| x | y | z | Uiso*/Ueq | ||
| C1 | 0.44298 (7) | 0.64490 (8) | 0.32819 (5) | 0.0198 (2) | |
| C2 | 0.50655 (7) | 0.60105 (8) | 0.37681 (5) | 0.0203 (2) | |
| H2 | 0.5051 | 0.6191 | 0.4246 | 0.024* | |
| C3 | 0.57790 (7) | 0.52136 (8) | 0.34441 (5) | 0.0204 (2) | |
| C4 | 0.55715 (7) | 0.51958 (8) | 0.27550 (5) | 0.0227 (2) | |
| H4 | 0.5918 | 0.4750 | 0.2422 | 0.027* | |
| C5 | 0.47342 (7) | 0.59679 (8) | 0.26098 (5) | 0.0216 (2) | |
| C6 | 0.43760 (7) | 0.62688 (8) | 0.19814 (5) | 0.0224 (2) | |
| H6 | 0.3823 | 0.6788 | 0.1965 | 0.027* | |
| C7 | 0.35860 (7) | 0.72504 (8) | 0.33954 (5) | 0.0207 (2) | |
| C8 | 0.26145 (8) | 0.70904 (9) | 0.30946 (5) | 0.0249 (2) | |
| H8 | 0.2502 | 0.6466 | 0.2801 | 0.030* | |
| C9 | 0.18165 (8) | 0.78343 (9) | 0.32221 (5) | 0.0293 (2) | |
| H9 | 0.1163 | 0.7718 | 0.3013 | 0.035* | |
| C10 | 0.19672 (8) | 0.87480 (9) | 0.36532 (6) | 0.0316 (2) | |
| H10 | 0.1422 | 0.9260 | 0.3737 | 0.038* | |
| C11 | 0.29212 (8) | 0.89076 (9) | 0.39608 (6) | 0.0298 (2) | |
| H11 | 0.3026 | 0.9526 | 0.4260 | 0.036* | |
| C12 | 0.37234 (8) | 0.81683 (8) | 0.38334 (5) | 0.0242 (2) | |
| H12 | 0.4373 | 0.8287 | 0.4046 | 0.029* | |
| C13 | 0.65376 (7) | 0.45139 (8) | 0.38061 (5) | 0.0214 (2) | |
| C14 | 0.65376 (7) | 0.44071 (8) | 0.45261 (5) | 0.0240 (2) | |
| H14 | 0.6078 | 0.4848 | 0.4794 | 0.029* | |
| C15 | 0.72009 (8) | 0.36649 (8) | 0.48540 (5) | 0.0278 (2) | |
| H15 | 0.7187 | 0.3597 | 0.5343 | 0.033* | |
| C16 | 0.78805 (9) | 0.30253 (9) | 0.44717 (6) | 0.0311 (2) | |
| H16 | 0.8319 | 0.2503 | 0.4696 | 0.037* | |
| C17 | 0.79200 (9) | 0.31494 (9) | 0.37585 (6) | 0.0318 (2) | |
| H17 | 0.8400 | 0.2727 | 0.3495 | 0.038* | |
| C18 | 0.72593 (8) | 0.38887 (8) | 0.34322 (5) | 0.0269 (2) | |
| H18 | 0.7296 | 0.3974 | 0.2945 | 0.032* | |
| C19 | 0.47766 (8) | 0.58544 (8) | 0.13271 (5) | 0.0245 (2) | |
| H19 | 0.5338 | 0.5284 | 0.1360 | 0.029* | |
| C20 | 0.48463 (8) | 0.66600 (9) | 0.07225 (5) | 0.0268 (2) | |
| H20A | 0.4598 | 0.7434 | 0.0795 | 0.032* | |
| H20B | 0.5447 | 0.6592 | 0.0411 | 0.032* | |
| C21 | 0.40700 (9) | 0.57559 (9) | 0.07072 (5) | 0.0298 (2) | |
| H21A | 0.4188 | 0.5125 | 0.0386 | 0.036* | |
| H21B | 0.3339 | 0.5968 | 0.0769 | 0.036* |