| x | y | z | Uiso*/Ueq | ||
| C1 | 0.08797 (12) | 0.6902 (4) | −0.0316 (2) | 0.0579 (9) | |
| C2 | 0.10417 (14) | 0.8419 (5) | −0.0350 (2) | 0.0746 (11) | |
| H2 | 0.1166 | 0.8883 | 0.0088 | 0.090* | |
| C3 | 0.10180 (15) | 0.9206 (5) | −0.1017 (3) | 0.0846 (13) | |
| H3 | 0.1125 | 1.0202 | −0.1031 | 0.102* | |
| C4 | 0.08311 (15) | 0.8515 (6) | −0.1688 (3) | 0.0839 (13) | |
| H4 | 0.0813 | 0.9066 | −0.2140 | 0.101* | |
| C5 | 0.06791 (14) | 0.7066 (5) | −0.1681 (2) | 0.0741 (11) | |
| H5 | 0.0563 | 0.6625 | −0.2130 | 0.089* | |
| C6 | 0.06934 (11) | 0.6201 (5) | −0.0995 (2) | 0.0581 (9) | |
| C7 | 0.05310 (11) | 0.4738 (4) | −0.09624 (19) | 0.0551 (9) | |
| H7 | 0.0409 | 0.4271 | −0.1401 | 0.066* | |
| C8 | 0.05470 (11) | 0.3952 (4) | −0.0281 (2) | 0.0571 (9) | |
| C9 | 0.03850 (13) | 0.2431 (5) | −0.0214 (2) | 0.0703 (11) | |
| H9 | 0.0268 | 0.1922 | −0.0644 | 0.084* | |
| C10 | 0.03996 (14) | 0.1718 (5) | 0.0472 (3) | 0.0789 (12) | |
| H10 | 0.0293 | 0.0724 | 0.0507 | 0.095* | |
| C11 | 0.05760 (14) | 0.2473 (6) | 0.1135 (2) | 0.0798 (12) | |
| H11 | 0.0583 | 0.1969 | 0.1601 | 0.096* | |
| C12 | 0.07325 (13) | 0.3910 (5) | 0.1097 (2) | 0.0689 (11) | |
| H12 | 0.0843 | 0.4392 | 0.1538 | 0.083* | |
| C13 | 0.07305 (11) | 0.4701 (4) | 0.0390 (2) | 0.0578 (9) | |
| C14 | 0.19756 (12) | 0.7990 (4) | 0.28030 (18) | 0.0503 (8) | |
| C15 | 0.16763 (13) | 0.7107 (4) | 0.3315 (2) | 0.0628 (10) | |
| H15 | 0.1325 | 0.7115 | 0.3271 | 0.075* | |
| C16 | 0.18986 (15) | 0.6257 (4) | 0.3863 (2) | 0.0716 (11) | |
| H16 | 0.1697 | 0.5686 | 0.4189 | 0.086* | |
| C17 | 0.24310 (16) | 0.6224 (4) | 0.3950 (2) | 0.0708 (11) | |
| H17 | 0.2577 | 0.5645 | 0.4334 | 0.085* | |
| C18 | 0.27294 (14) | 0.7039 (4) | 0.3470 (2) | 0.0638 (10) | |
| H18 | 0.3079 | 0.7009 | 0.3530 | 0.077* | |
| C19 | 0.25146 (12) | 0.7941 (4) | 0.28769 (18) | 0.0514 (8) | |
| C20 | 0.28036 (11) | 0.8773 (4) | 0.23658 (18) | 0.0524 (8) | |
| H20 | 0.3155 | 0.8749 | 0.2398 | 0.063* | |
| C21 | 0.25709 (12) | 0.9640 (4) | 0.18072 (18) | 0.0504 (8) | |
| C22 | 0.28402 (14) | 1.0520 (4) | 0.1261 (2) | 0.0639 (10) | |
| H22 | 0.3192 | 1.0524 | 0.1271 | 0.077* | |
| C23 | 0.25950 (17) | 1.1351 (4) | 0.0727 (2) | 0.0737 (11) | |
| H23 | 0.2779 | 1.1914 | 0.0376 | 0.088* | |
| C24 | 0.20596 (17) | 1.1363 (4) | 0.0705 (2) | 0.0734 (11) | |
| H24 | 0.1893 | 1.1932 | 0.0336 | 0.088* | |
| C25 | 0.17860 (13) | 1.0551 (4) | 0.1217 (2) | 0.0632 (10) | |
| H25 | 0.1434 | 1.0584 | 0.1199 | 0.076* | |
| C26 | 0.20288 (12) | 0.9648 (4) | 0.17826 (18) | 0.0514 (8) | |
| N1 | 0.08930 (10) | 0.6160 (4) | 0.03670 (17) | 0.0675 (9) | |
| N2 | 0.17409 (9) | 0.8829 (3) | 0.22676 (15) | 0.0528 (7) | |
| O1 | 0.0000 | 0.3361 (6) | −0.2500 | 0.1183 (16) | |
| O2 | 0.07381 (11) | 0.8227 (5) | 0.17081 (17) | 0.1234 (14) | |
| H2A | 0.0499 | 0.9004 | 0.2031 | 0.137 (18)* | |
| H2B | 0.1071 | 0.8385 | 0.1869 | 0.137 (18)* | |
| H1 | −0.0308 (14) | 0.280 (6) | −0.248 (4) | 0.205* |