| x | y | z | Uiso*/Ueq | ||
| C1 | 0.25763 (13) | 0.52628 (15) | 0.1825 (3) | 0.0382 (4) | |
| C2 | 0.35926 (13) | 0.45955 (14) | 0.1673 (2) | 0.0337 (4) | |
| C3 | 0.34637 (15) | 0.36098 (15) | 0.0674 (3) | 0.0409 (4) | |
| H3A | 0.2733 | 0.3348 | 0.0082 | 0.049* | |
| C4 | 0.44008 (17) | 0.30055 (16) | 0.0538 (3) | 0.0470 (5) | |
| H4A | 0.4294 | 0.2345 | −0.0142 | 0.056* | |
| C5 | 0.54890 (16) | 0.33750 (16) | 0.1401 (3) | 0.0463 (5) | |
| H5A | 0.6125 | 0.2971 | 0.1332 | 0.056* | |
| C6 | 0.56048 (14) | 0.43670 (15) | 0.2374 (2) | 0.0373 (4) | |
| C7 | 0.46907 (13) | 0.49843 (14) | 0.2524 (2) | 0.0352 (4) | |
| H7A | 0.4804 | 0.5652 | 0.3183 | 0.042* | |
| C8 | 0.05956 (14) | 0.80035 (16) | 0.3479 (3) | 0.0417 (4) | |
| H8 | 0.1048 | 0.8624 | 0.3490 | 0.050* | |
| C9 | 0.00096 (16) | 0.63117 (17) | 0.3339 (3) | 0.0509 (5) | |
| H9 | −0.0009 | 0.5545 | 0.3227 | 0.061* | |
| C10 | −0.08242 (16) | 0.69552 (17) | 0.3607 (3) | 0.0485 (5) | |
| H10 | −0.1528 | 0.6721 | 0.3719 | 0.058* | |
| N1 | 0.67578 (12) | 0.48134 (15) | 0.3229 (2) | 0.0460 (4) | |
| H1 | 0.160 (2) | 0.670 (2) | 0.304 (3) | 0.084 (8)* | |
| H2 | −0.0847 (18) | 0.865 (2) | 0.384 (3) | 0.066 (6)* | |
| N2 | −0.04454 (13) | 0.80152 (14) | 0.3686 (2) | 0.0432 (4) | |
| N3 | 0.08885 (12) | 0.69827 (13) | 0.3259 (2) | 0.0423 (4) | |
| O1 | 0.16009 (9) | 0.48714 (11) | 0.1101 (2) | 0.0507 (4) | |
| O2 | 0.27753 (10) | 0.61707 (11) | 0.2665 (2) | 0.0510 (4) | |
| O3 | 0.68555 (10) | 0.56865 (13) | 0.4101 (2) | 0.0574 (4) | |
| O4 | 0.75732 (11) | 0.42975 (14) | 0.3012 (2) | 0.0721 (5) |