| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Zn1 | 0.73885 (3) | 0.97189 (5) | 0.87767 (6) | 0.0381 (2) | |
| O1 | 0.6630 (2) | 0.8258 (4) | 0.8567 (3) | 0.0560 (12) | |
| O2 | 0.7521 (2) | 0.6656 (5) | 0.8691 (6) | 0.0684 (15) | |
| O3 | 0.5991 (3) | 0.1007 (5) | 0.9535 (4) | 0.0695 (14) | |
| O4 | 0.6934 (2) | 0.1619 (3) | 0.8694 (3) | 0.0467 (9) | |
| C3 | 0.6499 (2) | 0.4454 (4) | 0.8818 (5) | 0.0351 (10) | |
| H3 | 0.7012 | 0.4269 | 0.8817 | 0.080* | |
| N2 | 0.8088 (3) | 0.9860 (6) | 0.7781 (4) | 0.0429 (13) | |
| N3 | 0.8753 (3) | 0.9276 (6) | 0.6618 (4) | 0.0522 (13) | |
| N4 | 1.2098 (4) | 1.0326 (6) | 0.4941 (4) | 0.0477 (15) | |
| N5 | 1.1556 (4) | 0.9499 (7) | 0.6067 (3) | 0.0527 (16) | |
| C2 | 0.6262 (3) | 0.5836 (5) | 0.8704 (4) | 0.0362 (10) | |
| C1 | 0.5488 (2) | 0.6115 (5) | 0.8722 (4) | 0.0362 (10) | |
| N1 | 0.5019 (2) | 0.4987 (4) | 0.8838 (6) | 0.0395 (10) | |
| C5 | 0.5237 (3) | 0.3608 (6) | 0.8968 (3) | 0.0381 (13) | |
| C4 | 0.5999 (3) | 0.3304 (5) | 0.8935 (3) | 0.0363 (13) | |
| C6 | 0.6854 (3) | 0.6980 (5) | 0.8651 (4) | 0.0383 (12) | |
| C7 | 0.6308 (3) | 0.1830 (5) | 0.9067 (3) | 0.0372 (12) | |
| C8 | 0.5117 (3) | 0.7510 (6) | 0.8585 (5) | 0.0523 (16) | |
| H8A | 0.5160 | 0.7777 | 0.7992 | 0.080* | |
| H8B | 0.5354 | 0.8218 | 0.8937 | 0.080* | |
| H8C | 0.4596 | 0.7439 | 0.8738 | 0.080* | |
| C9 | 0.4619 (4) | 0.2569 (7) | 0.9113 (5) | 0.0599 (18) | |
| H9A | 0.4456 | 0.2623 | 0.9700 | 0.080* | |
| H9B | 0.4796 | 0.1625 | 0.8993 | 0.080* | |
| H9C | 0.4206 | 0.2789 | 0.8740 | 0.080* | |
| C10 | 0.8374 (4) | 0.8823 (7) | 0.7308 (4) | 0.0470 (15) | |
| H10 | 0.8318 | 0.7865 | 0.7444 | 0.080* | |
| C11 | 0.8304 (5) | 1.1069 (9) | 0.7376 (5) | 0.065 (2) | |
| H11 | 0.8187 | 1.1980 | 0.7567 | 0.080* | |
| C12 | 0.8718 (5) | 1.0785 (10) | 0.6648 (6) | 0.073 (2) | |
| H12 | 0.8927 | 1.1432 | 0.6264 | 0.080* | |
| C13 | 0.9116 (4) | 0.8468 (8) | 0.5972 (4) | 0.0553 (16) | |
| H13A | 0.8888 | 0.8685 | 0.5422 | 0.080* | |
| H13B | 0.9035 | 0.7465 | 0.6086 | 0.080* | |
| C14 | 0.9961 (4) | 0.8745 (8) | 0.5913 (4) | 0.0560 (16) | |
| H14A | 1.0183 | 0.8045 | 0.5532 | 0.080* | |
| H14B | 1.0041 | 0.9675 | 0.5659 | 0.080* | |
| C15 | 1.0364 (4) | 0.8687 (9) | 0.6769 (4) | 0.0663 (19) | |
| H15A | 1.0157 | 0.7917 | 0.7109 | 0.080* | |
| H15B | 1.0277 | 0.9569 | 0.7076 | 0.080* | |
| C16 | 1.1211 (4) | 0.8462 (11) | 0.6664 (5) | 0.080 (3) | |
| H16A | 1.1451 | 0.8545 | 0.7221 | 0.080* | |
| H16B | 1.1301 | 0.7507 | 0.6452 | 0.080* | |
| C17 | 1.1862 (5) | 0.9177 (9) | 0.5306 (5) | 0.060 (2) | |
| H17 | 1.1900 | 0.8266 | 0.5077 | 0.080* | |
| C18 | 1.1924 (4) | 1.1407 (8) | 0.5463 (4) | 0.0531 (16) | |
| H18 | 1.2017 | 1.2365 | 0.5358 | 0.080* | |
| C19 | 1.1601 (4) | 1.0882 (12) | 0.6143 (5) | 0.069 (2) | |
| H19 | 1.1429 | 1.1408 | 0.6609 | 0.080* | |
| O1W | 0.3529 (5) | 0.5563 (7) | 0.9086 (4) | 0.0930 (19) | |
| O3W | 0.7170 (19) | 0.455 (3) | 1.0985 (19) | 0.094 (7) | 0.25 |
| O3W' | 0.670 (3) | 0.304 (5) | 1.064 (3) | 0.166 (14) | 0.25 |
| O2W' | 0.9930 (11) | 0.4765 (19) | 1.0714 (12) | 0.053 (4) | 0.25 |
| O2W | 0.9724 (18) | 0.538 (3) | 1.1357 (19) | 0.091 (7) | 0.25 |
| H1B | 0.320 (2) | 0.488 (4) | 0.910 (3) | 0.080* | |
| H1A | 0.3963 (11) | 0.515 (6) | 0.916 (4) | 0.080* |