| x | y | z | Uiso*/Ueq | ||
| O1 | 0.68341 (16) | 0.20703 (14) | 0.05576 (7) | 0.0943 (8) | |
| O2 | 0.65735 (17) | 0.33467 (14) | 0.05760 (8) | 0.1078 (10) | |
| N1 | 0.51592 (15) | 0.18458 (13) | 0.09406 (6) | 0.0673 (7) | |
| H1 | 0.5364 | 0.1412 | 0.0865 | 0.081* | |
| C1 | 0.2522 (3) | 0.1657 (3) | 0.08110 (13) | 0.1320 (17) | |
| H1A | 0.2131 | 0.1822 | 0.0997 | 0.198* | |
| H1B | 0.2142 | 0.1459 | 0.0628 | 0.198* | |
| H1C | 0.2880 | 0.2087 | 0.0729 | 0.198* | |
| C2 | 0.3186 (2) | 0.1018 (2) | 0.09382 (9) | 0.0941 (11) | |
| H2A | 0.3591 | 0.0869 | 0.0750 | 0.113* | |
| H2B | 0.2819 | 0.0570 | 0.1001 | 0.113* | |
| C3 | 0.3798 (3) | 0.1250 | 0.1250 | 0.0756 (11) | |
| C4 | 0.44025 (19) | 0.19324 (17) | 0.11502 (7) | 0.0704 (8) | |
| C5 | 0.4317 (2) | 0.27091 (19) | 0.12144 (10) | 0.0906 (10) | |
| H5 | 0.3864 | 0.2937 | 0.1352 | 0.109* | |
| C6 | 0.5026 (3) | 0.31011 (19) | 0.10378 (10) | 0.0919 (10) | |
| H6 | 0.5126 | 0.3631 | 0.1036 | 0.110* | |
| C7 | 0.5546 (2) | 0.25550 (17) | 0.08689 (8) | 0.0749 (8) | |
| C8 | 0.6375 (2) | 0.26101 (19) | 0.06550 (9) | 0.0810 (9) | |
| C9 | 0.7383 (3) | 0.3480 (3) | 0.03496 (16) | 0.141 (2) | |
| H9A | 0.7953 | 0.3356 | 0.0471 | 0.169* | |
| H9B | 0.7342 | 0.3149 | 0.0149 | 0.169* | |
| C10 | 0.7401 (4) | 0.4274 (4) | 0.02437 (19) | 0.164 (2) | |
| H10A | 0.7967 | 0.4359 | 0.0113 | 0.197* | |
| H10B | 0.7440 | 0.4592 | 0.0448 | 0.197* | |
| C11 | 0.6604 (5) | 0.4549 (4) | 0.0035 (2) | 0.193 (3) | |
| H11A | 0.6551 | 0.4210 | −0.0162 | 0.232* | |
| H11B | 0.6045 | 0.4478 | 0.0172 | 0.232* | |
| C12 | 0.6597 (7) | 0.5314 (4) | −0.0088 (2) | 0.211 (4) | |
| H12A | 0.6611 | 0.5666 | 0.0102 | 0.316* | |
| H12B | 0.6042 | 0.5399 | −0.0221 | 0.316* | |
| H12C | 0.7133 | 0.5398 | −0.0231 | 0.316* |