| x | y | z | Uiso*/Ueq | ||
| Br1 | 0.57978 (4) | 0.36821 (8) | 0.225361 (14) | 0.03020 (13) | |
| Br2 | −0.06304 (4) | 0.52607 (9) | 0.094219 (15) | 0.03690 (14) | |
| N1 | 0.2009 (3) | 0.2907 (7) | 0.19806 (11) | 0.0243 (6) | |
| H1A | 0.260 (3) | 0.140 (5) | 0.2143 (13) | 0.020 (9)* | |
| H1B | 0.102 (2) | 0.223 (8) | 0.1841 (14) | 0.033 (9)* | |
| C1 | 0.3975 (4) | 0.8813 (7) | 0.07282 (13) | 0.0216 (7) | |
| C2 | 0.4981 (3) | 0.7477 (7) | 0.12150 (13) | 0.0221 (7) | |
| H2 | 0.6107 | 0.7920 | 0.1274 | 0.026* | |
| C3 | 0.4334 (3) | 0.5501 (7) | 0.16131 (13) | 0.0203 (7) | |
| C4 | 0.2654 (3) | 0.4736 (7) | 0.15549 (12) | 0.0190 (7) | |
| C5 | 0.1679 (3) | 0.6141 (7) | 0.10623 (13) | 0.0210 (7) | |
| C6 | 0.2309 (4) | 0.8108 (7) | 0.06593 (13) | 0.0222 (7) | |
| H6 | 0.1604 | 0.8969 | 0.0338 | 0.027* | |
| C7 | 0.4705 (4) | 1.0862 (8) | 0.02740 (14) | 0.0279 (7) | |
| H7A | 0.5633 | 1.1936 | 0.0493 | 0.034* | |
| H7B | 0.3875 | 1.2306 | 0.0113 | 0.034* |