| x | y | z | Uiso*/Ueq | ||
| N1 | 0.3893 (2) | 0.1141 (5) | 0.43054 (18) | 0.0628 (8) | |
| N2 | 0.37993 (17) | 0.4842 (3) | 0.09474 (14) | 0.0480 (6) | |
| N3 | 0.38196 (16) | 0.5979 (3) | 0.03071 (14) | 0.0481 (6) | |
| O1 | 0.35466 (19) | −0.0546 (4) | 0.41861 (15) | 0.0913 (9) | |
| O2 | 0.4269 (2) | 0.1901 (4) | 0.49761 (15) | 0.0915 (9) | |
| O3 | 0.38954 (18) | 0.7649 (3) | 0.16870 (13) | 0.0712 (7) | |
| O4 | 0.37929 (16) | 0.8238 (3) | −0.31725 (12) | 0.0643 (6) | |
| O5 | 0.34226 (17) | 0.0632 (3) | 0.04415 (13) | 0.0643 (6) | |
| H5 | 0.3646 | −0.0390 | 0.0708 | 0.096* | |
| C1 | 0.3883 (2) | 0.2315 (4) | 0.36036 (17) | 0.0474 (8) | |
| C2 | 0.4211 (2) | 0.4269 (5) | 0.37219 (18) | 0.0587 (8) | |
| H2 | 0.4442 | 0.4847 | 0.4234 | 0.070* | |
| C3 | 0.4188 (2) | 0.5348 (5) | 0.30657 (18) | 0.0570 (8) | |
| H3 | 0.4402 | 0.6680 | 0.3136 | 0.068* | |
| C4 | 0.38535 (19) | 0.4503 (4) | 0.23005 (16) | 0.0433 (7) | |
| C5 | 0.3527 (2) | 0.2511 (4) | 0.22030 (18) | 0.0500 (8) | |
| H5A | 0.3303 | 0.1916 | 0.1695 | 0.060* | |
| C6 | 0.3537 (2) | 0.1412 (4) | 0.28616 (18) | 0.0520 (8) | |
| H6 | 0.3311 | 0.0088 | 0.2799 | 0.062* | |
| C7 | 0.3851 (2) | 0.5799 (4) | 0.16214 (17) | 0.0484 (7) | |
| C8 | 0.3756 (2) | 0.4971 (4) | −0.03121 (18) | 0.0492 (7) | |
| H8 | 0.3686 | 0.3578 | −0.0305 | 0.059* | |
| C9 | 0.37877 (19) | 0.5910 (4) | −0.10321 (16) | 0.0432 (7) | |
| C10 | 0.3555 (2) | 0.4751 (5) | −0.17273 (17) | 0.0525 (8) | |
| H10 | 0.3393 | 0.3398 | −0.1717 | 0.063* | |
| C11 | 0.3559 (2) | 0.5571 (4) | −0.24324 (18) | 0.0535 (8) | |
| H11 | 0.3389 | 0.4783 | −0.2895 | 0.064* | |
| C12 | 0.3818 (2) | 0.7574 (4) | −0.24426 (17) | 0.0475 (7) | |
| C13 | 0.4075 (2) | 0.8738 (4) | −0.17570 (17) | 0.0497 (8) | |
| H13 | 0.4263 | 1.0075 | −0.1762 | 0.060* | |
| C14 | 0.4054 (2) | 0.7901 (4) | −0.10576 (17) | 0.0495 (8) | |
| H14 | 0.4221 | 0.8695 | −0.0597 | 0.059* | |
| C15 | 0.3969 (2) | 1.0303 (5) | −0.3251 (2) | 0.0705 (10) | |
| H15A | 0.3480 | 1.1096 | −0.3156 | 0.106* | |
| H15B | 0.3933 | 1.0560 | −0.3787 | 0.106* | |
| H15C | 0.4614 | 1.0657 | −0.2864 | 0.106* | |
| C16 | 0.2426 (3) | 0.0315 (5) | −0.0070 (2) | 0.0854 (11) | |
| H16A | 0.2053 | 0.0016 | 0.0250 | 0.128* | |
| H16B | 0.2380 | −0.0796 | −0.0425 | 0.128* | |
| H16C | 0.2166 | 0.1508 | −0.0383 | 0.128* | |
| H2A | 0.377 (2) | 0.3496 (16) | 0.0892 (19) | 0.080* |