| x | y | z | Uiso*/Ueq | ||
| O2 | 0.14816 (10) | 0.1901 (2) | 0.50117 (7) | 0.0517 (4) | |
| N2 | 0.09833 (10) | 0.5171 (2) | 0.54147 (8) | 0.0372 (4) | |
| O1 | 0.53271 (11) | 1.1732 (2) | 0.59161 (8) | 0.0571 (4) | |
| N1 | 0.58560 (11) | 1.5000 (2) | 0.55280 (8) | 0.0423 (4) | |
| C15 | 0.19661 (13) | 0.5530 (3) | 0.58423 (9) | 0.0369 (4) | |
| C16 | 0.08291 (13) | 0.3358 (3) | 0.50265 (9) | 0.0383 (4) | |
| C14 | 0.25272 (14) | 0.7430 (3) | 0.57627 (10) | 0.0432 (5) | |
| H14A | 0.2275 | 0.8470 | 0.5438 | 0.052* | |
| C6 | 0.67677 (14) | 1.5123 (3) | 0.60368 (10) | 0.0434 (5) | |
| C7 | 0.52080 (14) | 1.3255 (3) | 0.55088 (11) | 0.0431 (5) | |
| C1 | 0.75220 (14) | 1.3485 (3) | 0.60645 (10) | 0.0442 (5) | |
| H1A | 0.7416 | 1.2280 | 0.5774 | 0.053* | |
| C10 | 0.23305 (13) | 0.4011 (3) | 0.63376 (9) | 0.0410 (5) | |
| H10A | 0.1942 | 0.2748 | 0.6391 | 0.049* | |
| C13 | 0.34654 (15) | 0.7763 (3) | 0.61707 (11) | 0.0499 (5) | |
| H13A | 0.3853 | 0.9026 | 0.6116 | 0.060* | |
| C8 | 0.56977 (15) | 1.6836 (3) | 0.50490 (11) | 0.0487 (5) | |
| H8A | 0.6345 | 1.7026 | 0.4821 | 0.058* | |
| H8B | 0.5608 | 1.8130 | 0.5326 | 0.058* | |
| C17 | 0.02008 (14) | 0.6913 (3) | 0.54148 (11) | 0.0480 (5) | |
| H17A | 0.0532 | 0.8236 | 0.5267 | 0.058* | |
| H17B | 0.0038 | 0.7134 | 0.5893 | 0.058* | |
| C12 | 0.38306 (15) | 0.6248 (3) | 0.66558 (11) | 0.0505 (5) | |
| H12A | 0.4468 | 0.6493 | 0.6924 | 0.061* | |
| C11 | 0.32667 (14) | 0.4345 (3) | 0.67562 (10) | 0.0443 (5) | |
| C5 | 0.69087 (17) | 1.6911 (3) | 0.64691 (11) | 0.0563 (6) | |
| H5A | 0.6405 | 1.8015 | 0.6450 | 0.068* | |
| C9 | 0.92602 (17) | 1.1862 (4) | 0.65370 (13) | 0.0715 (7) | |
| H9A | 0.9037 | 1.0751 | 0.6205 | 0.107* | |
| H9B | 0.9353 | 1.1243 | 0.6997 | 0.107* | |
| H9C | 0.9920 | 1.2472 | 0.6420 | 0.107* | |
| C4 | 0.78057 (19) | 1.7042 (4) | 0.69301 (12) | 0.0656 (7) | |
| H4A | 0.7901 | 1.8230 | 0.7229 | 0.079* | |
| C2 | 0.84310 (15) | 1.3621 (4) | 0.65189 (10) | 0.0507 (5) | |
| C18 | 0.36529 (18) | 0.2729 (4) | 0.73046 (12) | 0.0676 (7) | |
| H18A | 0.3167 | 0.1528 | 0.7298 | 0.101* | |
| H18B | 0.3697 | 0.3412 | 0.7755 | 0.101* | |
| H18C | 0.4341 | 0.2210 | 0.7211 | 0.101* | |
| C3 | 0.85602 (18) | 1.5430 (4) | 0.69520 (12) | 0.0637 (6) | |
| H3A | 0.9166 | 1.5552 | 0.7261 | 0.076* |