| x | y | z | Uiso*/Ueq | ||
| N1 | 0.18007 (8) | 0.2543 (3) | 0.60235 (9) | 0.0389 (6) | |
| N2 | 0.07900 (7) | 0.1687 (4) | 0.51326 (9) | 0.0367 (6) | |
| N3 | 0.16321 (7) | −0.1321 (4) | 0.47432 (9) | 0.0382 (6) | |
| O1 | 0.16324 (7) | 0.3113 (3) | 0.67977 (7) | 0.0496 (5) | |
| O2 | 0.21149 (7) | 0.5507 (3) | 0.65653 (8) | 0.0554 (6) | |
| O3 | 0.07112 (6) | 0.1423 (3) | 0.42229 (7) | 0.0525 (6) | |
| O4 | 0.01093 (7) | 0.3134 (3) | 0.44214 (8) | 0.0607 (6) | |
| O5 | 0.19807 (6) | −0.0836 (3) | 0.44880 (7) | 0.0452 (5) | |
| C1 | 0.15544 (9) | 0.0442 (4) | 0.59370 (10) | 0.0374 (7) | |
| H1A | 0.1361 | 0.0344 | 0.6175 | 0.045* | |
| H1B | 0.1809 | −0.0681 | 0.6057 | 0.045* | |
| C2 | 0.12010 (9) | 0.0043 (4) | 0.53070 (10) | 0.0335 (6) | |
| C3 | 0.15423 (9) | 0.0354 (4) | 0.49846 (10) | 0.0325 (6) | |
| C4 | 0.17891 (10) | 0.2510 (4) | 0.50509 (11) | 0.0387 (7) | |
| H4A | 0.1536 | 0.3625 | 0.4899 | 0.046* | |
| H4B | 0.2006 | 0.2542 | 0.4839 | 0.046* | |
| C5 | 0.20975 (10) | 0.2938 (5) | 0.56825 (11) | 0.0459 (8) | |
| H5A | 0.2390 | 0.2005 | 0.5813 | 0.055* | |
| H5B | 0.2213 | 0.4425 | 0.5732 | 0.055* | |
| C6 | 0.18713 (10) | 0.3856 (5) | 0.64739 (11) | 0.0399 (7) | |
| C7 | 0.15940 (11) | 0.4430 (5) | 0.72637 (12) | 0.0495 (8) | |
| C8 | 0.21026 (13) | 0.4764 (6) | 0.77309 (13) | 0.0738 (11) | |
| H8A | 0.2261 | 0.3388 | 0.7856 | 0.111* | |
| H8B | 0.2066 | 0.5494 | 0.8046 | 0.111* | |
| H8C | 0.2306 | 0.5623 | 0.7589 | 0.111* | |
| C9 | 0.13357 (14) | 0.6544 (6) | 0.70277 (15) | 0.0871 (13) | |
| H9A | 0.1561 | 0.7461 | 0.6934 | 0.131* | |
| H9B | 0.1241 | 0.7241 | 0.7309 | 0.131* | |
| H9C | 0.1041 | 0.6272 | 0.6690 | 0.131* | |
| C10 | 0.12728 (14) | 0.3024 (6) | 0.74676 (14) | 0.0903 (13) | |
| H10A | 0.0957 | 0.2762 | 0.7158 | 0.135* | |
| H10B | 0.1216 | 0.3738 | 0.7773 | 0.135* | |
| H10C | 0.1441 | 0.1674 | 0.7603 | 0.135* | |
| C11 | 0.09808 (10) | −0.2224 (4) | 0.52538 (12) | 0.0432 (7) | |
| H11A | 0.0769 | −0.2306 | 0.5466 | 0.065* | |
| H11B | 0.1248 | −0.3256 | 0.5403 | 0.065* | |
| H11C | 0.0786 | −0.2537 | 0.4859 | 0.065* | |
| C12 | 0.05026 (10) | 0.2153 (5) | 0.45784 (12) | 0.0417 (7) | |
| C13 | 0.05602 (10) | 0.2229 (5) | 0.55381 (11) | 0.0492 (8) | |
| H13A | 0.0295 | 0.3257 | 0.5367 | 0.074* | |
| H13B | 0.0810 | 0.2841 | 0.5877 | 0.074* | |
| H13C | 0.0425 | 0.0944 | 0.5636 | 0.074* | |
| C14 | 0.04913 (11) | 0.1885 (6) | 0.36115 (12) | 0.0584 (9) | |
| C15 | 0.04440 (16) | 0.4286 (7) | 0.35091 (17) | 0.1048 (14) | |
| H15A | 0.0185 | 0.4844 | 0.3620 | 0.157* | |
| H15B | 0.0360 | 0.4573 | 0.3111 | 0.157* | |
| H15C | 0.0757 | 0.4972 | 0.3731 | 0.157* | |
| C17 | 0.08735 (13) | 0.0915 (7) | 0.34093 (13) | 0.0907 (13) | |
| H17A | 0.1198 | 0.1530 | 0.3622 | 0.136* | |
| H17B | 0.0779 | 0.1217 | 0.3010 | 0.136* | |
| H17C | 0.0887 | −0.0621 | 0.3467 | 0.136* | |
| C16 | −0.00059 (12) | 0.0715 (7) | 0.33491 (14) | 0.0906 (13) | |
| H16A | 0.0039 | −0.0778 | 0.3460 | 0.136* | |
| H16B | −0.0129 | 0.0822 | 0.2940 | 0.136* | |
| H16C | −0.0244 | 0.1360 | 0.3481 | 0.136* | |
| C18 | 0.20473 (11) | −0.2741 (5) | 0.42114 (13) | 0.0557 (9) | |
| H18A | 0.2217 | −0.3815 | 0.4493 | 0.083* | |
| H18B | 0.2245 | −0.2411 | 0.3992 | 0.083* | |
| H18C | 0.1725 | −0.3283 | 0.3962 | 0.083* |