| x | y | z | Uiso*/Ueq | ||
| C1 | 0.55191 (14) | 0.2934 (2) | −0.01273 (10) | 0.0573 (4) | |
| H1 | 0.5107 | 0.2146 | 0.0103 | 0.069* | |
| C2 | 0.52406 (16) | 0.3401 (2) | −0.08830 (10) | 0.0713 (6) | |
| H2 | 0.4617 | 0.2915 | −0.1175 | 0.086* | |
| C3 | 0.58612 (18) | 0.4597 (3) | −0.12416 (10) | 0.0763 (6) | |
| H3 | 0.5632 | 0.4868 | −0.1760 | 0.092* | |
| C4 | 0.67792 (18) | 0.5361 (2) | −0.08543 (9) | 0.0682 (5) | |
| H4 | 0.7186 | 0.6142 | −0.1094 | 0.082* | |
| C5 | 0.70856 (14) | 0.49131 (18) | −0.00695 (8) | 0.0511 (4) | |
| C6 | 0.64717 (12) | 0.37216 (17) | 0.02830 (8) | 0.0454 (4) | |
| C7 | 0.85382 (12) | 0.48491 (19) | 0.18123 (8) | 0.0517 (4) | |
| H7A | 0.9296 | 0.5179 | 0.1701 | 0.062* | |
| H7B | 0.8618 | 0.3840 | 0.2096 | 0.062* | |
| C8 | 0.80584 (12) | 0.61084 (19) | 0.23154 (8) | 0.0480 (4) | |
| N1 | 0.79426 (11) | 0.54651 (15) | 0.04583 (7) | 0.0542 (4) | |
| N2 | 0.78104 (10) | 0.46083 (14) | 0.10872 (7) | 0.0468 (3) | |
| N3 | 0.69527 (10) | 0.35514 (14) | 0.10293 (6) | 0.0457 (3) | |
| O1 | 0.87531 (9) | 0.63393 (16) | 0.29596 (6) | 0.0666 (4) | |
| H1A | 0.8481 | 0.7025 | 0.3227 | 0.100* | |
| O2 | 0.71669 (10) | 0.67914 (16) | 0.21507 (6) | 0.0672 (4) |