| x | y | z | Uiso*/Ueq | ||
| N1 | 0.1152 (3) | 0.62012 (16) | 0.25206 (8) | 0.0443 (5) | |
| H1N | 0.1438 | 0.7034 | 0.2480 | 0.053* | |
| O1 | 0.2269 (3) | 0.41334 (15) | 0.22806 (8) | 0.0653 (5) | |
| O2 | −0.3406 (3) | 0.31968 (14) | 0.34457 (8) | 0.0624 (5) | |
| H2A | −0.4387 | 0.3191 | 0.3659 | 0.094* | |
| O3 | −0.6164 (3) | 0.41920 (16) | 0.40749 (9) | 0.0686 (5) | |
| C1 | 0.1729 (6) | 0.5577 (3) | 0.07966 (14) | 0.0959 (10) | |
| H1A | 0.1779 | 0.5148 | 0.0403 | 0.144* | |
| H1B | 0.1475 | 0.6515 | 0.0732 | 0.144* | |
| H1C | 0.0590 | 0.5196 | 0.0992 | 0.144* | |
| C2 | 0.3834 (5) | 0.5374 (2) | 0.12083 (11) | 0.0668 (7) | |
| H2B | 0.4978 | 0.5753 | 0.1006 | 0.080* | |
| H2C | 0.4104 | 0.4423 | 0.1259 | 0.080* | |
| C3 | 0.3882 (4) | 0.6008 (2) | 0.18464 (11) | 0.0547 (6) | |
| H3A | 0.5332 | 0.5959 | 0.2067 | 0.066* | |
| H3B | 0.3502 | 0.6945 | 0.1795 | 0.066* | |
| C4 | 0.2373 (3) | 0.5346 (2) | 0.22330 (10) | 0.0445 (5) | |
| C5 | −0.0507 (3) | 0.59311 (17) | 0.28740 (9) | 0.0398 (5) | |
| C6 | −0.1165 (3) | 0.46492 (18) | 0.29964 (10) | 0.0442 (5) | |
| H6A | −0.0497 | 0.3914 | 0.2844 | 0.053* | |
| C7 | −0.2832 (3) | 0.44685 (19) | 0.33483 (9) | 0.0444 (5) | |
| C8 | −0.3858 (3) | 0.55602 (19) | 0.35889 (9) | 0.0425 (5) | |
| C9 | −0.3162 (3) | 0.6842 (2) | 0.34437 (9) | 0.0453 (5) | |
| H9A | −0.3830 | 0.7585 | 0.3589 | 0.054* | |
| C10 | −0.1537 (3) | 0.70308 (19) | 0.30956 (9) | 0.0442 (5) | |
| H10A | −0.1116 | 0.7892 | 0.3006 | 0.053* | |
| C11 | −0.5560 (3) | 0.5341 (2) | 0.39762 (10) | 0.0490 (5) | |
| C12 | −0.6540 (3) | 0.6497 (2) | 0.42757 (10) | 0.0534 (6) | |
| H12A | −0.7122 | 0.7119 | 0.3953 | 0.064* | |
| H12B | −0.5417 | 0.6957 | 0.4547 | 0.064* | |
| C13 | −0.8299 (4) | 0.6116 (3) | 0.46512 (10) | 0.0580 (6) | |
| H13A | −0.7728 | 0.5484 | 0.4971 | 0.070* | |
| H13B | −0.9440 | 0.5673 | 0.4380 | 0.070* | |
| C14 | −0.9232 (5) | 0.7300 (3) | 0.49570 (12) | 0.0794 (8) | |
| H14A | −1.0325 | 0.6996 | 0.5192 | 0.119* | |
| H14B | −0.9846 | 0.7916 | 0.4642 | 0.119* | |
| H14C | −0.8115 | 0.7738 | 0.5231 | 0.119* |