| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.57962 (3) | −0.15711 (3) | 0.127788 (19) | 0.01984 (6) | |
| O1 | −0.34868 (10) | 0.25202 (9) | 0.18488 (6) | 0.02125 (14) | |
| N1 | −0.06256 (10) | −0.06546 (8) | 0.35547 (5) | 0.01256 (12) | |
| C1 | −0.15762 (11) | 0.04733 (9) | 0.34086 (6) | 0.01226 (13) | |
| C2 | 0.08539 (11) | −0.08886 (9) | 0.30060 (6) | 0.01178 (13) | |
| C3 | 0.17738 (12) | −0.21217 (10) | 0.32169 (6) | 0.01442 (14) | |
| C4 | 0.32724 (13) | −0.23218 (10) | 0.26722 (7) | 0.01553 (14) | |
| C5 | 0.38693 (12) | −0.12954 (10) | 0.19231 (7) | 0.01427 (14) | |
| C6 | 0.29771 (11) | −0.01015 (9) | 0.16974 (6) | 0.01300 (13) | |
| C7 | 0.14195 (11) | 0.01160 (9) | 0.22419 (6) | 0.01113 (12) | |
| C8 | 0.03934 (11) | 0.13153 (9) | 0.20510 (6) | 0.01083 (12) | |
| C9 | −0.10849 (11) | 0.14720 (9) | 0.26283 (6) | 0.01146 (12) | |
| C10 | 0.09383 (11) | 0.23714 (9) | 0.12361 (6) | 0.01128 (12) | |
| C11 | −0.00355 (12) | 0.21724 (10) | 0.03113 (6) | 0.01471 (14) | |
| C12 | 0.05201 (13) | 0.31380 (11) | −0.04601 (7) | 0.01646 (15) | |
| C13 | 0.20163 (13) | 0.43138 (10) | −0.03026 (7) | 0.01619 (15) | |
| C14 | 0.29697 (13) | 0.45204 (10) | 0.06228 (7) | 0.01649 (15) | |
| C15 | 0.24533 (12) | 0.35437 (10) | 0.13932 (6) | 0.01454 (14) | |
| C16 | −0.21861 (12) | 0.27461 (10) | 0.24424 (6) | 0.01340 (13) | |
| C17 | −0.15358 (17) | 0.42459 (12) | 0.30030 (8) | 0.02276 (18) | |
| C18 | −0.31035 (13) | 0.06418 (11) | 0.40871 (7) | 0.01699 (15) | |
| H3A | 0.137 (2) | −0.2799 (18) | 0.3733 (12) | 0.017 (3)* | |
| H4A | 0.394 (3) | −0.310 (2) | 0.2795 (13) | 0.029 (4)* | |
| H6A | 0.343 (2) | 0.0569 (18) | 0.1200 (11) | 0.016 (3)* | |
| H11A | −0.117 (2) | 0.1334 (19) | 0.0189 (12) | 0.022 (4)* | |
| H12A | −0.013 (2) | 0.2955 (19) | −0.1119 (13) | 0.023 (4)* | |
| H13A | 0.239 (2) | 0.5034 (19) | −0.0772 (12) | 0.021 (4)* | |
| H14A | 0.394 (2) | 0.5305 (19) | 0.0737 (12) | 0.021 (4)* | |
| H15A | 0.306 (2) | 0.3656 (18) | 0.2039 (12) | 0.020 (4)* | |
| H17A | −0.033 (3) | 0.460 (2) | 0.2780 (14) | 0.031 (4)* | |
| H17B | −0.242 (3) | 0.488 (2) | 0.2843 (15) | 0.037 (5)* | |
| H17C | −0.153 (3) | 0.418 (3) | 0.3570 (18) | 0.045 (6)* | |
| H18A | −0.281 (3) | 0.154 (3) | 0.4486 (16) | 0.042 (5)* | |
| H18B | −0.424 (3) | 0.078 (2) | 0.3754 (14) | 0.031 (4)* | |
| H18C | −0.334 (3) | −0.026 (2) | 0.4431 (15) | 0.037 (5)* | |
| H1N1 | −0.089 (3) | −0.121 (2) | 0.4034 (14) | 0.030 (4)* | |
| Cl2 | 0.28102 (3) | 0.33444 (2) | 0.461521 (15) | 0.01541 (5) | |
| O2 | 0.27428 (10) | 0.49972 (8) | 0.45103 (6) | 0.02070 (14) | |
| O3 | 0.10191 (10) | 0.25407 (9) | 0.48844 (6) | 0.01977 (14) | |
| O4 | 0.40805 (10) | 0.32400 (9) | 0.55505 (5) | 0.01960 (13) | |
| O5 | 0.35420 (12) | 0.26779 (11) | 0.37509 (6) | 0.02648 (16) |