COMPND    HMDB0060811
HETATM    1  C1  UNL     1       5.412   0.517  -0.443  1.00  0.00           C  
HETATM    2  O1  UNL     1       4.289  -0.314  -0.630  1.00  0.00           O  
HETATM    3  C2  UNL     1       3.021   0.115  -0.273  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.797   1.377   0.282  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.500   1.738   0.615  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.432   0.892   0.414  1.00  0.00           C  
HETATM    7  N1  UNL     1      -0.887   0.997   0.643  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.532  -0.132   0.265  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.550  -0.968  -0.221  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.685  -0.346  -0.136  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.969  -0.745  -0.482  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.226  -2.226  -0.650  1.00  0.00           C  
HETATM   13  C11 UNL     1      -2.502  -2.194   0.130  1.00  0.00           C  
HETATM   14  N2  UNL     1      -2.805  -0.781   0.176  1.00  0.00           N  
HETATM   15  C12 UNL     1      -4.054  -0.110   0.145  1.00  0.00           C  
HETATM   16  C13 UNL     1      -4.149   1.364   0.204  1.00  0.00           C  
HETATM   17  O2  UNL     1      -5.121  -0.793   0.065  1.00  0.00           O  
HETATM   18  H1  UNL     1       6.308   0.043  -0.873  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.553   0.699   0.639  1.00  0.00           H  
HETATM   20  H3  UNL     1       5.215   1.480  -0.956  1.00  0.00           H  
HETATM   21  H4  UNL     1       3.646   2.030   0.434  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.317   2.721   1.049  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.400   1.831   1.061  1.00  0.00           H  
HETATM   24  H7  UNL     1       2.180  -1.710  -0.913  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.585  -3.098  -0.412  1.00  0.00           H  
HETATM   26  H9  UNL     1      -1.425  -2.190  -1.745  1.00  0.00           H  
HETATM   27  H10 UNL     1      -3.321  -2.779  -0.334  1.00  0.00           H  
HETATM   28  H11 UNL     1      -2.320  -2.571   1.171  1.00  0.00           H  
HETATM   29  H12 UNL     1      -3.957   1.648   1.274  1.00  0.00           H  
HETATM   30  H13 UNL     1      -3.344   1.787  -0.427  1.00  0.00           H  
HETATM   31  H14 UNL     1      -5.148   1.715  -0.068  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4   11
CONECT    4    5   21
CONECT    5    6    6   22
CONECT    6    7   10
CONECT    7    8   23
CONECT    8    9    9   14
CONECT    9   10   12
CONECT   10   11   11
CONECT   11   24
CONECT   12   13   25   26
CONECT   13   14   27   28
CONECT   14   15
CONECT   15   16   17   17
CONECT   16   29   30   31
END