| x | y | z | Uiso*/Ueq | ||
| N1 | 0.02649 (13) | 0.54949 (11) | 0.2168 (3) | 0.0420 (5) | |
| N2 | −0.00324 (14) | 0.62920 (13) | 0.2245 (3) | 0.0541 (6) | |
| N3 | 0.05838 (14) | 0.67707 (13) | 0.1660 (3) | 0.0543 (6) | |
| N4 | −0.07242 (14) | 0.36437 (14) | 0.3301 (3) | 0.0537 (6) | |
| H4N | −0.0746 | 0.3111 | 0.3380 | 0.064* | |
| N5 | −0.00456 (14) | 0.40638 (13) | 0.2603 (3) | 0.0530 (6) | |
| N6 | 0.46882 (13) | 0.32571 (12) | 0.7645 (3) | 0.0439 (5) | |
| N7 | 0.49447 (14) | 0.24550 (13) | 0.7423 (3) | 0.0526 (6) | |
| N8 | 0.43181 (14) | 0.19849 (13) | 0.7993 (3) | 0.0497 (6) | |
| N9 | 0.57547 (15) | 0.50986 (14) | 0.6752 (3) | 0.0583 (6) | |
| H9N | 0.5810 | 0.5630 | 0.6799 | 0.070* | |
| N10 | 0.50816 (15) | 0.46815 (13) | 0.7472 (3) | 0.0573 (6) | |
| O1 | 0.21506 (14) | 0.74272 (12) | 0.0353 (3) | 0.0738 (7) | |
| O2 | 0.26259 (12) | 0.61387 (11) | −0.0124 (3) | 0.0578 (5) | |
| O3 | 0.27863 (13) | 0.13456 (11) | 0.9465 (3) | 0.0632 (6) | |
| O4 | 0.22679 (11) | 0.26408 (11) | 0.9707 (3) | 0.0539 (5) | |
| C1 | −0.02877 (16) | 0.48505 (14) | 0.2760 (3) | 0.0418 (6) | |
| C2 | 0.12793 (16) | 0.62903 (15) | 0.1203 (3) | 0.0437 (6) | |
| C3 | 0.10864 (15) | 0.54705 (14) | 0.1526 (3) | 0.0404 (6) | |
| C4 | −0.13523 (18) | 0.41433 (17) | 0.3852 (4) | 0.0551 (7) | |
| H4 | −0.1872 | 0.3978 | 0.4365 | 0.066* | |
| C5 | 0.20503 (17) | 0.66914 (16) | 0.0457 (4) | 0.0480 (6) | |
| C6 | −0.11000 (18) | 0.49401 (16) | 0.3534 (4) | 0.0543 (7) | |
| H6 | −0.1399 | 0.5428 | 0.3775 | 0.065* | |
| C7 | 0.15978 (18) | 0.46989 (16) | 0.1315 (4) | 0.0597 (8) | |
| H7A | 0.1607 | 0.4401 | 0.2419 | 0.090* | |
| H7B | 0.2179 | 0.4837 | 0.0976 | 0.090* | |
| H7C | 0.1339 | 0.4358 | 0.0414 | 0.090* | |
| C8 | 0.33943 (19) | 0.64841 (19) | −0.0931 (5) | 0.0678 (9) | |
| H8A | 0.3235 | 0.6797 | −0.1966 | 0.102* | |
| H8B | 0.3778 | 0.6042 | −0.1265 | 0.102* | |
| H8C | 0.3680 | 0.6843 | −0.0098 | 0.102* | |
| C9 | 0.52627 (17) | 0.38975 (15) | 0.7090 (3) | 0.0450 (6) | |
| C10 | 0.36599 (16) | 0.24783 (15) | 0.8580 (3) | 0.0414 (6) | |
| C11 | 0.38853 (16) | 0.32974 (14) | 0.8365 (3) | 0.0429 (6) | |
| C12 | 0.28750 (17) | 0.20845 (16) | 0.9289 (3) | 0.0449 (6) | |
| C13 | 0.6320 (2) | 0.46024 (18) | 0.5970 (4) | 0.0648 (8) | |
| H13 | 0.6826 | 0.4764 | 0.5399 | 0.078* | |
| C14 | 0.6020 (2) | 0.38078 (18) | 0.6156 (4) | 0.0655 (8) | |
| H14 | 0.6271 | 0.3319 | 0.5746 | 0.079* | |
| C15 | 0.14627 (18) | 0.23064 (18) | 1.0380 (4) | 0.0608 (8) | |
| H15A | 0.1207 | 0.1951 | 0.9500 | 0.091* | |
| H15B | 0.1074 | 0.2754 | 1.0646 | 0.091* | |
| H15C | 0.1574 | 0.1992 | 1.1438 | 0.091* | |
| C16 | 0.3426 (2) | 0.40823 (17) | 0.8776 (5) | 0.0707 (9) | |
| H16A | 0.3720 | 0.4365 | 0.9724 | 0.106* | |
| H16B | 0.2844 | 0.3960 | 0.9130 | 0.106* | |
| H16C | 0.3418 | 0.4430 | 0.7742 | 0.106* |