| x | y | z | Uiso*/Ueq | ||
| N1 | 0.30258 (17) | 0.43671 (10) | 0.60520 (10) | 0.0541 (4) | |
| O1 | 1.00894 (17) | 0.82396 (12) | 0.67889 (10) | 0.0940 (6) | |
| C1 | 0.92274 (19) | 0.86663 (11) | 0.48174 (11) | 0.0484 (4) | |
| C2 | 1.0196 (2) | 0.79632 (13) | 0.46961 (14) | 0.0628 (5) | |
| H2A | 1.0445 | 0.7544 | 0.5119 | 0.075* | |
| C3 | 1.0762 (2) | 0.78928 (16) | 0.39769 (16) | 0.0734 (6) | |
| H3A | 1.1383 | 0.7423 | 0.3909 | 0.088* | |
| C4 | 1.0418 (3) | 0.85254 (18) | 0.33286 (14) | 0.0760 (7) | |
| H4A | 1.0812 | 0.8469 | 0.2836 | 0.091* | |
| C5 | 0.9521 (2) | 0.92119 (15) | 0.34183 (12) | 0.0661 (6) | |
| H5A | 0.9315 | 0.9629 | 0.2989 | 0.079* | |
| C6 | 0.8883 (2) | 0.93085 (12) | 0.41595 (11) | 0.0509 (4) | |
| C7 | 0.7968 (2) | 1.00127 (12) | 0.42694 (11) | 0.0527 (5) | |
| H7A | 0.7763 | 1.0435 | 0.3845 | 0.063* | |
| C8 | 0.73470 (19) | 1.01073 (11) | 0.49924 (11) | 0.0476 (4) | |
| C9 | 0.6398 (2) | 1.08243 (12) | 0.51020 (13) | 0.0578 (5) | |
| H9A | 0.6192 | 1.1250 | 0.4680 | 0.069* | |
| C10 | 0.5788 (2) | 1.09027 (14) | 0.58016 (14) | 0.0659 (5) | |
| H10A | 0.5173 | 1.1379 | 0.5859 | 0.079* | |
| C11 | 0.6082 (2) | 1.02632 (15) | 0.64463 (13) | 0.0664 (5) | |
| H11A | 0.5654 | 1.0320 | 0.6927 | 0.080* | |
| C12 | 0.6979 (2) | 0.95678 (14) | 0.63762 (12) | 0.0578 (5) | |
| H12A | 0.7153 | 0.9151 | 0.6808 | 0.069* | |
| C13 | 0.76632 (18) | 0.94624 (11) | 0.56498 (10) | 0.0464 (4) | |
| C14 | 0.86110 (18) | 0.87608 (11) | 0.55531 (10) | 0.0474 (4) | |
| C15 | 0.9024 (2) | 0.81029 (13) | 0.62560 (12) | 0.0572 (5) | |
| C16 | 0.8125 (2) | 0.73143 (12) | 0.62919 (12) | 0.0567 (5) | |
| H16A | 0.8441 | 0.6888 | 0.6699 | 0.068* | |
| C17 | 0.6880 (2) | 0.71662 (11) | 0.57782 (11) | 0.0511 (4) | |
| H17A | 0.6618 | 0.7581 | 0.5352 | 0.061* | |
| C18 | 0.5880 (2) | 0.64229 (11) | 0.58115 (11) | 0.0484 (4) | |
| C19 | 0.6285 (2) | 0.56538 (11) | 0.62652 (11) | 0.0494 (4) | |
| H19A | 0.7240 | 0.5585 | 0.6536 | 0.059* | |
| C20 | 0.52804 (19) | 0.49902 (11) | 0.63166 (10) | 0.0458 (4) | |
| C21 | 0.5346 (2) | 0.41144 (11) | 0.67115 (11) | 0.0496 (4) | |
| C22 | 0.6445 (2) | 0.36261 (13) | 0.71850 (12) | 0.0609 (5) | |
| H22A | 0.7386 | 0.3852 | 0.7306 | 0.073* | |
| C23 | 0.6120 (3) | 0.28028 (14) | 0.74725 (14) | 0.0720 (6) | |
| H23A | 0.6849 | 0.2471 | 0.7796 | 0.086* | |
| C24 | 0.4721 (3) | 0.24555 (14) | 0.72885 (14) | 0.0764 (7) | |
| H24A | 0.4536 | 0.1894 | 0.7491 | 0.092* | |
| C25 | 0.3595 (3) | 0.29223 (13) | 0.68122 (13) | 0.0644 (5) | |
| H25A | 0.2661 | 0.2686 | 0.6686 | 0.077* | |
| C26 | 0.3929 (2) | 0.37631 (11) | 0.65312 (11) | 0.0504 (4) | |
| C27 | 0.38240 (19) | 0.51092 (11) | 0.59169 (11) | 0.0481 (4) | |
| C28 | 0.3391 (2) | 0.58737 (12) | 0.54582 (12) | 0.0565 (5) | |
| H28A | 0.2431 | 0.5951 | 0.5199 | 0.068* | |
| C29 | 0.4432 (2) | 0.65129 (12) | 0.54014 (11) | 0.0555 (5) | |
| H29A | 0.4170 | 0.7020 | 0.5082 | 0.067* | |
| C30 | 0.1472 (2) | 0.42573 (14) | 0.57684 (13) | 0.0654 (5) | |
| H30A | 0.1256 | 0.3628 | 0.5693 | 0.079* | |
| H30B | 0.1209 | 0.4546 | 0.5227 | 0.079* | |
| C31 | 0.0561 (3) | 0.4638 (2) | 0.63703 (16) | 0.0956 (8) | |
| H31A | −0.0451 | 0.4547 | 0.6153 | 0.143* | |
| H31B | 0.0799 | 0.4345 | 0.6905 | 0.143* | |
| H31C | 0.0752 | 0.5264 | 0.6439 | 0.143* |