| x | y | z | Uiso*/Ueq | ||
| C1 | 1.1848 (3) | 0.71161 (6) | 0.10972 (19) | 0.0455 (5) | |
| H1 | 1.2239 | 0.7136 | 0.2031 | 0.055* | |
| C2 | 1.3471 (3) | 0.71050 (6) | 0.0188 (2) | 0.0487 (5) | |
| H2 | 1.4165 | 0.6857 | 0.0432 | 0.058* | |
| C3 | 1.4496 (4) | 0.7500 | 0.0466 (3) | 0.0494 (7) | |
| C4 | 1.3130 (3) | 0.70937 (6) | −0.1338 (2) | 0.0523 (5) | |
| H4A | 1.4208 | 0.7044 | −0.1801 | 0.063* | |
| H4B | 1.2372 | 0.6857 | −0.1536 | 0.063* | |
| C5 | 1.2325 (4) | 0.7500 | −0.1884 (3) | 0.0547 (7) | |
| H5A | 1.1109 | 0.7500 | −0.1667 | 0.066* | |
| H5B | 1.2429 | 0.7500 | −0.2855 | 0.066* | |
| C6 | 1.0781 (3) | 0.67181 (6) | 0.09708 (18) | 0.0440 (4) | |
| C7 | 0.9491 (3) | 0.66660 (6) | 0.0020 (2) | 0.0542 (5) | |
| H7 | 0.9213 | 0.6891 | −0.0544 | 0.065* | |
| C8 | 0.8618 (3) | 0.62882 (7) | −0.0105 (2) | 0.0560 (5) | |
| H8 | 0.7765 | 0.6260 | −0.0753 | 0.067* | |
| C9 | 0.9001 (3) | 0.59496 (6) | 0.0730 (2) | 0.0495 (5) | |
| C10 | 1.0237 (3) | 0.59983 (6) | 0.1706 (2) | 0.0530 (5) | |
| H10 | 1.0487 | 0.5775 | 0.2288 | 0.064* | |
| C11 | 1.1108 (3) | 0.63806 (6) | 0.1821 (2) | 0.0500 (5) | |
| H11 | 1.1936 | 0.6411 | 0.2489 | 0.060* | |
| C12 | 0.8378 (3) | 0.52285 (6) | 0.1337 (2) | 0.0601 (6) | |
| H12A | 0.8154 | 0.5296 | 0.2271 | 0.072* | |
| H12B | 0.9567 | 0.5139 | 0.1253 | 0.072* | |
| C13 | 0.7190 (3) | 0.48792 (7) | 0.0868 (3) | 0.0663 (6) | |
| H13A | 0.6013 | 0.4978 | 0.0945 | 0.080* | |
| H13B | 0.7413 | 0.4825 | −0.0075 | 0.080* | |
| C14 | 0.7355 (4) | 0.44743 (7) | 0.1615 (3) | 0.0752 (7) | |
| H14A | 0.7082 | 0.4523 | 0.2553 | 0.090* | |
| H14B | 0.8538 | 0.4377 | 0.1566 | 0.090* | |
| C15 | 0.6187 (4) | 0.41318 (8) | 0.1070 (3) | 0.0882 (9) | |
| H15A | 0.5020 | 0.4231 | 0.1080 | 0.132* | |
| H15B | 0.6283 | 0.3882 | 0.1618 | 0.132* | |
| H15C | 0.6517 | 0.4065 | 0.0165 | 0.132* | |
| N1 | 1.0856 (3) | 0.7500 | 0.0803 (2) | 0.0456 (5) | |
| O1 | 1.5979 (3) | 0.7500 | 0.0826 (2) | 0.0692 (6) | |
| O2 | 0.8061 (2) | 0.55880 (5) | 0.05158 (16) | 0.0662 (5) | |
| H1N | 0.991 (4) | 0.7500 | 0.127 (3) | 0.052 (9)* |