| x | y | z | Uiso*/Ueq | ||
| O1 | 0.26958 (5) | 0.42158 (10) | 0.20400 (5) | 0.02533 (15) | |
| N1 | −0.10640 (5) | 0.34279 (10) | 0.40740 (6) | 0.01934 (14) | |
| C1 | 0.43352 (6) | 0.31796 (11) | 0.49440 (7) | 0.01861 (15) | |
| H1 | 0.3933 | 0.3765 | 0.5308 | 0.022* | |
| C2 | 0.53797 (7) | 0.25436 (12) | 0.55889 (7) | 0.02153 (16) | |
| H2 | 0.5677 | 0.2714 | 0.6382 | 0.026* | |
| C3 | 0.59761 (7) | 0.16567 (12) | 0.50493 (8) | 0.02318 (17) | |
| H3 | 0.6668 | 0.1215 | 0.5484 | 0.028* | |
| C4 | 0.55457 (7) | 0.14235 (12) | 0.38612 (8) | 0.02373 (17) | |
| H4 | 0.5948 | 0.0833 | 0.3500 | 0.028* | |
| C5 | 0.45115 (7) | 0.20786 (11) | 0.32186 (7) | 0.02078 (16) | |
| H5 | 0.4228 | 0.1942 | 0.2423 | 0.025* | |
| C6 | 0.38907 (6) | 0.29412 (10) | 0.37532 (7) | 0.01685 (14) | |
| C7 | 0.27935 (6) | 0.36465 (10) | 0.29960 (7) | 0.01733 (14) | |
| C8 | 0.18415 (6) | 0.36068 (10) | 0.33575 (6) | 0.01575 (14) | |
| C9 | 0.08856 (6) | 0.44970 (10) | 0.26790 (7) | 0.01806 (15) | |
| H9 | 0.0897 | 0.5141 | 0.2055 | 0.022* | |
| C10 | −0.00688 (6) | 0.44473 (11) | 0.29074 (7) | 0.01847 (15) | |
| H10 | −0.0687 | 0.5052 | 0.2436 | 0.022* | |
| C11 | −0.01199 (6) | 0.34866 (10) | 0.38509 (6) | 0.01540 (14) | |
| C12 | 0.08462 (6) | 0.25969 (10) | 0.45427 (6) | 0.01625 (14) | |
| H12 | 0.0843 | 0.1963 | 0.5174 | 0.019* | |
| C13 | 0.17938 (6) | 0.26547 (10) | 0.42967 (6) | 0.01610 (14) | |
| H13 | 0.2414 | 0.2051 | 0.4763 | 0.019* | |
| C14 | −0.11461 (7) | 0.24089 (12) | 0.50120 (7) | 0.02242 (16) | |
| H14A | −0.0465 | 0.2479 | 0.5664 | 0.034* | |
| H14B | −0.1292 | 0.1227 | 0.4773 | 0.034* | |
| H14C | −0.1735 | 0.2846 | 0.5220 | 0.034* | |
| C15 | −0.20773 (7) | 0.41652 (14) | 0.32699 (8) | 0.02666 (19) | |
| H15A | −0.1986 | 0.5387 | 0.3213 | 0.040* | |
| H15B | −0.2666 | 0.3950 | 0.3538 | 0.040* | |
| H15C | −0.2250 | 0.3646 | 0.2526 | 0.040* |