COMPND    HMDB0245581
HETATM    1  C1  UNL     1       4.875  -0.367   0.992  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.547  -0.504   1.434  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.505  -0.186   0.581  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.782   0.262  -0.692  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.741   0.578  -1.538  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.411   0.470  -1.176  1.00  0.00           C  
HETATM    7  N1  UNL     1      -0.764   0.703  -1.784  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.798   0.429  -0.967  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.233   0.002   0.210  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.162   0.019   0.104  1.00  0.00           C  
HETATM   11  C9  UNL     1       1.174  -0.308   0.982  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.116  -0.384   1.337  1.00  0.00           C  
HETATM   13  C11 UNL     1      -3.397  -0.922   0.737  1.00  0.00           C  
HETATM   14  N2  UNL     1      -3.996   0.176   0.007  1.00  0.00           N  
HETATM   15  C12 UNL     1      -3.280   0.525  -1.176  1.00  0.00           C  
HETATM   16  H1  UNL     1       5.057  -0.918   0.036  1.00  0.00           H  
HETATM   17  H2  UNL     1       5.580  -0.710   1.795  1.00  0.00           H  
HETATM   18  H3  UNL     1       5.141   0.698   0.759  1.00  0.00           H  
HETATM   19  H4  UNL     1       3.831   0.358  -1.006  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.957   0.927  -2.529  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.882   1.051  -2.758  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.941  -0.658   1.978  1.00  0.00           H  
HETATM   23  H8  UNL     1      -2.347   0.493   1.987  1.00  0.00           H  
HETATM   24  H9  UNL     1      -1.598  -1.155   1.952  1.00  0.00           H  
HETATM   25  H10 UNL     1      -4.098  -1.217   1.523  1.00  0.00           H  
HETATM   26  H11 UNL     1      -3.150  -1.743   0.034  1.00  0.00           H  
HETATM   27  H12 UNL     1      -3.990   1.000   0.673  1.00  0.00           H  
HETATM   28  H13 UNL     1      -3.528   1.566  -1.485  1.00  0.00           H  
HETATM   29  H14 UNL     1      -3.525  -0.183  -2.011  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3
CONECT    3    4    4   11
CONECT    4    5   19
CONECT    5    6    6   20
CONECT    6    7   10
CONECT    7    8   21
CONECT    8    9    9   15
CONECT    9   10   12
CONECT   10   11   11
CONECT   11   22
CONECT   12   13   23   24
CONECT   13   14   25   26
CONECT   14   15   27
CONECT   15   28   29
END