COMPND    HMDB0059826
HETATM    1  C1  UNL     1       4.202   0.396  -0.146  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.717   0.406  -0.093  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.003   1.559   0.150  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.618   1.553   0.197  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.103   0.369  -0.003  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.615  -0.782  -0.246  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.010  -0.758  -0.289  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.077  -2.077  -0.467  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.296  -2.087   0.439  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.191  -0.980  -0.018  1.00  0.00           C  
HETATM   11  C11 UNL     1      -1.567   0.382   0.049  1.00  0.00           C  
HETATM   12  C12 UNL     1      -1.983   1.015   1.369  1.00  0.00           C  
HETATM   13  C13 UNL     1      -2.169   1.200  -1.096  1.00  0.00           C  
HETATM   14  H1  UNL     1       4.528   0.872  -1.098  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.615   0.998   0.690  1.00  0.00           H  
HETATM   16  H3  UNL     1       4.577  -0.633  -0.124  1.00  0.00           H  
HETATM   17  H4  UNL     1       2.580   2.478   0.305  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.094   2.481   0.391  1.00  0.00           H  
HETATM   19  H6  UNL     1       2.559  -1.665  -0.480  1.00  0.00           H  
HETATM   20  H7  UNL     1       0.538  -2.950  -0.214  1.00  0.00           H  
HETATM   21  H8  UNL     1      -0.464  -2.101  -1.515  1.00  0.00           H  
HETATM   22  H9  UNL     1      -1.032  -1.931   1.501  1.00  0.00           H  
HETATM   23  H10 UNL     1      -1.815  -3.043   0.254  1.00  0.00           H  
HETATM   24  H11 UNL     1      -2.513  -1.235  -1.070  1.00  0.00           H  
HETATM   25  H12 UNL     1      -3.149  -1.019   0.570  1.00  0.00           H  
HETATM   26  H13 UNL     1      -2.923   0.580   1.756  1.00  0.00           H  
HETATM   27  H14 UNL     1      -1.183   0.865   2.139  1.00  0.00           H  
HETATM   28  H15 UNL     1      -2.179   2.093   1.177  1.00  0.00           H  
HETATM   29  H16 UNL     1      -2.034   0.602  -2.034  1.00  0.00           H  
HETATM   30  H17 UNL     1      -3.262   1.222  -0.910  1.00  0.00           H  
HETATM   31  H18 UNL     1      -1.716   2.190  -1.186  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    3    7
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   11
CONECT    6    7    7    8
CONECT    7   19
CONECT    8    9   20   21
CONECT    9   10   22   23
CONECT   10   11   24   25
CONECT   11   12   13
CONECT   12   26   27   28
CONECT   13   29   30   31
END