| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| C1 | 0.69533 (14) | 0.5752 (3) | 0.0533 (3) | 0.0902 (8) | |
| H1A | 0.7017 | 0.4946 | 0.0284 | 0.135* | |
| H1B | 0.7384 | 0.6038 | 0.0974 | 0.135* | |
| H1C | 0.6843 | 0.6218 | −0.0234 | 0.135* | |
| C2 | 0.63501 (10) | 0.58356 (19) | 0.1438 (2) | 0.0620 (5) | |
| C3 | 0.62922 (11) | 0.67605 (18) | 0.2302 (2) | 0.0653 (5) | |
| H3A | 0.6637 | 0.7348 | 0.2338 | 0.078* | |
| C4 | 0.57306 (10) | 0.68315 (16) | 0.3114 (2) | 0.0573 (5) | |
| H4A | 0.5708 | 0.7463 | 0.3689 | 0.069* | |
| C5 | 0.51993 (8) | 0.59785 (14) | 0.30881 (16) | 0.0450 (4) | |
| C6 | 0.52728 (11) | 0.50508 (18) | 0.2236 (2) | 0.0637 (5) | |
| H6A | 0.4934 | 0.4453 | 0.2203 | 0.076* | |
| C7 | 0.58344 (11) | 0.4987 (2) | 0.1430 (2) | 0.0721 (6) | |
| H7A | 0.5863 | 0.4349 | 0.0866 | 0.087* | |
| C8 | 0.45731 (8) | 0.60752 (14) | 0.38914 (15) | 0.0430 (4) | |
| C9 | 0.45342 (9) | 0.68570 (16) | 0.48623 (17) | 0.0514 (4) | |
| H9A | 0.4933 | 0.7316 | 0.5081 | 0.062* | |
| C10 | 0.39042 (10) | 0.70302 (18) | 0.55941 (19) | 0.0612 (5) | |
| C11 | 0.33058 (11) | 0.6119 (2) | 0.5394 (2) | 0.0475 (7) | 0.796 (5) |
| H11A | 0.3420 | 0.5425 | 0.5935 | 0.057* | 0.796 (5) |
| C12 | 0.32392 (11) | 0.5796 (2) | 0.3939 (2) | 0.0434 (6) | 0.796 (5) |
| H12A | 0.3154 | 0.6520 | 0.3433 | 0.052* | 0.796 (5) |
| C11A | 0.3197 (4) | 0.6664 (8) | 0.4725 (9) | 0.044 (2)* | 0.204 (5) |
| H11B | 0.3085 | 0.7140 | 0.3940 | 0.053* | 0.204 (5) |
| C12A | 0.3363 (4) | 0.5376 (9) | 0.4490 (10) | 0.042 (2)* | 0.204 (5) |
| H12B | 0.3454 | 0.4923 | 0.5298 | 0.050* | 0.204 (5) |
| C13 | 0.39476 (8) | 0.52783 (14) | 0.35494 (16) | 0.0454 (4) | |
| H13A | 0.4034 | 0.4519 | 0.3962 | 0.054* | |
| H13B | 0.3909 | 0.5157 | 0.2610 | 0.054* | |
| C14 | 0.26209 (9) | 0.49678 (16) | 0.3617 (2) | 0.0568 (5) | |
| C15 | 0.24061 (10) | 0.40353 (19) | 0.4418 (2) | 0.0645 (5) | |
| H15A | 0.2664 | 0.3881 | 0.5203 | 0.077* | |
| C16 | 0.18260 (10) | 0.33559 (18) | 0.4062 (2) | 0.0636 (5) | |
| H16A | 0.1693 | 0.2751 | 0.4610 | 0.076* | |
| C17 | 0.14295 (9) | 0.35618 (16) | 0.28796 (18) | 0.0523 (4) | |
| C18 | 0.16472 (9) | 0.44890 (16) | 0.20758 (18) | 0.0527 (4) | |
| C19 | 0.22422 (10) | 0.51671 (16) | 0.24743 (19) | 0.0562 (5) | |
| H19A | 0.2381 | 0.5774 | 0.1936 | 0.067* | |
| C20 | 0.12407 (12) | 0.47106 (19) | 0.0890 (2) | 0.0675 (5) | |
| H20A | 0.1372 | 0.5322 | 0.0351 | 0.081* | |
| C21 | 0.06648 (12) | 0.4046 (2) | 0.0531 (2) | 0.0719 (6) | |
| H21A | 0.0409 | 0.4200 | −0.0256 | 0.086* | |
| C22 | 0.04508 (10) | 0.3132 (2) | 0.1328 (2) | 0.0674 (5) | |
| C23 | 0.08194 (10) | 0.28904 (19) | 0.2477 (2) | 0.0640 (5) | |
| H23A | 0.0671 | 0.2281 | 0.3004 | 0.077* | |
| C24 | −0.03910 (16) | 0.1578 (3) | 0.1573 (4) | 0.1188 (11) | |
| H24A | −0.0841 | 0.1311 | 0.1191 | 0.178* | |
| H24B | −0.0446 | 0.1818 | 0.2461 | 0.178* | |
| H24C | −0.0050 | 0.0950 | 0.1560 | 0.178* | |
| C25 | 0.26128 (11) | 0.6665 (2) | 0.5797 (2) | 0.0677 (6) | |
| C26 | 0.17635 (17) | 0.6450 (3) | 0.7353 (3) | 0.1119 (11) | |
| H26A | 0.1831 | 0.6592 | 0.8287 | 0.134* | |
| H26B | 0.1590 | 0.7172 | 0.6939 | 0.134* | |
| C27 | 0.1251 (2) | 0.5530 (4) | 0.7114 (4) | 0.1364 (13) | |
| H27A | 0.0832 | 0.5701 | 0.7569 | 0.205* | |
| H27B | 0.1451 | 0.4796 | 0.7420 | 0.205* | |
| H27C | 0.1128 | 0.5478 | 0.6192 | 0.205* | |
| O1 | 0.38635 (9) | 0.78077 (15) | 0.64006 (17) | 0.0873 (5) | |
| O2 | 0.24308 (9) | 0.61212 (16) | 0.68399 (18) | 0.0907 (5) | |
| O3 | 0.22736 (11) | 0.74372 (19) | 0.52718 (18) | 0.0983 (6) | |
| O4 | −0.01487 (9) | 0.25493 (19) | 0.08413 (19) | 0.0963 (6) |