| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| N1 | 0.7665 (5) | 0.07883 (13) | 0.2794 (9) | 0.0424 (10) | |
| O1 | 0.6235 (4) | 0.06405 (11) | 0.0997 (8) | 0.0497 (10) | |
| O2 | 1.0675 (4) | 0.06514 (11) | 0.5410 (10) | 0.0613 (12) | |
| H2 | 0.9857 | 0.0579 | 0.4284 | 0.092* | |
| C1 | 0.6621 (6) | 0.01443 (16) | −0.0329 (12) | 0.0447 (13) | |
| H1A | 0.6845 | −0.0120 | 0.1148 | 0.054* | |
| H1B | 0.7671 | 0.0171 | −0.1564 | 0.054* | |
| C2 | 0.5000 | 0.0000 | −0.2107 (16) | 0.0479 (18) | |
| H2A | 0.5305 | −0.0294 | −0.3353 | 0.058* | 0.50 |
| H2B | 0.4695 | 0.0294 | −0.3353 | 0.058* | 0.50 |
| C3 | 0.5696 (7) | 0.15361 (18) | 0.3585 (17) | 0.0660 (17) | |
| H3A | 0.5088 | 0.1406 | 0.1891 | 0.099* | |
| H3B | 0.5989 | 0.1900 | 0.3308 | 0.099* | |
| H3C | 0.4931 | 0.1500 | 0.5254 | 0.099* | |
| C4 | 0.7390 (6) | 0.12265 (17) | 0.4060 (10) | 0.0406 (12) | |
| C5 | 0.8802 (6) | 0.14197 (16) | 0.5999 (11) | 0.0380 (11) | |
| C6 | 1.0350 (6) | 0.11254 (15) | 0.6663 (11) | 0.0396 (12) | |
| C7 | 1.1585 (6) | 0.1310 (2) | 0.8622 (13) | 0.0540 (15) | |
| H7 | 1.2586 | 0.1107 | 0.9065 | 0.065* | |
| C8 | 1.1363 (6) | 0.1787 (2) | 0.9934 (16) | 0.0582 (15) | |
| H8 | 1.2207 | 0.1908 | 1.1263 | 0.070* | |
| C9 | 0.9884 (8) | 0.2086 (2) | 0.9277 (16) | 0.0649 (18) | |
| H9 | 0.9733 | 0.2414 | 1.0135 | 0.078* | |
| C10 | 0.8645 (7) | 0.19013 (18) | 0.7369 (13) | 0.0521 (15) | |
| H10 | 0.7646 | 0.2108 | 0.6966 | 0.063* |