Skip to main content
. 2012 Nov 21;2012:642745. doi: 10.1155/2012/642745

(a)

Atom
number
Atom
Type
Name Charge
group
Partial
Charge
Mass
1 OM OL 1 −0.635 15.9994
2 C CK 1 0.27 12.011
3 OM OM 1 −0.635 15.9994
4 C CJ 2 0 12.011
5 CR1 CI 2 0 13.019
6 CR1 CH 2 0 13.019
7 CR1 CG 3 0 13.019
8 CR1 CF 3 0 13.019
9 C CE 3 0 12.011
10 OA OD 4 0 15.9994
11 C CB 4 0.38 12.011
12 O OC 4 −0.38 15.9994
13 CH3 CA 5 0 15.035