| x | y | z | Uiso*/Ueq | ||
| C1 | 0.4259 (5) | 0.1591 (3) | 0.1743 (3) | 0.0497 (7) | |
| C2 | 0.3612 (5) | 0.2317 (4) | 0.2902 (3) | 0.0606 (9) | |
| H2 | 0.2384 | 0.2966 | 0.2946 | 0.073* | |
| C3 | 0.4814 (6) | 0.2060 (4) | 0.3978 (3) | 0.0729 (10) | |
| H3 | 0.4399 | 0.2533 | 0.4760 | 0.087* | |
| C4 | 0.6631 (6) | 0.1104 (4) | 0.3901 (3) | 0.0688 (9) | |
| H4 | 0.7494 | 0.0940 | 0.4617 | 0.083* | |
| C5 | 0.7120 (5) | 0.0399 (4) | 0.2725 (3) | 0.0616 (9) | |
| H5 | 0.8323 | −0.0274 | 0.2667 | 0.074* | |
| C6 | 0.1290 (5) | 0.2807 (4) | 0.0538 (3) | 0.0609 (9) | |
| H6A | 0.1624 | 0.3874 | 0.1022 | 0.073* | |
| H6B | −0.0012 | 0.2245 | 0.0903 | 0.073* | |
| C7 | 0.0728 (5) | 0.3080 (3) | −0.0806 (3) | 0.0487 (7) | |
| C8 | 0.2253 (5) | 0.3955 (4) | −0.1514 (3) | 0.0616 (8) | |
| H8 | 0.3653 | 0.4367 | −0.1155 | 0.074* | |
| C9 | 0.1723 (6) | 0.4224 (4) | −0.2746 (3) | 0.0702 (10) | |
| H9 | 0.2763 | 0.4823 | −0.3210 | 0.084* | |
| C10 | −0.0325 (6) | 0.3617 (4) | −0.3297 (3) | 0.0712 (10) | |
| H10 | −0.0670 | 0.3785 | −0.4135 | 0.085* | |
| C11 | −0.1851 (6) | 0.2764 (4) | −0.2600 (3) | 0.0686 (10) | |
| H11 | −0.3257 | 0.2362 | −0.2958 | 0.082* | |
| C12 | −0.1314 (5) | 0.2501 (4) | −0.1371 (3) | 0.0587 (8) | |
| H12 | −0.2367 | 0.1911 | −0.0910 | 0.070* | |
| N1 | 0.3211 (4) | 0.1824 (3) | 0.0631 (2) | 0.0584 (7) | |
| H1A | 0.3715 | 0.1364 | −0.0055 | 0.070* | |
| N2 | 0.5982 (4) | 0.0617 (3) | 0.1662 (2) | 0.0553 (7) |