COMPND    HMDB0248486
HETATM    1  N1  UNL     1       0.806  -3.163   0.234  1.00  0.00           N  
HETATM    2  C1  UNL     1      -0.274  -2.234   0.295  1.00  0.00           C  
HETATM    3  S1  UNL     1      -1.557  -2.649   1.202  1.00  0.00           S  
HETATM    4  C2  UNL     1      -0.138  -0.992  -0.466  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.239  -0.040  -0.349  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.693   0.570  -1.501  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.712   1.484  -1.540  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.309   1.800  -0.326  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.870   1.203   0.833  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.846   0.287   0.859  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.126  -0.242  -0.155  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.612  -0.157   1.127  1.00  0.00           C  
HETATM   13  C11 UNL     1       2.790   0.551   1.376  1.00  0.00           C  
HETATM   14  C12 UNL     1       3.462   1.159   0.350  1.00  0.00           C  
HETATM   15  C13 UNL     1       2.934   1.046  -0.918  1.00  0.00           C  
HETATM   16  N2  UNL     1       1.804   0.363  -1.135  1.00  0.00           N  
HETATM   17  H1  UNL     1       1.583  -3.121   0.944  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.781  -3.869  -0.535  1.00  0.00           H  
HETATM   19  H3  UNL     1      -0.071  -1.308  -1.550  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.241   0.341  -2.479  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.037   1.940  -2.476  1.00  0.00           H  
HETATM   22  H6  UNL     1      -4.112   2.521  -0.350  1.00  0.00           H  
HETATM   23  H7  UNL     1      -3.372   1.487   1.754  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.490  -0.186   1.759  1.00  0.00           H  
HETATM   25  H9  UNL     1       1.059  -0.648   1.919  1.00  0.00           H  
HETATM   26  H10 UNL     1       3.168   0.615   2.381  1.00  0.00           H  
HETATM   27  H11 UNL     1       4.392   1.723   0.515  1.00  0.00           H  
HETATM   28  H12 UNL     1       3.443   1.519  -1.767  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3    3    4
CONECT    4    5   11   19
CONECT    5    6    6   10
CONECT    6    7   20
CONECT    7    8    8   21
CONECT    8    9   22
CONECT    9   10   10   23
CONECT   10   24
CONECT   11   12   12   16
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   14   15   27
CONECT   15   16   16   28
END