| x | y | z | Uiso*/Ueq | ||
| N1 | 0.77236 (15) | 0.2945 (2) | 0.94157 (13) | 0.0511 (5) | |
| H1 | 0.7596 | 0.2454 | 0.8868 | 0.061* | |
| O1 | 0.99795 (14) | 0.5570 (2) | 1.25378 (11) | 0.0745 (6) | |
| H1A | 1.0238 | 0.6014 | 1.3062 | 0.112* | |
| O2 | 1.19133 (13) | 0.45300 (19) | 1.28827 (10) | 0.0592 (5) | |
| O3 | 0.62455 (14) | 0.2734 (2) | 1.04292 (10) | 0.0614 (5) | |
| O4 | 0.44272 (16) | 0.1671 (2) | 1.06184 (12) | 0.0788 (6) | |
| C1 | 1.0886 (2) | 0.4649 (3) | 1.23355 (15) | 0.0469 (6) | |
| C2 | 1.05166 (19) | 0.3785 (3) | 1.14008 (14) | 0.0407 (5) | |
| C3 | 0.92786 (18) | 0.3817 (3) | 1.08532 (15) | 0.0425 (5) | |
| H3 | 0.8673 | 0.4427 | 1.1063 | 0.051* | |
| C4 | 0.89469 (18) | 0.2949 (3) | 1.00014 (15) | 0.0402 (6) | |
| C5 | 0.9866 (2) | 0.2051 (3) | 0.96999 (16) | 0.0494 (6) | |
| H5 | 0.9656 | 0.1478 | 0.9121 | 0.059* | |
| C6 | 1.1080 (2) | 0.2000 (3) | 1.02457 (17) | 0.0522 (6) | |
| H6 | 1.1682 | 0.1378 | 1.0039 | 0.063* | |
| C7 | 1.1418 (2) | 0.2860 (3) | 1.10972 (17) | 0.0491 (6) | |
| H7 | 1.2243 | 0.2821 | 1.1465 | 0.059* | |
| C8 | 0.5015 (2) | 0.2389 (3) | 1.01183 (17) | 0.0555 (7) | |
| C9 | 0.67070 (19) | 0.3691 (3) | 0.96714 (15) | 0.0478 (6) | |
| H9 | 0.6952 | 0.4794 | 0.9916 | 0.057* | |
| C10 | 0.55418 (18) | 0.3801 (3) | 0.88699 (15) | 0.0422 (6) | |
| C11 | 0.45572 (18) | 0.3033 (3) | 0.91465 (15) | 0.0436 (6) | |
| C12 | 0.3365 (2) | 0.2979 (3) | 0.85393 (16) | 0.0558 (7) | |
| H12 | 0.2700 | 0.2468 | 0.8729 | 0.067* | |
| C13 | 0.3193 (2) | 0.3700 (3) | 0.76518 (16) | 0.0592 (7) | |
| H13 | 0.2400 | 0.3681 | 0.7232 | 0.071* | |
| C14 | 0.4181 (2) | 0.4451 (3) | 0.73746 (16) | 0.0590 (7) | |
| H14 | 0.4042 | 0.4926 | 0.6766 | 0.071* | |
| C15 | 0.53674 (19) | 0.4520 (3) | 0.79711 (16) | 0.0514 (6) | |
| H15 | 0.6029 | 0.5032 | 0.7777 | 0.062* |