| x | y | z | Uiso*/Ueq | ||
| N5 | 0.29919 (19) | 0.47148 (7) | 0.39305 (7) | 0.0366 (3) | |
| N1 | −0.0533 (2) | 0.39215 (9) | 0.75827 (9) | 0.0550 (4) | |
| N3 | 0.4950 (3) | 0.53355 (8) | 1.21413 (9) | 0.0536 (4) | |
| N4 | 0.3739 (3) | 0.70369 (9) | 1.04907 (11) | 0.0700 (5) | |
| N2 | 0.0918 (3) | 0.22596 (9) | 0.91236 (10) | 0.0730 (6) | |
| Cl1 | −0.08219 (9) | 0.19603 (3) | 0.25897 (3) | 0.06871 (18) | |
| Cl2 | −0.40722 (9) | 0.30060 (3) | 0.19589 (4) | 0.0817 (2) | |
| C4 | 0.1467 (2) | 0.41286 (9) | 0.93789 (9) | 0.0392 (4) | |
| C5 | 0.1399 (2) | 0.48648 (9) | 0.92029 (9) | 0.0402 (4) | |
| H5 | 0.0852 | 0.5004 | 0.8751 | 0.048* | |
| C7 | 0.2918 (2) | 0.51917 (9) | 1.03746 (9) | 0.0368 (4) | |
| C28 | 0.2600 (2) | 0.45003 (9) | 0.46162 (9) | 0.0366 (4) | |
| C17 | 0.1152 (3) | 0.31440 (9) | 0.29677 (9) | 0.0433 (4) | |
| H17 | 0.2095 | 0.2834 | 0.3158 | 0.052* | |
| C12 | 0.4384 (3) | 0.55209 (9) | 1.15743 (10) | 0.0407 (4) | |
| C20 | 0.3127 (2) | 0.54043 (9) | 0.37601 (9) | 0.0398 (4) | |
| H20 | 0.3386 | 0.5524 | 0.3294 | 0.048* | |
| C23 | 0.2461 (2) | 0.50382 (10) | 0.51399 (9) | 0.0405 (4) | |
| C8 | 0.2976 (2) | 0.44532 (9) | 1.05546 (9) | 0.0408 (4) | |
| H8 | 0.3498 | 0.4315 | 1.1010 | 0.049* | |
| C21 | 0.2898 (2) | 0.59540 (9) | 0.42521 (10) | 0.0432 (4) | |
| C1 | 0.0043 (3) | 0.37834 (9) | 0.81630 (10) | 0.0427 (4) | |
| C10 | 0.3650 (2) | 0.57206 (9) | 1.08701 (9) | 0.0386 (4) | |
| C6 | 0.2107 (2) | 0.53737 (9) | 0.96747 (9) | 0.0386 (4) | |
| H6 | 0.2059 | 0.5851 | 0.9535 | 0.046* | |
| C16 | 0.1436 (2) | 0.38756 (9) | 0.30184 (9) | 0.0378 (4) | |
| C27 | 0.2366 (2) | 0.37768 (9) | 0.47945 (10) | 0.0435 (4) | |
| H27 | 0.2430 | 0.3423 | 0.4446 | 0.052* | |
| C19 | 0.3282 (2) | 0.41725 (9) | 0.33621 (9) | 0.0407 (4) | |
| H19A | 0.4048 | 0.3784 | 0.3575 | 0.049* | |
| H19B | 0.3972 | 0.4391 | 0.2992 | 0.049* | |
| C18 | −0.0524 (3) | 0.28720 (9) | 0.26362 (10) | 0.0451 (4) | |
| C14 | −0.1659 (3) | 0.40587 (10) | 0.24047 (10) | 0.0497 (5) | |
| H14 | −0.2606 | 0.4368 | 0.2216 | 0.060* | |
| C22 | 0.2612 (2) | 0.57597 (10) | 0.49425 (10) | 0.0453 (4) | |
| H22 | 0.2514 | 0.6113 | 0.5289 | 0.054* | |
| C11 | 0.3706 (3) | 0.64519 (10) | 1.06735 (10) | 0.0454 (4) | |
| C9 | 0.2293 (3) | 0.39456 (9) | 1.00816 (9) | 0.0430 (4) | |
| H9 | 0.2365 | 0.3467 | 1.0218 | 0.052* | |
| C13 | −0.1939 (3) | 0.33322 (10) | 0.23607 (10) | 0.0480 (5) | |
| C2 | 0.0867 (3) | 0.28632 (10) | 0.90231 (10) | 0.0506 (5) | |
| C3 | 0.0775 (3) | 0.36059 (9) | 0.88739 (9) | 0.0434 (4) | |
| C24 | 0.2156 (3) | 0.48249 (12) | 0.58499 (10) | 0.0517 (5) | |
| H24 | 0.2092 | 0.5169 | 0.6207 | 0.062* | |
| C15 | 0.0019 (3) | 0.43294 (9) | 0.27275 (9) | 0.0450 (4) | |
| H15 | 0.0202 | 0.4821 | 0.2751 | 0.054* | |
| C25 | 0.1956 (3) | 0.41215 (12) | 0.60159 (10) | 0.0554 (5) | |
| H25 | 0.1759 | 0.3988 | 0.6485 | 0.066* | |
| C26 | 0.2045 (3) | 0.35999 (11) | 0.54832 (10) | 0.0523 (5) | |
| H26 | 0.1882 | 0.3122 | 0.5601 | 0.063* | |
| C29 | 0.2965 (3) | 0.67200 (10) | 0.40124 (12) | 0.0608 (6) | |
| H29A | 0.2461 | 0.7022 | 0.4366 | 0.091* | |
| H29B | 0.2222 | 0.6775 | 0.3558 | 0.091* | |
| H29C | 0.4256 | 0.6853 | 0.3961 | 0.091* |