COMPND    HMDB0034070
HETATM    1  C1  UNL     1       3.679   2.913   1.986  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.678   1.782   1.286  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.079   1.785  -0.095  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.961   0.836  -0.170  1.00  0.00           C  
HETATM    5  N1  UNL     1       2.019  -0.127  -1.021  1.00  0.00           N  
HETATM    6  O1  UNL     1       3.114  -0.226  -1.816  1.00  0.00           O  
HETATM    7  S1  UNL     1       3.612  -1.638  -2.596  1.00  0.00           S  
HETATM    8  O2  UNL     1       5.014  -1.940  -2.133  1.00  0.00           O  
HETATM    9  O3  UNL     1       3.560  -1.530  -4.079  1.00  0.00           O  
HETATM   10  O4  UNL     1       2.625  -2.950  -2.165  1.00  0.00           O  
HETATM   11  S2  UNL     1       0.563   1.062   0.934  1.00  0.00           S  
HETATM   12  C5  UNL     1      -0.645  -0.248   0.587  1.00  0.00           C  
HETATM   13  O5  UNL     1      -1.162  -0.096  -0.646  1.00  0.00           O  
HETATM   14  C6  UNL     1      -2.486  -0.126  -0.867  1.00  0.00           C  
HETATM   15  C7  UNL     1      -2.999   1.313  -0.949  1.00  0.00           C  
HETATM   16  O6  UNL     1      -2.345   1.971  -2.012  1.00  0.00           O  
HETATM   17  C8  UNL     1      -3.323  -0.959   0.043  1.00  0.00           C  
HETATM   18  O7  UNL     1      -3.870  -2.071  -0.596  1.00  0.00           O  
HETATM   19  C9  UNL     1      -2.610  -1.445   1.272  1.00  0.00           C  
HETATM   20  O8  UNL     1      -3.523  -1.793   2.256  1.00  0.00           O  
HETATM   21  C10 UNL     1      -1.660  -0.370   1.698  1.00  0.00           C  
HETATM   22  O9  UNL     1      -0.957  -0.707   2.858  1.00  0.00           O  
HETATM   23  H1  UNL     1       3.257   3.816   1.565  1.00  0.00           H  
HETATM   24  H2  UNL     1       4.114   2.895   2.984  1.00  0.00           H  
HETATM   25  H3  UNL     1       4.093   0.863   1.685  1.00  0.00           H  
HETATM   26  H4  UNL     1       2.732   2.802  -0.347  1.00  0.00           H  
HETATM   27  H5  UNL     1       3.909   1.537  -0.785  1.00  0.00           H  
HETATM   28  H6  UNL     1       3.013  -3.315  -1.325  1.00  0.00           H  
HETATM   29  H7  UNL     1      -0.082  -1.229   0.600  1.00  0.00           H  
HETATM   30  H8  UNL     1      -2.654  -0.534  -1.910  1.00  0.00           H  
HETATM   31  H9  UNL     1      -2.717   1.870  -0.035  1.00  0.00           H  
HETATM   32  H10 UNL     1      -4.083   1.311  -1.077  1.00  0.00           H  
HETATM   33  H11 UNL     1      -3.062   2.480  -2.496  1.00  0.00           H  
HETATM   34  H12 UNL     1      -4.178  -0.337   0.384  1.00  0.00           H  
HETATM   35  H13 UNL     1      -3.911  -1.947  -1.579  1.00  0.00           H  
HETATM   36  H14 UNL     1      -2.021  -2.344   0.999  1.00  0.00           H  
HETATM   37  H15 UNL     1      -3.098  -2.339   2.936  1.00  0.00           H  
HETATM   38  H16 UNL     1      -2.209   0.565   1.906  1.00  0.00           H  
HETATM   39  H17 UNL     1      -0.428  -1.534   2.720  1.00  0.00           H  
CONECT    1    2    2   23   24
CONECT    2    3   25
CONECT    3    4   26   27
CONECT    4    5    5   11
CONECT    5    6
CONECT    6    7
CONECT    7    8    8    9    9
CONECT    7   10
CONECT   10   28
CONECT   11   12
CONECT   12   13   21   29
CONECT   13   14
CONECT   14   15   17   30
CONECT   15   16   31   32
CONECT   16   33
CONECT   17   18   19   34
CONECT   18   35
CONECT   19   20   21   36
CONECT   20   37
CONECT   21   22   38
CONECT   22   39
END