| x | y | z | Uiso*/Ueq | ||
| O1 | 0.24208 (10) | 0.61579 (11) | 0.84154 (10) | 0.0282 (2) | |
| N1 | 0.14380 (12) | 0.42572 (12) | 0.71820 (11) | 0.0242 (2) | |
| O2 | 0.43518 (12) | 0.64375 (12) | 0.67744 (10) | 0.0338 (2) | |
| N2 | 0.35609 (13) | 0.42026 (15) | 0.55735 (13) | 0.0309 (3) | |
| C1 | 0.22273 (14) | 0.37913 (14) | 0.60017 (13) | 0.0238 (2) | |
| C6 | 0.41282 (13) | 0.76759 (14) | 0.87938 (13) | 0.0234 (2) | |
| C3 | 0.02113 (16) | 0.25068 (15) | 0.57653 (14) | 0.0290 (3) | |
| H3 | −0.0231 | 0.1918 | 0.5263 | 0.035* | |
| C9 | 0.36026 (13) | 0.66849 (14) | 0.79228 (13) | 0.0235 (2) | |
| C11 | 0.71088 (14) | 0.73844 (14) | 0.88508 (13) | 0.0246 (2) | |
| H11 | 0.7259 | 0.6408 | 0.9589 | 0.029* | |
| C10 | 0.55559 (14) | 0.82560 (14) | 0.82490 (12) | 0.0230 (2) | |
| C12 | 0.84456 (14) | 0.79240 (15) | 0.83861 (13) | 0.0268 (3) | |
| H12 | 0.9499 | 0.7318 | 0.8806 | 0.032* | |
| C2 | 0.15868 (15) | 0.28868 (14) | 0.52668 (13) | 0.0257 (3) | |
| H2 | 0.2114 | 0.2548 | 0.4432 | 0.031* | |
| C5 | 0.00793 (15) | 0.38539 (15) | 0.76921 (13) | 0.0269 (3) | |
| H5 | −0.0431 | 0.4190 | 0.8534 | 0.032* | |
| C14 | 0.67030 (17) | 1.02220 (15) | 0.66824 (15) | 0.0319 (3) | |
| H14 | 0.6560 | 1.1190 | 0.5934 | 0.038* | |
| C15 | 0.53697 (15) | 0.96742 (15) | 0.71553 (14) | 0.0292 (3) | |
| H15 | 0.4320 | 1.0277 | 0.6725 | 0.035* | |
| C4 | −0.05647 (16) | 0.29794 (16) | 0.70228 (14) | 0.0304 (3) | |
| H4 | −0.1509 | 0.2694 | 0.7390 | 0.036* | |
| C7 | 0.39043 (16) | 0.72252 (17) | 1.04712 (14) | 0.0321 (3) | |
| H7A | 0.3474 | 0.6310 | 1.0878 | 0.038* | |
| H7B | 0.4712 | 0.7340 | 1.1135 | 0.038* | |
| C13 | 0.82364 (15) | 0.93486 (15) | 0.73082 (14) | 0.0288 (3) | |
| H13 | 0.9145 | 0.9725 | 0.6999 | 0.035* | |
| C8 | 0.27730 (15) | 0.87131 (17) | 0.95326 (15) | 0.0332 (3) | |
| H8A | 0.2883 | 0.9746 | 0.9617 | 0.040* | |
| H8B | 0.1645 | 0.8716 | 0.9359 | 0.040* | |
| H6 | 0.407 (2) | 0.393 (2) | 0.475 (2) | 0.038 (4)* | |
| H9 | 0.389 (2) | 0.492 (2) | 0.600 (2) | 0.041 (5)* | |
| H1 | 0.185 (2) | 0.496 (2) | 0.762 (2) | 0.044 (5)* |