| x | y | z | Uiso*/Ueq | ||
| C1 | 0.70679 (12) | 0.5276 (2) | 0.6731 (2) | 0.0525 (4) | |
| H1B | 0.6513 | 0.5582 | 0.5941 | 0.063* | |
| C2 | 0.68976 (19) | 0.5848 (2) | 0.8073 (3) | 0.0830 (7) | |
| H2A | 0.7434 | 0.5574 | 0.8868 | 0.125* | |
| H2B | 0.6336 | 0.5342 | 0.8178 | 0.125* | |
| H2C | 0.6813 | 0.6995 | 0.8034 | 0.125* | |
| C3 | 0.79173 (16) | 0.6067 (3) | 0.6497 (3) | 0.0802 (7) | |
| H3A | 0.7812 | 0.7207 | 0.6396 | 0.120* | |
| H3B | 0.8021 | 0.5645 | 0.5650 | 0.120* | |
| H3C | 0.8466 | 0.5858 | 0.7294 | 0.120* | |
| C4 | 0.61524 (11) | 0.22776 (19) | 0.69367 (17) | 0.0418 (4) | |
| H4 | 0.6119 | 0.2607 | 0.7874 | 0.050* | |
| C5 | 0.52745 (12) | 0.2872 (3) | 0.5848 (2) | 0.0653 (6) | |
| H5A | 0.5320 | 0.2652 | 0.4915 | 0.098* | |
| H5B | 0.5213 | 0.4010 | 0.5960 | 0.098* | |
| H5C | 0.4727 | 0.2333 | 0.5971 | 0.098* | |
| C6 | 0.62213 (15) | 0.0496 (2) | 0.6924 (2) | 0.0692 (6) | |
| H6A | 0.5651 | 0.0034 | 0.7039 | 0.104* | |
| H6B | 0.6759 | 0.0151 | 0.7689 | 0.104* | |
| H6C | 0.6298 | 0.0150 | 0.6037 | 0.104* | |
| C7 | 0.89734 (10) | 0.2189 (2) | 0.79953 (16) | 0.0427 (4) | |
| H7 | 0.9106 | 0.2800 | 0.7226 | 0.051* | |
| C8 | 0.96785 (13) | 0.2667 (3) | 0.9330 (2) | 0.0733 (6) | |
| H8A | 0.9625 | 0.3801 | 0.9478 | 0.110* | |
| H8B | 1.0306 | 0.2429 | 0.9282 | 0.110* | |
| H8C | 0.9566 | 0.2083 | 1.0104 | 0.110* | |
| C9 | 0.90379 (17) | 0.0463 (3) | 0.7687 (3) | 0.0834 (7) | |
| H9A | 0.8915 | −0.0166 | 0.8429 | 0.125* | |
| H9B | 0.9664 | 0.0226 | 0.7633 | 0.125* | |
| H9C | 0.8576 | 0.0206 | 0.6797 | 0.125* | |
| N1 | 0.80376 (9) | 0.26201 (16) | 0.80317 (13) | 0.0398 (3) | |
| H1A | 0.7925 | 0.2590 | 0.8840 | 0.048* | |
| O1 | 0.73426 (8) | 0.26804 (15) | 0.53446 (11) | 0.0531 (3) | |
| P1 | 0.71920 (3) | 0.31507 (5) | 0.66763 (4) | 0.03470 (12) |