| x | y | z | Uiso*/Ueq | ||
| C1 | 0.3367 (2) | 0.08044 (12) | 0.8614 (3) | 0.0535 (7) | |
| H1 | 0.4005 | 0.0494 | 0.9231 | 0.064* | |
| C2 | 0.3057 (3) | 0.13943 (12) | 0.9370 (3) | 0.0620 (7) | |
| H2 | 0.3483 | 0.1490 | 1.0509 | 0.074* | |
| C3 | 0.2092 (3) | 0.18631 (13) | 0.8436 (3) | 0.0613 (7) | |
| H3 | 0.1880 | 0.2267 | 0.8963 | 0.074* | |
| C4 | 0.1464 (2) | 0.17291 (11) | 0.6764 (3) | 0.0501 (6) | |
| H4 | 0.0825 | 0.2041 | 0.6154 | 0.060* | |
| C5 | 0.1782 (2) | 0.11209 (10) | 0.5963 (3) | 0.0426 (6) | |
| C6 | 0.1348 (2) | 0.08293 (10) | 0.4309 (3) | 0.0445 (6) | |
| C7 | 0.2020 (2) | 0.02004 (11) | 0.4333 (3) | 0.0477 (6) | |
| H7 | 0.1906 | −0.0104 | 0.3403 | 0.057* | |
| C8 | 0.2880 (2) | 0.00854 (10) | 0.5917 (3) | 0.0449 (6) | |
| C9 | 0.3887 (2) | −0.04547 (11) | 0.6464 (3) | 0.0473 (6) | |
| C10 | 0.3774 (2) | −0.10994 (10) | 0.5398 (3) | 0.0411 (6) | |
| C11 | 0.4968 (3) | −0.13982 (12) | 0.5151 (3) | 0.0536 (7) | |
| H11 | 0.5808 | −0.1192 | 0.5626 | 0.064* | |
| C12 | 0.4918 (3) | −0.20014 (12) | 0.4201 (4) | 0.0670 (8) | |
| H12 | 0.5722 | −0.2191 | 0.4002 | 0.080* | |
| C13 | 0.3690 (3) | −0.23235 (13) | 0.3550 (3) | 0.0674 (8) | |
| H13 | 0.3662 | −0.2732 | 0.2917 | 0.081* | |
| C14 | 0.2502 (3) | −0.20418 (12) | 0.3833 (3) | 0.0611 (7) | |
| H14 | 0.1671 | −0.2265 | 0.3414 | 0.073* | |
| C15 | 0.2542 (2) | −0.14261 (11) | 0.4742 (3) | 0.0497 (6) | |
| H15 | 0.1734 | −0.1231 | 0.4912 | 0.060* | |
| C16 | 0.0427 (2) | 0.11668 (12) | 0.2879 (3) | 0.0496 (6) | |
| C17 | −0.0756 (3) | 0.10378 (13) | −0.0047 (3) | 0.0640 (7) | |
| H17A | −0.0512 | 0.0856 | −0.1073 | 0.077* | |
| H17B | −0.0680 | 0.1541 | −0.0066 | 0.077* | |
| C18 | −0.2186 (3) | 0.08400 (16) | −0.0048 (4) | 0.0880 (10) | |
| H18A | −0.2252 | 0.0343 | 0.0015 | 0.132* | |
| H18B | −0.2785 | 0.1003 | −0.1089 | 0.132* | |
| H18C | −0.2446 | 0.1046 | 0.0928 | 0.132* | |
| N1 | 0.27358 (18) | 0.06663 (9) | 0.6934 (2) | 0.0438 (5) | |
| O1 | 0.48475 (18) | −0.03908 (9) | 0.7719 (2) | 0.0698 (5) | |
| O2 | 0.01794 (18) | 0.07657 (8) | 0.1471 (2) | 0.0672 (5) | |
| O3 | −0.00443 (17) | 0.17415 (8) | 0.2920 (2) | 0.0662 (5) |