TABLE 1.

Atomic partial charges for VA model

N	Atom type	Charges (q/e)
1	C	−0.20
2	H	0.20
3	C	−0.20
4	H	0.20
5	C	−0.10
6	H	0.10
7	C	0.24
8	O	−0.41
9	C	0.14
10	H	0.01
11	H	0.01
12	H	0.01
13	C	0.10
14	C	0.14
15	O	−0.60
16	H	0.40
17	H	−0.02
18	H	−0.02
19	C	0.24
20	O	−0.41
21	C	0.14
22	H	0.01
23	H	0.01
24	H	0.01