COMPND    HMDB0038445
HETATM    1  S1  UNL     1       4.806   1.012  -0.364  1.00  0.00           S  
HETATM    2  C1  UNL     1       3.973  -0.335   0.005  1.00  0.00           C  
HETATM    3  N1  UNL     1       3.115  -1.256   0.155  1.00  0.00           N  
HETATM    4  C2  UNL     1       1.727  -0.950   0.532  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.087  -0.343  -0.696  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.321   0.024  -0.484  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.304  -0.910  -0.754  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.626  -0.569  -0.557  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.969   0.704  -0.090  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.991   1.639   0.181  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.672   1.284  -0.021  1.00  0.00           C  
HETATM   12  H1  UNL     1       1.235  -1.895   0.832  1.00  0.00           H  
HETATM   13  H2  UNL     1       1.764  -0.270   1.387  1.00  0.00           H  
HETATM   14  H3  UNL     1       1.141  -1.115  -1.494  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.701   0.542  -0.982  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.102  -1.906  -1.116  1.00  0.00           H  
HETATM   17  H6  UNL     1      -3.401  -1.303  -0.769  1.00  0.00           H  
HETATM   18  H7  UNL     1      -4.002   0.994   0.073  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.264   2.621   0.541  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.103   2.032   0.196  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3
CONECT    3    4
CONECT    4    5   12   13
CONECT    5    6   14   15
CONECT    6    7    7   11
CONECT    7    8   16
CONECT    8    9    9   17
CONECT    9   10   18
CONECT   10   11   11   19
CONECT   11   20
END