| x | y | z | Uiso*/Ueq | ||
| C1 | 0.48931 (16) | 0.74540 (11) | 0.55728 (13) | 0.0410 (3) | |
| C2 | 0.53127 (17) | 0.79068 (11) | 0.46989 (14) | 0.0458 (4) | |
| H2 | 0.4856 | 0.8530 | 0.4305 | 0.055* | |
| C3 | 0.64274 (16) | 0.74433 (12) | 0.43844 (13) | 0.0434 (3) | |
| C4 | 0.71449 (15) | 0.65180 (12) | 0.48818 (13) | 0.0426 (3) | |
| C5 | 0.66896 (14) | 0.60094 (11) | 0.57753 (12) | 0.0391 (3) | |
| C6 | 0.73317 (18) | 0.50374 (13) | 0.63462 (15) | 0.0506 (4) | |
| H6 | 0.8081 | 0.4735 | 0.6153 | 0.061* | |
| C7 | 0.68819 (19) | 0.45344 (13) | 0.71690 (15) | 0.0540 (4) | |
| H7 | 0.7323 | 0.3894 | 0.7520 | 0.065* | |
| C8 | 0.57617 (17) | 0.49648 (12) | 0.74988 (13) | 0.0464 (4) | |
| C9 | 0.51403 (16) | 0.59105 (12) | 0.69828 (13) | 0.0428 (3) | |
| H9 | 0.4410 | 0.6204 | 0.7208 | 0.051* | |
| C10 | 0.55666 (14) | 0.64644 (11) | 0.61141 (12) | 0.0370 (3) | |
| C11 | 0.37186 (18) | 0.79765 (12) | 0.59387 (16) | 0.0509 (4) | |
| H11 | 0.3962 | 0.7793 | 0.6820 | 0.061* | |
| C12 | 0.2168 (2) | 0.75490 (16) | 0.5164 (2) | 0.0741 (6) | |
| H12A | 0.1910 | 0.7690 | 0.4289 | 0.111* | |
| H12B | 0.1455 | 0.7886 | 0.5420 | 0.111* | |
| H12C | 0.2155 | 0.6800 | 0.5293 | 0.111* | |
| C13 | 0.3728 (2) | 0.91812 (14) | 0.5855 (2) | 0.0693 (5) | |
| H13A | 0.4727 | 0.9438 | 0.6317 | 0.104* | |
| H13B | 0.3074 | 0.9472 | 0.6207 | 0.104* | |
| H13C | 0.3388 | 0.9391 | 0.4989 | 0.104* | |
| C14 | 0.82959 (18) | 0.60027 (15) | 0.45058 (17) | 0.0592 (4) | |
| H14A | 0.8302 | 0.6348 | 0.3772 | 0.089* | |
| H14B | 0.8050 | 0.5270 | 0.4322 | 0.089* | |
| H14C | 0.9268 | 0.6062 | 0.5184 | 0.089* | |
| C15 | 0.5277 (2) | 0.43966 (15) | 0.84114 (16) | 0.0637 (5) | |
| H15A | 0.5986 | 0.4530 | 0.9257 | 0.096* | |
| H15B | 0.5228 | 0.3651 | 0.8247 | 0.096* | |
| H15C | 0.4307 | 0.4647 | 0.8312 | 0.096* | |
| N1 | 0.67771 (18) | 0.80420 (11) | 0.34458 (13) | 0.0576 (4) | |
| O1 | 0.5730 (2) | 0.84079 (13) | 0.25427 (14) | 0.0865 (5) | |
| O2 | 0.80848 (18) | 0.81719 (14) | 0.36267 (14) | 0.0869 (5) |