| x | y | z | Uiso*/Ueq | ||
| N1 | 0.44347 (10) | 0.7887 (2) | 0.60405 (6) | 0.0446 (4) | |
| N2 | 0.31637 (10) | 0.4894 (2) | 0.58318 (6) | 0.0443 (4) | |
| N3 | 0.15374 (11) | 0.2821 (2) | 0.46867 (7) | 0.0492 (4) | |
| O1 | 0.33529 (13) | 0.4038 (3) | 0.79890 (7) | 0.0800 (5) | |
| C1 | 0.38623 (12) | 0.6362 (3) | 0.63074 (7) | 0.0415 (4) | |
| C2 | 0.39605 (12) | 0.6082 (3) | 0.70773 (8) | 0.0435 (4) | |
| C3 | 0.46317 (13) | 0.7537 (3) | 0.75426 (8) | 0.0456 (4) | |
| H3 | 0.4690 | 0.7410 | 0.8040 | 0.055* | |
| C4 | 0.52382 (12) | 0.9229 (3) | 0.72789 (8) | 0.0429 (4) | |
| C5 | 0.59503 (14) | 1.0786 (3) | 0.77313 (9) | 0.0517 (5) | |
| H5 | 0.6035 | 1.0718 | 0.8232 | 0.062* | |
| C6 | 0.65119 (15) | 1.2380 (3) | 0.74416 (10) | 0.0571 (5) | |
| H6 | 0.6980 | 1.3397 | 0.7744 | 0.068* | |
| C7 | 0.63874 (16) | 1.2497 (3) | 0.66853 (10) | 0.0580 (5) | |
| H7 | 0.6768 | 1.3606 | 0.6490 | 0.070* | |
| C8 | 0.57153 (14) | 1.1003 (3) | 0.62334 (9) | 0.0516 (5) | |
| H8 | 0.5648 | 1.1094 | 0.5734 | 0.062* | |
| C9 | 0.51232 (12) | 0.9326 (3) | 0.65156 (8) | 0.0430 (4) | |
| C10 | 0.19665 (13) | 0.5037 (3) | 0.58101 (8) | 0.0477 (4) | |
| H10A | 0.1659 | 0.6413 | 0.5560 | 0.057* | |
| H10B | 0.1861 | 0.5100 | 0.6302 | 0.057* | |
| C11 | 0.13648 (13) | 0.3007 (3) | 0.54226 (9) | 0.0517 (5) | |
| H11A | 0.1635 | 0.1642 | 0.5694 | 0.062* | |
| H11B | 0.0573 | 0.3142 | 0.5399 | 0.062* | |
| C12 | 0.27299 (14) | 0.2697 (3) | 0.47221 (9) | 0.0522 (5) | |
| H12A | 0.2846 | 0.2582 | 0.4234 | 0.063* | |
| H12B | 0.3038 | 0.1347 | 0.4988 | 0.063* | |
| C13 | 0.33266 (14) | 0.4768 (3) | 0.50926 (8) | 0.0516 (5) | |
| H13A | 0.4117 | 0.4670 | 0.5106 | 0.062* | |
| H13B | 0.3031 | 0.6123 | 0.4824 | 0.062* | |
| C14 | 0.09682 (18) | 0.0831 (4) | 0.43236 (9) | 0.0660 (6) | |
| H14A | 0.1106 | 0.0708 | 0.3846 | 0.099* | |
| H14B | 0.0181 | 0.0973 | 0.4285 | 0.099* | |
| H14C | 0.1242 | −0.0501 | 0.4600 | 0.099* | |
| C15 | 0.34545 (14) | 0.4132 (3) | 0.73732 (9) | 0.0561 (5) | |
| H15 | 0.3201 | 0.2913 | 0.7067 | 0.067* |