| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| F1 | 0.86852 (8) | 0.91451 (8) | 0.42397 (7) | 0.0336 (2) | 0.96 |
| C2 | 0.80192 (13) | 0.81276 (12) | 0.46507 (11) | 0.0243 (3) | 0.96 |
| C2A | 0.80192 (13) | 0.81276 (12) | 0.46507 (11) | 0.0243 (3) | 0.04 |
| H2A | 0.8481 | 0.8820 | 0.4373 | 0.029* | 0.04 |
| C3 | 0.67564 (13) | 0.83201 (12) | 0.50485 (11) | 0.0220 (3) | |
| H3 | 0.6362 (14) | 0.9146 (14) | 0.5003 (11) | 0.024 (4)* | |
| C4 | 0.60718 (12) | 0.72721 (12) | 0.54569 (10) | 0.0203 (3) | |
| C5 | 0.66565 (13) | 0.60822 (12) | 0.54596 (10) | 0.0229 (3) | |
| H5 | 0.6176 (15) | 0.5344 (14) | 0.5736 (12) | 0.029 (4)* | |
| C6 | 0.79390 (13) | 0.59376 (13) | 0.50555 (11) | 0.0251 (3) | 0.96 |
| H6 | 0.8334 | 0.5142 | 0.5063 | 0.030* | 0.96 |
| C6A | 0.79390 (13) | 0.59376 (13) | 0.50555 (11) | 0.0251 (3) | 0.04 |
| F1A | 0.8666 (19) | 0.4867 (15) | 0.5104 (17) | 0.033 (4)* | 0.04 |
| C7 | 0.86291 (14) | 0.69651 (13) | 0.46440 (11) | 0.0256 (3) | |
| H7 | 0.9528 (16) | 0.6854 (14) | 0.4351 (12) | 0.027 (4)* | |
| C8 | 0.46965 (13) | 0.74749 (11) | 0.58875 (10) | 0.0211 (3) | |
| O9 | 0.41636 (10) | 0.64448 (9) | 0.63191 (8) | 0.0299 (2) | |
| H9 | 0.325 (2) | 0.6594 (19) | 0.6527 (17) | 0.068 (6)* | |
| O10 | 0.41357 (9) | 0.84903 (9) | 0.58340 (8) | 0.0287 (2) | |
| N11 | 0.16961 (11) | 0.68081 (10) | 0.69676 (9) | 0.0235 (3) | |
| C12 | 0.09586 (13) | 0.58338 (13) | 0.73125 (11) | 0.0235 (3) | |
| H12 | 0.1365 (15) | 0.4988 (14) | 0.7270 (11) | 0.026 (4)* | |
| C13 | 0.11730 (14) | 0.79700 (13) | 0.70272 (11) | 0.0254 (3) | |
| H13 | 0.1748 (15) | 0.8649 (15) | 0.6758 (12) | 0.030 (4)* | |
| C14 | −0.00901 (13) | 0.81965 (13) | 0.74237 (11) | 0.0240 (3) | |
| H14 | −0.0396 (15) | 0.9059 (16) | 0.7441 (13) | 0.033 (4)* | |
| C15 | −0.03229 (13) | 0.59762 (12) | 0.77072 (10) | 0.0213 (3) | |
| H15 | −0.0813 (14) | 0.5233 (14) | 0.7917 (12) | 0.026 (4)* | |
| C16 | −0.08659 (12) | 0.71782 (12) | 0.77594 (10) | 0.0208 (3) | |
| C17 | −0.22611 (13) | 0.74106 (12) | 0.81607 (10) | 0.0222 (3) | |
| O18 | −0.26975 (10) | 0.84818 (9) | 0.81733 (9) | 0.0327 (3) | |
| C19 | −0.30654 (14) | 0.63097 (14) | 0.85455 (13) | 0.0282 (3) | |
| H19A | −0.399 (2) | 0.6527 (17) | 0.8522 (15) | 0.049 (5)* | |
| H19B | −0.2946 (17) | 0.5564 (17) | 0.8057 (14) | 0.045 (5)* | |
| H19C | −0.2765 (17) | 0.6106 (17) | 0.9328 (15) | 0.050 (5)* |