COMPND    HMDB0242184
HETATM    1  C1  UNL     1       3.370   1.837  -0.411  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.193   0.741   0.297  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.088  -0.238  -0.020  1.00  0.00           C  
HETATM    4  S1  UNL     1       0.979  -0.377   1.450  1.00  0.00           S  
HETATM    5  O1  UNL     1       1.854  -1.245   2.397  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.285  -1.572   0.924  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.067  -1.130  -0.261  1.00  0.00           C  
HETATM    8  N1  UNL     1      -1.823   0.040  -0.159  1.00  0.00           N  
HETATM    9  C6  UNL     1      -1.635   1.244   0.039  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.769   2.241   0.080  1.00  0.00           C  
HETATM   11  O2  UNL     1      -0.385   1.785   0.239  1.00  0.00           O  
HETATM   12  C8  UNL     1      -1.960  -2.274  -0.620  1.00  0.00           C  
HETATM   13  O3  UNL     1      -3.179  -2.069  -0.773  1.00  0.00           O  
HETATM   14  O4  UNL     1      -1.431  -3.561  -0.780  1.00  0.00           O  
HETATM   15  H1  UNL     1       2.682   2.020  -1.249  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.166   2.508  -0.155  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.854   0.528   1.133  1.00  0.00           H  
HETATM   18  H4  UNL     1       1.521   0.161  -0.856  1.00  0.00           H  
HETATM   19  H5  UNL     1       2.582  -1.196  -0.208  1.00  0.00           H  
HETATM   20  H6  UNL     1       0.229  -2.533   0.636  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.928  -1.837   1.791  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.350  -1.026  -1.118  1.00  0.00           H  
HETATM   23  H9  UNL     1      -2.425   3.245  -0.244  1.00  0.00           H  
HETATM   24  H10 UNL     1      -3.566   1.946  -0.631  1.00  0.00           H  
HETATM   25  H11 UNL     1      -3.136   2.351   1.124  1.00  0.00           H  
HETATM   26  H12 UNL     1      -0.199   2.359   1.043  1.00  0.00           H  
HETATM   27  H13 UNL     1      -1.378  -3.947  -1.720  1.00  0.00           H  
CONECT    1    2    2   15   16
CONECT    2    3   17
CONECT    3    4   18   19
CONECT    4    5    5    6
CONECT    6    7   20   21
CONECT    7    8   12   22
CONECT    8    9    9
CONECT    9   10   11
CONECT   10   23   24   25
CONECT   11   26
CONECT   12   13   13   14
CONECT   14   27
END