COMPND    HMDB0240500
HETATM    1  O1  UNL     1       6.514   1.894  -0.513  1.00  0.00           O  
HETATM    2  S1  UNL     1       5.339   1.395   0.272  1.00  0.00           S  
HETATM    3  O2  UNL     1       5.829   0.387   1.250  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.684   2.701   1.096  1.00  0.00           O  
HETATM    5  O4  UNL     1       4.226   0.690  -0.780  1.00  0.00           O  
HETATM    6  C1  UNL     1       3.260  -0.215  -0.389  1.00  0.00           C  
HETATM    7  C2  UNL     1       3.523  -1.576  -0.390  1.00  0.00           C  
HETATM    8  C3  UNL     1       2.544  -2.471   0.006  1.00  0.00           C  
HETATM    9  O5  UNL     1       2.822  -3.838   0.000  1.00  0.00           O  
HETATM   10  C4  UNL     1       1.318  -1.978   0.394  1.00  0.00           C  
HETATM   11  C5  UNL     1       1.053  -0.626   0.396  1.00  0.00           C  
HETATM   12  C6  UNL     1      -0.313  -0.165   0.834  1.00  0.00           C  
HETATM   13  C7  UNL     1      -1.160  -0.131  -0.428  1.00  0.00           C  
HETATM   14  C8  UNL     1      -2.537   0.303  -0.178  1.00  0.00           C  
HETATM   15  C9  UNL     1      -3.484  -0.654   0.124  1.00  0.00           C  
HETATM   16  C10 UNL     1      -4.802  -0.355   0.375  1.00  0.00           C  
HETATM   17  C11 UNL     1      -5.191   0.968   0.321  1.00  0.00           C  
HETATM   18  O6  UNL     1      -6.502   1.302   0.567  1.00  0.00           O  
HETATM   19  C12 UNL     1      -4.259   1.944   0.021  1.00  0.00           C  
HETATM   20  C13 UNL     1      -2.942   1.627  -0.228  1.00  0.00           C  
HETATM   21  C14 UNL     1       2.023   0.265   0.004  1.00  0.00           C  
HETATM   22  H1  UNL     1       3.771   2.927   0.745  1.00  0.00           H  
HETATM   23  H2  UNL     1       4.505  -1.955  -0.702  1.00  0.00           H  
HETATM   24  H3  UNL     1       2.623  -4.369  -0.860  1.00  0.00           H  
HETATM   25  H4  UNL     1       0.578  -2.719   0.697  1.00  0.00           H  
HETATM   26  H5  UNL     1      -0.740  -0.939   1.482  1.00  0.00           H  
HETATM   27  H6  UNL     1      -0.237   0.824   1.308  1.00  0.00           H  
HETATM   28  H7  UNL     1      -1.177  -1.164  -0.829  1.00  0.00           H  
HETATM   29  H8  UNL     1      -0.642   0.486  -1.191  1.00  0.00           H  
HETATM   30  H9  UNL     1      -3.208  -1.710   0.173  1.00  0.00           H  
HETATM   31  H10 UNL     1      -5.560  -1.089   0.613  1.00  0.00           H  
HETATM   32  H11 UNL     1      -6.908   1.527   1.444  1.00  0.00           H  
HETATM   33  H12 UNL     1      -4.564   2.991  -0.022  1.00  0.00           H  
HETATM   34  H13 UNL     1      -2.193   2.381  -0.466  1.00  0.00           H  
HETATM   35  H14 UNL     1       1.807   1.343   0.007  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4    5
CONECT    4   22
CONECT    5    6
CONECT    6    7    7   21
CONECT    7    8   23
CONECT    8    9   10   10
CONECT    9   24
CONECT   10   11   25
CONECT   11   12   21   21
CONECT   12   13   26   27
CONECT   13   14   28   29
CONECT   14   15   15   20
CONECT   15   16   30
CONECT   16   17   17   31
CONECT   17   18   19
CONECT   18   32
CONECT   19   20   20   33
CONECT   20   34
CONECT   21   35
END