| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| O1 | −0.18667 (13) | 0.04273 (9) | 0.01289 (7) | 0.1014 (3) | |
| O2 | 0.02489 (16) | 0.25940 (11) | 0.00650 (7) | 0.1088 (3) | |
| O3 | 0.12371 (18) | 0.20254 (8) | 0.56742 (8) | 0.1132 (3) | |
| O4 | 0.40086 (11) | 0.74605 (7) | 0.55727 (5) | 0.06973 (19) | |
| O5 | 0.52758 (10) | 0.93554 (6) | 0.71099 (5) | 0.06630 (18) | |
| N1 | −0.05477 (14) | 0.16683 (10) | 0.05611 (8) | 0.0793 (3) | |
| N2 | 0.24927 (11) | 0.45878 (8) | 0.57997 (6) | 0.06052 (19) | |
| H2 | 0.2733 | 0.5241 | 0.5401 | 0.073* | |
| C1 | 0.11370 (12) | 0.27848 (8) | 0.40099 (8) | 0.0583 (2) | |
| C2 | 0.01013 (15) | 0.12590 (9) | 0.34180 (9) | 0.0697 (3) | |
| H2A | −0.0232 | 0.0483 | 0.3789 | 0.084* | |
| C3 | −0.04350 (15) | 0.08854 (10) | 0.22924 (9) | 0.0725 (3) | |
| H3A | −0.1131 | −0.0134 | 0.1900 | 0.087* | |
| C4 | 0.00737 (13) | 0.20403 (10) | 0.17595 (8) | 0.0637 (2) | |
| C5 | 0.11309 (14) | 0.35587 (10) | 0.23110 (8) | 0.0653 (2) | |
| H5A | 0.1488 | 0.4323 | 0.1930 | 0.078* | |
| C6 | 0.16450 (14) | 0.39178 (9) | 0.34375 (8) | 0.0634 (2) | |
| H6A | 0.2347 | 0.4940 | 0.3822 | 0.076* | |
| C7 | 0.16219 (14) | 0.30877 (9) | 0.52350 (8) | 0.0657 (2) | |
| C8 | 0.30613 (12) | 0.52356 (9) | 0.69344 (7) | 0.0574 (2) | |
| C9 | 0.26962 (16) | 0.43559 (12) | 0.77040 (9) | 0.0753 (3) | |
| H9A | 0.2068 | 0.3287 | 0.7464 | 0.090* | |
| C10 | 0.32558 (18) | 0.50539 (14) | 0.88137 (10) | 0.0870 (3) | |
| H10A | 0.2980 | 0.4450 | 0.9315 | 0.104* | |
| C11 | 0.42132 (18) | 0.66243 (14) | 0.91963 (9) | 0.0817 (3) | |
| H11A | 0.4610 | 0.7079 | 0.9949 | 0.098* | |
| C12 | 0.45786 (14) | 0.75151 (11) | 0.84562 (8) | 0.0656 (2) | |
| H12A | 0.5215 | 0.8581 | 0.8714 | 0.079* | |
| C13 | 0.40165 (12) | 0.68549 (9) | 0.73274 (7) | 0.0541 (2) | |
| C14 | 0.44109 (12) | 0.78829 (9) | 0.65684 (7) | 0.0544 (2) | |
| C15A | 0.5896 (13) | 1.0482 (9) | 0.6489 (8) | 0.0698 (11) | 0.643 (14) |
| H15A | 0.4716 | 1.0511 | 0.6046 | 0.084* | 0.643 (14) |
| H15B | 0.6805 | 1.0202 | 0.5997 | 0.084* | 0.643 (14) |
| C16A | 0.6954 (13) | 1.2037 (5) | 0.7264 (5) | 0.0928 (12) | 0.643 (14) |
| H16A | 0.7493 | 1.2776 | 0.6850 | 0.139* | 0.643 (14) |
| H16B | 0.8043 | 1.1978 | 0.7747 | 0.139* | 0.643 (14) |
| H16C | 0.6005 | 1.2359 | 0.7693 | 0.139* | 0.643 (14) |
| C15B | 0.550 (2) | 1.0505 (18) | 0.6437 (16) | 0.0698 (11) | 0.357 (14) |
| H15C | 0.6508 | 1.0448 | 0.5953 | 0.084* | 0.357 (14) |
| H15D | 0.4216 | 1.0358 | 0.6001 | 0.084* | 0.357 (14) |
| C16B | 0.6185 (17) | 1.1998 (11) | 0.7309 (9) | 0.0928 (12) | 0.357 (14) |
| H16D | 0.6536 | 1.2847 | 0.6970 | 0.139* | 0.357 (14) |
| H16E | 0.7352 | 1.2045 | 0.7788 | 0.139* | 0.357 (14) |
| H16F | 0.5108 | 1.2062 | 0.7729 | 0.139* | 0.357 (14) |