COMPND    HMDB0245414
HETATM    1  C1  UNL     1       4.073  -2.003   0.486  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.034  -1.148  -0.596  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.020  -0.219  -0.745  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.001  -0.103   0.179  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.919   0.867   0.046  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.054   2.173   0.012  1.00  0.00           O  
HETATM    7  C6  UNL     1      -0.082   2.784  -0.114  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.440   4.109  -0.194  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.771   4.420  -0.326  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.745   3.450  -0.380  1.00  0.00           C  
HETATM   11  C10 UNL     1      -2.364   2.127  -0.298  1.00  0.00           C  
HETATM   12  C11 UNL     1      -1.054   1.778  -0.167  1.00  0.00           C  
HETATM   13  C12 UNL     1      -0.430   0.550  -0.066  1.00  0.00           C  
HETATM   14  C13 UNL     1      -1.071  -0.759  -0.078  1.00  0.00           C  
HETATM   15  C14 UNL     1      -0.787  -1.654  -1.086  1.00  0.00           C  
HETATM   16  C15 UNL     1      -1.391  -2.891  -1.099  1.00  0.00           C  
HETATM   17  C16 UNL     1      -2.293  -3.264  -0.106  1.00  0.00           C  
HETATM   18  C17 UNL     1      -2.584  -2.389   0.899  1.00  0.00           C  
HETATM   19  C18 UNL     1      -1.968  -1.162   0.888  1.00  0.00           C  
HETATM   20  C19 UNL     1       2.046  -0.966   1.264  1.00  0.00           C  
HETATM   21  C20 UNL     1       3.058  -1.892   1.412  1.00  0.00           C  
HETATM   22  H1  UNL     1       4.873  -2.735   0.603  1.00  0.00           H  
HETATM   23  H2  UNL     1       4.818  -1.213  -1.337  1.00  0.00           H  
HETATM   24  H3  UNL     1       2.978   0.459  -1.591  1.00  0.00           H  
HETATM   25  H4  UNL     1       0.269   4.916  -0.158  1.00  0.00           H  
HETATM   26  H5  UNL     1      -2.102   5.453  -0.393  1.00  0.00           H  
HETATM   27  H6  UNL     1      -3.781   3.736  -0.485  1.00  0.00           H  
HETATM   28  H7  UNL     1      -3.125   1.340  -0.340  1.00  0.00           H  
HETATM   29  H8  UNL     1      -0.086  -1.424  -1.899  1.00  0.00           H  
HETATM   30  H9  UNL     1      -1.187  -3.622  -1.882  1.00  0.00           H  
HETATM   31  H10 UNL     1      -2.759  -4.224  -0.119  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.274  -2.593   1.715  1.00  0.00           H  
HETATM   33  H12 UNL     1      -2.190  -0.446   1.688  1.00  0.00           H  
HETATM   34  H13 UNL     1       1.260  -0.888   1.991  1.00  0.00           H  
HETATM   35  H14 UNL     1       3.082  -2.569   2.275  1.00  0.00           H  
CONECT    1    2    2   21   22
CONECT    2    3   23
CONECT    3    4    4   24
CONECT    4    5   20
CONECT    5    6   13   13
CONECT    6    7
CONECT    7    8    8   12
CONECT    8    9   25
CONECT    9   10   10   26
CONECT   10   11   27
CONECT   11   12   12   28
CONECT   12   13
CONECT   13   14
CONECT   14   15   15   19
CONECT   15   16   29
CONECT   16   17   17   30
CONECT   17   18   31
CONECT   18   19   19   32
CONECT   19   33
CONECT   20   21   21   34
CONECT   21   35
END