| x | y | z | Uiso*/Ueq | ||
| C1 | 0.36015 (14) | 0.01198 (9) | 0.26268 (15) | 0.0391 (4) | |
| H7 | 0.4045 | 0.0419 | 0.3291 | 0.047* | |
| C2 | 0.23967 (14) | 0.12916 (9) | 0.20681 (14) | 0.0373 (4) | |
| C3 | 0.39979 (15) | 0.08608 (9) | 0.07274 (15) | 0.0425 (4) | |
| C4 | 0.23326 (14) | 0.04423 (9) | 0.24437 (14) | 0.0372 (4) | |
| H8 | 0.1903 | 0.0165 | 0.1743 | 0.045* | |
| C5 | 0.16508 (15) | 0.03406 (9) | 0.36401 (14) | 0.0419 (4) | |
| H6 | 0.1853 | −0.0169 | 0.3975 | 0.050* | |
| C6 | 0.26422 (15) | 0.15513 (10) | 0.43883 (15) | 0.0436 (4) | |
| C7 | 0.05756 (18) | 0.12622 (12) | 0.05276 (18) | 0.0632 (6) | |
| H19 | 0.0897 | 0.0833 | 0.0166 | 0.076* | |
| C8 | −0.0509 (2) | 0.15353 (16) | 0.0041 (2) | 0.0809 (7) | |
| H20 | −0.0919 | 0.1286 | −0.0637 | 0.097* | |
| C9 | −0.0985 (2) | 0.21711 (15) | 0.0550 (2) | 0.0752 (7) | |
| H21 | −0.1719 | 0.2354 | 0.0225 | 0.090* | |
| C10 | −0.03787 (19) | 0.25315 (12) | 0.1531 (2) | 0.0709 (6) | |
| H22 | −0.0697 | 0.2968 | 0.1871 | 0.085* | |
| C11 | 0.07081 (17) | 0.22610 (10) | 0.20371 (19) | 0.0544 (5) | |
| H23 | 0.1112 | 0.2516 | 0.2713 | 0.065* | |
| C12 | 0.11932 (15) | 0.16153 (9) | 0.15439 (14) | 0.0401 (4) | |
| C13 | 0.36784 (14) | −0.07141 (9) | 0.30018 (16) | 0.0411 (4) | |
| C14 | 0.33752 (17) | −0.12905 (10) | 0.2150 (2) | 0.0562 (5) | |
| H9 | 0.3092 | −0.1171 | 0.1324 | 0.067* | |
| C15 | 0.3491 (2) | −0.20481 (12) | 0.2519 (3) | 0.0792 (7) | |
| H12 | 0.3274 | −0.2433 | 0.1940 | 0.095* | |
| C16 | 0.3920 (2) | −0.22366 (14) | 0.3727 (3) | 0.0882 (9) | |
| H13 | 0.4006 | −0.2747 | 0.3964 | 0.106* | |
| C17 | 0.42204 (19) | −0.16715 (15) | 0.4581 (3) | 0.0788 (7) | |
| H11 | 0.4512 | −0.1795 | 0.5403 | 0.095* | |
| C18 | 0.40914 (17) | −0.09161 (12) | 0.42245 (19) | 0.0594 (5) | |
| H10 | 0.4286 | −0.0534 | 0.4817 | 0.071* | |
| C19 | −0.0248 (2) | −0.02385 (13) | 0.26918 (19) | 0.0676 (6) | |
| H14 | 0.0207 | −0.0640 | 0.2423 | 0.081* | |
| C20 | 0.03073 (16) | 0.03569 (10) | 0.33765 (15) | 0.0461 (4) | |
| C21 | −0.03979 (18) | 0.09298 (11) | 0.38007 (19) | 0.0597 (5) | |
| H18 | −0.0056 | 0.1327 | 0.4288 | 0.072* | |
| C22 | −0.1615 (2) | 0.09177 (16) | 0.3504 (3) | 0.0835 (8) | |
| H17 | −0.2078 | 0.1310 | 0.3792 | 0.100* | |
| C23 | −0.2142 (2) | 0.0342 (2) | 0.2799 (3) | 0.0919 (9) | |
| H16 | −0.2956 | 0.0347 | 0.2589 | 0.110* | |
| C24 | −0.1464 (2) | −0.02467 (18) | 0.2401 (2) | 0.0863 (8) | |
| H15 | −0.1819 | −0.0650 | 0.1939 | 0.104* | |
| N1 | 0.41552 (14) | 0.02324 (9) | 0.14448 (14) | 0.0510 (4) | |
| N2 | 0.32026 (12) | 0.13779 (8) | 0.10666 (13) | 0.0413 (4) | |
| N3 | 0.28885 (13) | 0.17073 (8) | 0.31879 (12) | 0.0438 (4) | |
| N4 | 0.20999 (14) | 0.08804 (9) | 0.45970 (14) | 0.0523 (4) | |
| O1 | 0.45673 (11) | 0.09641 (7) | −0.02172 (11) | 0.0588 (4) | |
| O2 | 0.29450 (12) | 0.19940 (7) | 0.52711 (11) | 0.0574 (4) | |
| O3 | 0.33428 (16) | 0.17446 (9) | 0.78386 (16) | 0.0704 (4) | |
| H4 | 0.3149 (17) | 0.2203 (12) | 0.3069 (18) | 0.065 (6)* | |
| H24 | 0.3154 (16) | 0.1796 (11) | 0.0634 (17) | 0.053 (5)* | |
| H5 | 0.4604 (17) | −0.0120 (11) | 0.1161 (18) | 0.059 (6)* | |
| H3 | 0.1959 (18) | 0.0816 (12) | 0.538 (2) | 0.068 (6)* | |
| H2 | 0.348 (2) | 0.1705 (15) | 0.705 (3) | 0.105 (10)* | |
| H1 | 0.396 (3) | 0.1510 (18) | 0.834 (3) | 0.134 (12)* |