COMPND    HMDB0041872
HETATM    1  C1  UNL     1       3.743  -0.350  -0.080  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.347   0.143   0.193  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.131   1.174   1.090  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.838   1.605   1.321  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.219   1.011   0.661  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.011  -0.019  -0.237  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.099  -0.693  -0.972  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.432  -0.152  -0.648  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.221  -0.639   0.373  1.00  0.00           C  
HETATM   10  N1  UNL     1      -4.342   0.106   0.346  1.00  0.00           N  
HETATM   11  C10 UNL     1      -4.298   1.027  -0.629  1.00  0.00           C  
HETATM   12  N2  UNL     1      -3.110   0.852  -1.233  1.00  0.00           N  
HETATM   13  C11 UNL     1       1.275  -0.444  -0.463  1.00  0.00           C  
HETATM   14  C12 UNL     1       1.590  -1.556  -1.421  1.00  0.00           C  
HETATM   15  H1  UNL     1       3.865  -1.407   0.205  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.895  -0.256  -1.186  1.00  0.00           H  
HETATM   17  H3  UNL     1       4.443   0.287   0.468  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.984   1.623   1.595  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.696   2.422   2.036  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.227   1.357   0.849  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.085  -1.778  -0.747  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.923  -0.565  -2.070  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.012  -1.456   1.074  1.00  0.00           H  
HETATM   24  H10 UNL     1      -5.078   1.763  -0.871  1.00  0.00           H  
HETATM   25  H11 UNL     1      -2.797   1.435  -2.039  1.00  0.00           H  
HETATM   26  H12 UNL     1       1.833  -1.085  -2.400  1.00  0.00           H  
HETATM   27  H13 UNL     1       0.747  -2.256  -1.513  1.00  0.00           H  
HETATM   28  H14 UNL     1       2.467  -2.147  -1.084  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    3   13
CONECT    3    4   18
CONECT    4    5    5   19
CONECT    5    6   20
CONECT    6    7   13   13
CONECT    7    8   21   22
CONECT    8    9    9   12
CONECT    9   10   23
CONECT   10   11   11
CONECT   11   12   24
CONECT   12   25
CONECT   13   14
CONECT   14   26   27   28
END