COMPND    HMDB0038430
HETATM    1  C1  UNL     1       6.175   0.508   0.086  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.081   1.037  -0.383  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.764   0.467  -0.090  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.447  -0.634   0.663  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.158  -0.960   0.784  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.243  -0.170   0.146  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.212  -0.280   0.100  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.027  -1.202   0.685  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.346  -1.082   0.487  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.774  -0.036  -0.292  1.00  0.00           C  
HETATM   11  C11 UNL     1      -4.148   0.305  -0.651  1.00  0.00           C  
HETATM   12  C12 UNL     1      -5.274   0.604  -0.959  1.00  0.00           C  
HETATM   13  C13 UNL     1      -6.654   0.958  -1.314  1.00  0.00           C  
HETATM   14  S1  UNL     1      -1.312   0.736  -0.715  1.00  0.00           S  
HETATM   15  S2  UNL     1       2.213   1.007  -0.607  1.00  0.00           S  
HETATM   16  H1  UNL     1       6.098  -0.387   0.714  1.00  0.00           H  
HETATM   17  H2  UNL     1       7.130   0.925  -0.128  1.00  0.00           H  
HETATM   18  H3  UNL     1       5.126   1.910  -0.998  1.00  0.00           H  
HETATM   19  H4  UNL     1       4.276  -1.202   1.137  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.807  -1.835   1.376  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.594  -2.017   1.300  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.114  -1.774   0.913  1.00  0.00           H  
HETATM   23  H8  UNL     1      -6.817   2.045  -1.367  1.00  0.00           H  
HETATM   24  H9  UNL     1      -7.365   0.588  -0.521  1.00  0.00           H  
HETATM   25  H10 UNL     1      -6.881   0.489  -2.279  1.00  0.00           H  
CONECT    1    2    2   16   17
CONECT    2    3   18
CONECT    3    4    4   15
CONECT    4    5   19
CONECT    5    6    6   20
CONECT    6    7   15
CONECT    7    8    8   14
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   11   14
CONECT   11   12   12   12
CONECT   12   13
CONECT   13   23   24   25
END