COMPND    HMDB0246207
HETATM    1  C1  UNL     1      -2.351   4.935   0.815  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.970   4.839   0.643  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.461   3.577   0.432  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.288   2.478   0.398  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.696   1.165   0.172  1.00  0.00           C  
HETATM    6  N1  UNL     1      -1.455   0.049   0.127  1.00  0.00           N  
HETATM    7  C6  UNL     1      -0.924  -1.168  -0.080  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.750  -2.381  -0.128  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.149  -3.604  -0.345  1.00  0.00           C  
HETATM   10  C9  UNL     1      -1.902  -4.757  -0.395  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.272  -4.682  -0.225  1.00  0.00           C  
HETATM   12  C11 UNL     1      -3.831  -3.431  -0.011  1.00  0.00           C  
HETATM   13  N2  UNL     1      -3.095  -2.309   0.037  1.00  0.00           N  
HETATM   14  N3  UNL     1       0.404  -1.262  -0.247  1.00  0.00           N  
HETATM   15  C12 UNL     1       1.203  -0.175  -0.210  1.00  0.00           C  
HETATM   16  C13 UNL     1       2.639  -0.251  -0.387  1.00  0.00           C  
HETATM   17  C14 UNL     1       3.408   0.891  -0.341  1.00  0.00           C  
HETATM   18  C15 UNL     1       4.775   0.798  -0.512  1.00  0.00           C  
HETATM   19  C16 UNL     1       5.373  -0.424  -0.728  1.00  0.00           C  
HETATM   20  C17 UNL     1       4.574  -1.563  -0.770  1.00  0.00           C  
HETATM   21  N4  UNL     1       3.241  -1.448  -0.601  1.00  0.00           N  
HETATM   22  N5  UNL     1       0.619   1.009  -0.001  1.00  0.00           N  
HETATM   23  N6  UNL     1      -2.611   2.607   0.568  1.00  0.00           N  
HETATM   24  C18 UNL     1      -3.162   3.818   0.777  1.00  0.00           C  
HETATM   25  H1  UNL     1      -2.789   5.904   0.982  1.00  0.00           H  
HETATM   26  H2  UNL     1      -0.351   5.712   0.674  1.00  0.00           H  
HETATM   27  H3  UNL     1       0.607   3.452   0.293  1.00  0.00           H  
HETATM   28  H4  UNL     1      -0.058  -3.626  -0.475  1.00  0.00           H  
HETATM   29  H5  UNL     1      -1.438  -5.720  -0.564  1.00  0.00           H  
HETATM   30  H6  UNL     1      -3.875  -5.578  -0.262  1.00  0.00           H  
HETATM   31  H7  UNL     1      -4.907  -3.373   0.122  1.00  0.00           H  
HETATM   32  H8  UNL     1       2.948   1.856  -0.172  1.00  0.00           H  
HETATM   33  H9  UNL     1       5.345   1.725  -0.468  1.00  0.00           H  
HETATM   34  H10 UNL     1       6.435  -0.484  -0.859  1.00  0.00           H  
HETATM   35  H11 UNL     1       5.000  -2.544  -0.937  1.00  0.00           H  
HETATM   36  H12 UNL     1      -4.234   3.965   0.920  1.00  0.00           H  
CONECT    1    2    2   24   25
CONECT    2    3   26
CONECT    3    4    4   27
CONECT    4    5   23
CONECT    5    6    6   22
CONECT    6    7
CONECT    7    8   14   14
CONECT    8    9    9   13
CONECT    9   10   28
CONECT   10   11   11   29
CONECT   11   12   30
CONECT   12   13   13   31
CONECT   14   15
CONECT   15   16   22   22
CONECT   16   17   17   21
CONECT   17   18   32
CONECT   18   19   19   33
CONECT   19   20   34
CONECT   20   21   21   35
CONECT   23   24   24
CONECT   24   36
END