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 |