Table 1.

The attributes of each atom.

No	Attributes	Value	Dimension
1	Atom type	C, N, O, S, F, Si, P, Cl, Br, Mg, Na, Ca, Fe, As, Al, I, B, V, K, Tl, Yb, Sb, Sn, Ag, Pd, Co, Se, Ti, Zn, H, Li, Ge, Cu, Au, Ni, Cd, In, Mn, Zr, Cr, Pt, Hg, Pb, X	44
2	The degree of an atom	0,1,2,3,4,5	6
3	The number of Hs on the atom	0,1,2,3,4,5,6,7,8,9,10	11
4	The number of implicit Hs on the atom	0,1,2,3,4,5,6,7,8,9,10	11
5	Aromatic	1	1
	Total		73