518   0.251  1.00  0.00           S  
HETATM    5  S2  UNL     1       1.065  -1.270   0.047  1.00  0.00           S  
HETATM    6  C4  UNL     1       0.543  -1.259  -1.655  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.434  -0.444  -1.997  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.027   0.409  -0.937  1.00  0.00           C  
HETATM    9  S3  UNL     1      -2.785  -0.046  -0.867  1.00  0.00           S  
HETATM   10  O1  UNL     1      -2.863  -1.526  -0.555  1.00  0.00           O  
HETATM   11  C7  UNL     1      -3.630   0.922   0.391  1.00  0.00           C  
HETATM   12  C8  UNL     1      -5.047   0.498   0.388  1.00  0.00           C  
HETATM   13  C9  UNL     1      -5.591  -0.014   1.476  1.00  0.00           C  
HETATM   14  H1  UNL     1       5.616   0.926   2.184  1.00  0.00           H  
HETATM   15  H2  UNL     1       7.190   0.180   1.569  1.00  0.00           H  
HETATM   16  H3  UNL     1       5.971  -0.753  -0.351  1.00  0.00           H  
HETATM   17  H4  UNL     1       3.860   0.518  -0.751  1.00  0.00           H  
HETATM   18  H5  UNL     1       3.611   0.782   0.983  1.00  0.00           H  
HETATM   19  H6  UNL     1       1.034  -1.914  -2.354  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.812  -0.381  -3.035  1.00  0.00           H  
HETATM   21  H8  UNL     1      -0.538   0.296   0.030  1.00  0.00           H  
HETATM   22  H9  UNL     1      -0.997   1.490  -1.203  1.00  0.00           H  
HETATM   23  H10 UNL     1      -3.191   0.700   1.374  1.00  0.00           H  
HETATM   24  H11 UNL     1      -3.497   2.000   0.207  1.00  0.00           H  
HETATM   25  H12 UNL     1      -5.617   0.614  -0.507  1.00  0.00           H  
HETATM   26  H13 UNL     1      -6.639  -0.338   1.505  1.00  0.00           H  
HETATM   27  H14 UNL     1      -4.987  -0.119   2.368  1.00  0.00           H  
CONECT    1    2    2   14   15
CONECT    2    3   16
CONECT    3    4   17   18
CONECT    4    5
CONECT    5    6
CONECT    6    7    7   19
CONECT    7    8   20
CONECT    8    9   21   22
CONECT    9   10   10   11
CONECT   11   12   23   24
CONECT   12   13   13   25
CONECT   13   26   27
END