| ATOM | CHARGES | |
| DFT | HF | |
| C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 C17 N18 C19 H20 H21 H22 H23 H24 N25 C26 C27 C28 C29 H30 H31 H32 H33 H34 H35 H36 | 0.197975 −0.132399 0.051453 −0.093132 0.067261 −0.102881 −0.125630 −0.034270 −0.071621 −0.113094 −0.096077 −0.065258 0.219385 −0.072306 −0.148998 −0.246228 0.178749 −0.857865 −0.100270 0.307530 0.219484 0.224976 0.286579 0.242774 −0.457726 −0.388548 −0.395855 −0.233856 −0.1418690 0.199874 0.199877 0.203037 0.204392 0.214170 0.202767 0.172618 | 0.289952 −0.189103 −0.022161 0.052123 −0.078313 0.007909 −0.396749 0.054490 −0.042288 0.008468 −0.046427 0.071413 0.336054 −0.204861 0.143168 −0.1341124 0.267552 −1.044565 −0.030929 0.390279 0.286861 0.283967 0.347006 0.269603 −0.636131 −0.431101 −0.445328 −0.214962 −0.382682 0.223487 0.217643 0.226773 0.226490 0.236353 0.225489 0.176919 |