| x | y | z | Uiso*/Ueq | ||
| O1 | 1.23676 (10) | 1.1637 (3) | 0.78082 (11) | 0.0647 (4) | |
| H1A | 1.262 (2) | 1.285 (6) | 0.7532 (18) | 0.115 (11)* | |
| C1 | 1.00323 (13) | 0.7254 (3) | 0.89293 (11) | 0.0435 (4) | |
| H1 | 0.9915 | 0.6531 | 0.9465 | 0.052* | |
| C2 | 1.06557 (13) | 0.9145 (3) | 0.89012 (11) | 0.0449 (4) | |
| H2 | 1.0966 | 0.9690 | 0.9433 | 0.054* | |
| C3 | 1.08440 (12) | 1.0289 (3) | 0.81060 (11) | 0.0416 (4) | |
| C4 | 1.03968 (12) | 0.9504 (3) | 0.72954 (11) | 0.0379 (4) | |
| C4A | 0.97556 (12) | 0.7560 (3) | 0.73093 (10) | 0.0361 (4) | |
| C5 | 0.90173 (14) | 0.6439 (4) | 0.56991 (11) | 0.0503 (5) | |
| H5 | 0.9309 | 0.7656 | 0.5396 | 0.060* | |
| C5A | 0.91717 (12) | 0.6257 (3) | 0.66236 (10) | 0.0377 (4) | |
| C6 | 0.84282 (16) | 0.4795 (4) | 0.52398 (13) | 0.0604 (6) | |
| H6 | 0.8332 | 0.4883 | 0.4622 | 0.072* | |
| C7 | 0.79780 (15) | 0.3012 (4) | 0.56927 (13) | 0.0612 (6) | |
| H7 | 0.7582 | 0.1924 | 0.5370 | 0.073* | |
| C8 | 0.80997 (14) | 0.2801 (3) | 0.66092 (13) | 0.0510 (5) | |
| H8 | 0.7793 | 0.1603 | 0.6908 | 0.061* | |
| C8A | 0.86991 (12) | 0.4451 (3) | 0.70644 (11) | 0.0381 (4) | |
| N9 | 0.89428 (10) | 0.4597 (3) | 0.79697 (9) | 0.0404 (4) | |
| C9A | 0.95842 (12) | 0.6465 (3) | 0.81262 (10) | 0.0368 (4) | |
| C10 | 0.86281 (14) | 0.2951 (3) | 0.86346 (12) | 0.0506 (5) | |
| H10B | 0.9017 | 0.1524 | 0.8682 | 0.076* | |
| H10A | 0.7999 | 0.2470 | 0.8462 | 0.076* | |
| H10C | 0.8660 | 0.3772 | 0.9199 | 0.076* | |
| C11 | 1.05756 (14) | 1.0659 (3) | 0.64152 (11) | 0.0507 (5) | |
| H11B | 1.0828 | 0.9451 | 0.6043 | 0.076* | |
| H11C | 1.1009 | 1.1984 | 0.6519 | 0.076* | |
| H11A | 1.0003 | 1.1273 | 0.6125 | 0.076* | |
| C12 | 1.15214 (14) | 1.2370 (3) | 0.81458 (13) | 0.0532 (5) | |
| H12A | 1.1254 | 1.3734 | 0.7798 | 0.064* | |
| H12B | 1.1648 | 1.2913 | 0.8757 | 0.064* |