| x | y | z | Uiso*/Ueq | ||
| N1 | 0.27837 (18) | 0.47311 (12) | 0.8924 (2) | 0.0521 (6) | |
| N2 | 0.2502 (2) | 0.66652 (12) | 0.6656 (3) | 0.0633 (6) | |
| N3 | 0.0590 (2) | 0.36999 (13) | 1.1010 (3) | 0.0649 (6) | |
| C1 | 0.3652 (2) | 0.42824 (15) | 0.8353 (3) | 0.0472 (6) | |
| C2 | 0.3695 (2) | 0.34558 (15) | 0.8561 (3) | 0.0559 (7) | |
| H2 | 0.3130 | 0.3204 | 0.9074 | 0.067* | |
| C3 | 0.4559 (3) | 0.30090 (16) | 0.8019 (3) | 0.0664 (8) | |
| H3 | 0.4570 | 0.2461 | 0.8183 | 0.080* | |
| C4 | 0.5403 (3) | 0.33561 (18) | 0.7243 (4) | 0.0667 (8) | |
| H4 | 0.5982 | 0.3049 | 0.6877 | 0.080* | |
| C5 | 0.5375 (2) | 0.41657 (18) | 0.7018 (3) | 0.0630 (8) | |
| H5 | 0.5941 | 0.4409 | 0.6491 | 0.076* | |
| C6 | 0.4515 (2) | 0.46266 (16) | 0.7564 (3) | 0.0553 (7) | |
| H6 | 0.4515 | 0.5175 | 0.7401 | 0.066* | |
| C7 | 0.2770 (2) | 0.55875 (14) | 0.8723 (3) | 0.0569 (7) | |
| H7A | 0.3572 | 0.5784 | 0.9120 | 0.068* | |
| H7B | 0.2283 | 0.5811 | 0.9487 | 0.068* | |
| C8 | 0.2311 (2) | 0.58934 (15) | 0.6879 (3) | 0.0469 (6) | |
| C9 | 0.1736 (2) | 0.54150 (14) | 0.5561 (3) | 0.0567 (7) | |
| H9 | 0.1621 | 0.4878 | 0.5765 | 0.068* | |
| C10 | 0.1332 (2) | 0.57366 (17) | 0.3930 (3) | 0.0648 (8) | |
| H10 | 0.0940 | 0.5420 | 0.3017 | 0.078* | |
| C11 | 0.1510 (3) | 0.65247 (19) | 0.3663 (4) | 0.0703 (9) | |
| H11 | 0.1245 | 0.6758 | 0.2573 | 0.084* | |
| C12 | 0.2089 (3) | 0.69592 (16) | 0.5048 (4) | 0.0730 (9) | |
| H12 | 0.2207 | 0.7498 | 0.4866 | 0.088* | |
| C13 | 0.1675 (2) | 0.43629 (15) | 0.9124 (3) | 0.0588 (7) | |
| H13A | 0.1477 | 0.3955 | 0.8233 | 0.071* | |
| H13B | 0.1055 | 0.4763 | 0.8889 | 0.071* | |
| C14 | 0.1647 (2) | 0.39913 (13) | 1.0875 (3) | 0.0470 (7) | |
| C15 | 0.0517 (3) | 0.33528 (16) | 1.2541 (5) | 0.0745 (9) | |
| H15 | −0.0216 | 0.3153 | 1.2668 | 0.089* | |
| C16 | 0.1452 (3) | 0.32745 (16) | 1.3924 (4) | 0.0713 (9) | |
| H16 | 0.1360 | 0.3019 | 1.4946 | 0.086* | |
| C17 | 0.2526 (3) | 0.35824 (15) | 1.3761 (4) | 0.0631 (8) | |
| H17 | 0.3177 | 0.3548 | 1.4683 | 0.076* | |
| C18 | 0.2633 (2) | 0.39451 (14) | 1.2210 (3) | 0.0538 (7) | |
| H18 | 0.3357 | 0.4155 | 1.2067 | 0.065* |