| x | y | z | Uiso*/Ueq | ||
| O1 | 0.8499 (3) | 1.73494 (13) | 0.98882 (10) | 0.0517 (5) | |
| O2 | 0.8373 (2) | 1.64288 (12) | 1.10828 (8) | 0.0388 (4) | |
| O3 | 0.02746 (18) | 1.11133 (11) | 0.77597 (8) | 0.0320 (3) | |
| N1 | 0.6209 (2) | 1.07389 (14) | 0.70106 (10) | 0.0308 (4) | |
| N2 | 0.3691 (2) | 0.99670 (14) | 0.77918 (10) | 0.0303 (4) | |
| C1 | 0.5243 (2) | 1.10427 (16) | 0.77304 (11) | 0.0296 (5) | |
| C2 | 0.3686 (3) | 0.89049 (17) | 0.70448 (12) | 0.0307 (5) | |
| C3 | 0.5245 (3) | 0.93989 (17) | 0.65689 (12) | 0.0304 (5) | |
| C4 | 0.5945 (3) | 0.87422 (17) | 0.57186 (12) | 0.0323 (5) | |
| C5 | 0.5483 (3) | 0.73492 (19) | 0.53904 (14) | 0.0420 (6) | |
| C6 | 0.6122 (3) | 0.6785 (2) | 0.45708 (15) | 0.0480 (6) | |
| C7 | 0.7243 (3) | 0.7582 (2) | 0.40643 (13) | 0.0441 (6) | |
| C8 | 0.7719 (3) | 0.8962 (2) | 0.43826 (13) | 0.0421 (6) | |
| C9 | 0.7082 (3) | 0.95396 (19) | 0.52012 (13) | 0.0376 (6) | |
| C10 | 0.5889 (2) | 1.23891 (17) | 0.83951 (12) | 0.0306 (5) | |
| C11 | 0.6297 (3) | 1.35063 (18) | 0.80399 (12) | 0.0355 (5) | |
| C12 | 0.7025 (3) | 1.47865 (18) | 0.86269 (12) | 0.0357 (5) | |
| C13 | 0.7361 (2) | 1.49682 (16) | 0.95828 (12) | 0.0303 (5) | |
| C14 | 0.6976 (3) | 1.38537 (18) | 0.99390 (12) | 0.0338 (5) | |
| C15 | 0.6249 (3) | 1.25733 (17) | 0.93528 (12) | 0.0338 (5) | |
| C16 | 0.8137 (3) | 1.63675 (17) | 1.01870 (12) | 0.0337 (5) | |
| C17 | 0.2157 (3) | 0.99226 (18) | 0.84355 (12) | 0.0335 (5) | |
| C18 | 0.0062 (3) | 0.98690 (17) | 0.80001 (13) | 0.0332 (5) | |
| C19 | −0.1480 (3) | 0.9614 (2) | 0.86693 (15) | 0.0434 (6) | |
| C20 | 0.2276 (3) | 0.75300 (17) | 0.69024 (12) | 0.0333 (5) | |
| C21 | 0.0656 (3) | 0.70164 (19) | 0.61958 (14) | 0.0434 (6) | |
| C22 | −0.0584 (3) | 0.5708 (2) | 0.60422 (17) | 0.0544 (7) | |
| C23 | −0.0218 (4) | 0.4910 (2) | 0.65886 (17) | 0.0563 (7) | |
| C24 | 0.1364 (4) | 0.5410 (2) | 0.72990 (16) | 0.0581 (8) | |
| C25 | 0.2614 (4) | 0.6721 (2) | 0.74577 (14) | 0.0465 (6) | |
| H2 | 0.88300 | 1.72160 | 1.13820 | 0.0580* | |
| H3 | −0.08050 | 1.10880 | 0.74830 | 0.0480* | |
| H5 | 0.47390 | 0.67970 | 0.57260 | 0.0500* | |
| H6 | 0.57920 | 0.58550 | 0.43580 | 0.0580* | |
| H7 | 0.76740 | 0.71960 | 0.35150 | 0.0530* | |
| H8 | 0.84730 | 0.95070 | 0.40450 | 0.0500* | |
| H9 | 0.74160 | 1.04700 | 0.54090 | 0.0450* | |
| H11 | 0.60790 | 1.33940 | 0.74010 | 0.0430* | |
| H12 | 0.72910 | 1.55290 | 0.83810 | 0.0430* | |
| H14 | 0.72080 | 1.39670 | 1.05770 | 0.0410* | |
| H15 | 0.60000 | 1.18320 | 0.95980 | 0.0410* | |
| H17A | 0.26330 | 1.07110 | 0.89580 | 0.0400* | |
| H17B | 0.20180 | 0.91390 | 0.86740 | 0.0400* | |
| H18 | −0.03550 | 0.91320 | 0.74320 | 0.0400* | |
| H19A | −0.10920 | 1.03390 | 0.92250 | 0.0650* | |
| H19B | −0.15270 | 0.87860 | 0.88230 | 0.0650* | |
| H19C | −0.28010 | 0.95570 | 0.83860 | 0.0650* | |
| H21 | 0.04000 | 0.75520 | 0.58230 | 0.0520* | |
| H22 | −0.16690 | 0.53690 | 0.55670 | 0.0650* | |
| H23 | −0.10430 | 0.40290 | 0.64770 | 0.0680* | |
| H24 | 0.15990 | 0.48720 | 0.76740 | 0.0700* | |
| H25 | 0.36850 | 0.70580 | 0.79400 | 0.0560* |