| x | y | z | Uiso*/Ueq | ||
| N1 | 0.1744 (2) | 0.09152 (8) | 0.62991 (8) | 0.0427 (5) | |
| C1 | 0.6103 (3) | 0.28645 (12) | 0.57631 (12) | 0.0604 (7) | |
| H1A | 0.6752 | 0.3217 | 0.5569 | 0.073* | |
| N2 | −0.1771 (2) | 0.03706 (8) | 0.61285 (8) | 0.0432 (5) | |
| C2 | 0.5050 (3) | 0.24229 (12) | 0.54133 (10) | 0.0533 (6) | |
| H2A | 0.4989 | 0.2477 | 0.4981 | 0.064* | |
| C3 | 0.4087 (3) | 0.19002 (11) | 0.57034 (10) | 0.0449 (6) | |
| H3A | 0.3382 | 0.1604 | 0.5463 | 0.054* | |
| C4 | 0.4150 (3) | 0.18090 (10) | 0.63433 (10) | 0.0413 (5) | |
| C5 | 0.5204 (3) | 0.22622 (11) | 0.66895 (11) | 0.0542 (6) | |
| H5A | 0.5252 | 0.2218 | 0.7123 | 0.065* | |
| C6 | 0.6185 (3) | 0.27799 (12) | 0.63953 (13) | 0.0634 (7) | |
| H6A | 0.6908 | 0.3073 | 0.6632 | 0.076* | |
| C7 | 0.3183 (3) | 0.12199 (11) | 0.66679 (10) | 0.0504 (6) | |
| H7A | 0.4034 | 0.0855 | 0.6769 | 0.061* | |
| H7B | 0.2696 | 0.1393 | 0.7059 | 0.061* | |
| C8 | 0.0184 (3) | 0.13693 (10) | 0.62714 (10) | 0.0474 (6) | |
| H8A | 0.0520 | 0.1819 | 0.6098 | 0.057* | |
| H8B | −0.0268 | 0.1446 | 0.6691 | 0.057* | |
| C9 | −0.1255 (3) | 0.10464 (10) | 0.58725 (10) | 0.0480 (6) | |
| H9A | −0.2282 | 0.1354 | 0.5860 | 0.058* | |
| H9B | −0.0824 | 0.0987 | 0.5448 | 0.058* | |
| C10 | −0.0218 (3) | −0.00859 (10) | 0.61446 (10) | 0.0483 (6) | |
| H10A | 0.0230 | −0.0154 | 0.5723 | 0.058* | |
| H10B | −0.0551 | −0.0539 | 0.6313 | 0.058* | |
| C11 | 0.1210 (3) | 0.02366 (10) | 0.65474 (10) | 0.0478 (6) | |
| H11A | 0.0768 | 0.0293 | 0.6971 | 0.057* | |
| H11B | 0.2235 | −0.0072 | 0.6562 | 0.057* | |
| C12 | −0.3259 (3) | 0.00581 (11) | 0.57907 (10) | 0.0497 (6) | |
| H12A | −0.2825 | −0.0132 | 0.5399 | 0.060* | |
| H12B | −0.4116 | 0.0421 | 0.5692 | 0.060* | |
| C13 | −0.4189 (3) | −0.05156 (10) | 0.61511 (9) | 0.0396 (5) | |
| C14 | −0.5306 (3) | −0.09799 (11) | 0.58415 (10) | 0.0494 (6) | |
| H14A | −0.5413 | −0.0954 | 0.5408 | 0.059* | |
| C15 | −0.6260 (3) | −0.14791 (12) | 0.61664 (12) | 0.0569 (6) | |
| H15A | −0.7012 | −0.1782 | 0.5952 | 0.068* | |
| C16 | −0.6102 (3) | −0.15299 (11) | 0.68032 (12) | 0.0555 (6) | |
| H16A | −0.6745 | −0.1866 | 0.7022 | 0.067* | |
| C17 | −0.4989 (3) | −0.10828 (11) | 0.71169 (10) | 0.0505 (6) | |
| H17A | −0.4870 | −0.1119 | 0.7549 | 0.061* | |
| C18 | −0.4041 (3) | −0.05765 (11) | 0.67923 (10) | 0.0440 (6) | |
| H18A | −0.3295 | −0.0274 | 0.7010 | 0.053* |