COMPND    HMDB0001876
HETATM    1  C1  UNL     1      -3.705   1.994  -0.297  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.760   1.020   0.270  1.00  0.00           N  
HETATM    3  C2  UNL     1      -2.933  -0.193  -0.478  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.005  -1.287  -0.009  1.00  0.00           C  
HETATM    5  O1  UNL     1      -2.220  -1.592   1.329  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.599  -0.799  -0.156  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.105   0.087   0.753  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.204   0.550   0.624  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.995   0.123  -0.405  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.274   0.578  -0.528  1.00  0.00           O  
HETATM   11  S1  UNL     1       4.644  -0.141   0.161  1.00  0.00           S  
HETATM   12  O3  UNL     1       5.718  -0.192  -0.901  1.00  0.00           O  
HETATM   13  O4  UNL     1       4.355  -1.532   0.654  1.00  0.00           O  
HETATM   14  O5  UNL     1       5.238   0.743   1.459  1.00  0.00           O  
HETATM   15  C8  UNL     1       1.483  -0.773  -1.317  1.00  0.00           C  
HETATM   16  O6  UNL     1       2.286  -1.203  -2.359  1.00  0.00           O  
HETATM   17  C9  UNL     1       0.185  -1.257  -1.223  1.00  0.00           C  
HETATM   18  H1  UNL     1      -4.068   2.639   0.540  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.167   2.623  -1.026  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.560   1.451  -0.697  1.00  0.00           H  
HETATM   21  H4  UNL     1      -3.038   0.865   1.272  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.782   0.051  -1.547  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.992  -0.532  -0.394  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.128  -2.209  -0.652  1.00  0.00           H  
HETATM   25  H8  UNL     1      -1.377  -1.542   1.848  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.709   0.434   1.569  1.00  0.00           H  
HETATM   27  H10 UNL     1       1.550   1.244   1.360  1.00  0.00           H  
HETATM   28  H11 UNL     1       5.226   1.689   1.205  1.00  0.00           H  
HETATM   29  H12 UNL     1       3.228  -0.882  -2.467  1.00  0.00           H  
HETATM   30  H13 UNL     1      -0.236  -1.960  -1.927  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21
CONECT    3    4   22   23
CONECT    4    5    6   24
CONECT    5   25
CONECT    6    7    7   17
CONECT    7    8   26
CONECT    8    9    9   27
CONECT    9   10   15
CONECT   10   11
CONECT   11   12   12   13   13
CONECT   11   14
CONECT   14   28
CONECT   15   16   17   17
CONECT   16   29
CONECT   17   30
END