| x | y | z | Uiso*/Ueq | ||
| C1 | 0.86513 (14) | 0.37654 (15) | 0.41005 (10) | 0.0322 (4) | |
| C2 | 0.94627 (14) | 0.43142 (16) | 0.36078 (11) | 0.0350 (4) | |
| H2 | 1.0277 | 0.4120 | 0.3851 | 0.042* | |
| C3 | 0.90918 (14) | 0.51234 (16) | 0.27834 (11) | 0.0345 (4) | |
| C4 | 0.70719 (14) | 0.49082 (15) | 0.28609 (10) | 0.0311 (4) | |
| C5 | 0.74344 (14) | 0.41302 (16) | 0.36931 (11) | 0.0332 (4) | |
| H5 | 0.6864 | 0.3829 | 0.4004 | 0.040* | |
| C6 | 0.57636 (14) | 0.51915 (15) | 0.24329 (11) | 0.0325 (4) | |
| C7 | 0.51068 (15) | 0.45459 (18) | 0.15657 (12) | 0.0402 (4) | |
| H7 | 0.5498 | 0.3993 | 0.1214 | 0.048* | |
| C8 | 0.38795 (16) | 0.4724 (2) | 0.12290 (13) | 0.0466 (4) | |
| H8 | 0.3443 | 0.4281 | 0.0657 | 0.056* | |
| C9 | 0.32989 (16) | 0.55609 (19) | 0.17404 (13) | 0.0467 (5) | |
| H9 | 0.2473 | 0.5686 | 0.1506 | 0.056* | |
| C10 | 0.39303 (17) | 0.62090 (19) | 0.25902 (14) | 0.0478 (5) | |
| H10 | 0.3534 | 0.6773 | 0.2931 | 0.057* | |
| C11 | 0.51660 (15) | 0.60193 (18) | 0.29407 (12) | 0.0409 (4) | |
| H11 | 0.5594 | 0.6452 | 0.3521 | 0.049* | |
| C12 | 0.90262 (14) | 0.28936 (16) | 0.49335 (11) | 0.0357 (4) | |
| C13 | 0.82087 (16) | 0.24072 (17) | 0.54461 (12) | 0.0399 (4) | |
| C14 | 1.02361 (17) | 0.24658 (18) | 0.52802 (12) | 0.0436 (4) | |
| C15 | 0.74831 (15) | 0.63071 (16) | 0.15180 (11) | 0.0366 (4) | |
| H15A | 0.6704 | 0.5997 | 0.1122 | 0.044* | |
| H15B | 0.8041 | 0.6235 | 0.1110 | 0.044* | |
| C16 | 0.73834 (19) | 0.77697 (18) | 0.17897 (12) | 0.0481 (5) | |
| H16A | 0.8174 | 0.8115 | 0.2129 | 0.058* | |
| H16B | 0.6877 | 0.7844 | 0.2241 | 0.058* | |
| C17 | 0.6847 (2) | 0.8605 (2) | 0.08532 (15) | 0.0669 (6) | |
| H17A | 0.6826 | 0.9537 | 0.1032 | 0.100* | |
| H17B | 0.6045 | 0.8298 | 0.0542 | 0.100* | |
| H17C | 0.7333 | 0.8503 | 0.0397 | 0.100* | |
| C18 | 0.99893 (17) | 0.5697 (2) | 0.22903 (14) | 0.0500 (5) | |
| H18A | 0.9884 | 0.6655 | 0.2224 | 0.075* | |
| H18B | 0.9869 | 0.5300 | 0.1642 | 0.075* | |
| H18C | 1.0788 | 0.5500 | 0.2690 | 0.075* | |
| N1 | 0.78979 (11) | 0.54168 (13) | 0.24021 (9) | 0.0320 (3) | |
| N2 | 0.75433 (16) | 0.20179 (18) | 0.58685 (12) | 0.0569 (5) | |
| N3 | 1.12223 (16) | 0.2122 (2) | 0.55469 (12) | 0.0672 (5) |