| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| H1 | −0.643 (5) | 0.2133 (14) | 0.515 (3) | 0.032 (7)* | |
| Cl1 | −0.02090 (10) | 0.34713 (3) | 0.71994 (6) | 0.0279 (2) | |
| O1 | −0.3206 (3) | 0.22817 (8) | 0.83631 (16) | 0.0277 (4) | |
| N1 | −0.5907 (3) | 0.19920 (9) | 0.61148 (19) | 0.0191 (4) | |
| C1 | −0.7435 (4) | 0.14033 (11) | 0.6567 (2) | 0.0193 (4) | |
| C7 | −0.3994 (4) | 0.23849 (10) | 0.7000 (2) | 0.0200 (4) | |
| C6 | −0.9766 (4) | 0.12164 (11) | 0.5553 (2) | 0.0222 (5) | |
| H6 | −1.0266 | 0.1475 | 0.4645 | 0.027* | |
| C2 | −0.6672 (4) | 0.10139 (11) | 0.7913 (2) | 0.0220 (5) | |
| H2 | −0.5110 | 0.1133 | 0.8589 | 0.026* | |
| C4 | −1.0643 (4) | 0.02475 (12) | 0.7255 (3) | 0.0286 (5) | |
| H4 | −1.1717 | −0.0135 | 0.7496 | 0.034* | |
| C8 | −0.2919 (4) | 0.29966 (12) | 0.6089 (2) | 0.0271 (5) | |
| H8A | −0.4359 | 0.3340 | 0.5733 | 0.032* | |
| H8B | −0.2326 | 0.2787 | 0.5198 | 0.032* | |
| C5 | −1.1321 (4) | 0.06407 (12) | 0.5923 (3) | 0.0271 (5) | |
| H5 | −1.2875 | 0.0516 | 0.5247 | 0.033* | 0.574 (4) |
| F1A | −1.3441 (5) | 0.04244 (15) | 0.5018 (3) | 0.0275 (9) | 0.426 (4) |
| C3 | −0.8308 (5) | 0.04424 (12) | 0.8222 (3) | 0.0273 (5) | |
| H3 | −0.7808 | 0.0178 | 0.9122 | 0.033* | 0.426 (4) |
| F1 | −0.7655 (5) | 0.00473 (14) | 0.9442 (3) | 0.0394 (8) | 0.574 (4) |