| Atom |
MPP |
CPP |
| N1 |
-0.554 |
-0.551 |
| C2 |
-0.190 |
-0.180 |
| C3 |
-0.183 |
-0.178 |
| N4 |
-0.667 |
-0.682 |
| C5 |
-0.189 |
-0.185 |
| C6 |
-0.185 |
-0.171 |
| C7 |
0.146 |
0.157 |
| C8 |
-0.238 |
-0.226 |
| C9 |
-0.201 |
-0.193 |
| C10 |
-0.217 |
-0.212 |
| C11 |
-0.227 |
-0.214 |
| C12 |
-0.289 |
-0.049 |
| H13 |
0.161 |
0.173 |
| H14 |
0.205 |
0.205 |
| H15 |
0.194 |
0.194 |
| H16 |
0.186 |
0.165 |
| H17 |
0.340 |
0.352 |
| H18 |
0.195 |
0.195 |
| H19 |
0.185 |
0.168 |
| H20 |
0.161 |
0.175 |
| H21 |
0.224 |
0.212 |
| H22 |
0.208 |
0.212 |
| H23 |
0.203 |
0.205 |
| H24 |
0.208 |
0.208 |
| H25 |
0.214 |
0.220 |
| O26,Cl26 |
-0.591 |
-0.008 |
| C27 |
0.196 |
- |
| H28 |
0.181 |
- |
| H29 |
0.176 |
- |
| H30 |
0.164 |
- |
|
