| x | y | z | Uiso*/Ueq | ||
| N1 | 0.38131 (16) | 0.67573 (14) | 0.32881 (9) | 0.0587 (4) | |
| C1 | 0.5388 (2) | 0.6967 (2) | 0.54905 (12) | 0.0651 (5) | |
| H1A | 0.522689 | 0.649842 | 0.601246 | 0.078* | |
| H1B | 0.631139 | 0.684239 | 0.533165 | 0.078* | |
| C2 | 0.5154 (2) | 0.8351 (2) | 0.56596 (13) | 0.0698 (5) | |
| H2A | 0.425363 | 0.847263 | 0.586694 | 0.084* | |
| H2B | 0.576286 | 0.863906 | 0.609906 | 0.084* | |
| C3 | 0.53583 (17) | 0.91189 (18) | 0.48576 (13) | 0.0620 (4) | |
| H3 | 0.628642 | 0.900743 | 0.468121 | 0.074* | |
| C4 | 0.44845 (17) | 0.86058 (16) | 0.41413 (12) | 0.0566 (4) | |
| H4A | 0.466096 | 0.907853 | 0.362330 | 0.068* | |
| H4B | 0.355835 | 0.873562 | 0.429161 | 0.068* | |
| C5 | 0.47082 (15) | 0.72069 (16) | 0.39624 (10) | 0.0508 (4) | |
| H5 | 0.562872 | 0.708887 | 0.377202 | 0.061* | |
| C6 | 0.44943 (15) | 0.64426 (16) | 0.47810 (9) | 0.0484 (4) | |
| H6 | 0.357383 | 0.659273 | 0.496077 | 0.058* | |
| C7 | 0.34579 (16) | 0.54953 (16) | 0.32338 (9) | 0.0517 (4) | |
| C8 | 0.38003 (15) | 0.46188 (15) | 0.38711 (9) | 0.0492 (4) | |
| C9 | 0.46345 (16) | 0.50046 (17) | 0.46439 (9) | 0.0513 (4) | |
| C10 | 0.27175 (19) | 0.50620 (18) | 0.25324 (11) | 0.0621 (4) | |
| H10 | 0.246012 | 0.563166 | 0.211266 | 0.075* | |
| C11 | 0.23606 (19) | 0.38138 (19) | 0.24481 (12) | 0.0648 (5) | |
| H11 | 0.188546 | 0.355866 | 0.196845 | 0.078* | |
| C12 | 0.26960 (18) | 0.29373 (18) | 0.30627 (12) | 0.0620 (4) | |
| C13 | 0.34035 (17) | 0.33742 (17) | 0.37640 (11) | 0.0579 (4) | |
| H13 | 0.362622 | 0.279976 | 0.418889 | 0.069* | |
| C14 | 0.5139 (2) | 1.0515 (2) | 0.49995 (16) | 0.0780 (6) | |
| H14A | 0.423655 | 1.065695 | 0.517634 | 0.117* | |
| H14B | 0.530617 | 1.096137 | 0.447712 | 0.117* | |
| H14C | 0.573460 | 1.081061 | 0.543498 | 0.117* | |
| C15 | 0.2335 (3) | 0.1564 (2) | 0.29657 (17) | 0.0872 (7) | |
| H15A | 0.222116 | 0.119406 | 0.352062 | 0.131* | |
| H15B | 0.303458 | 0.113374 | 0.266677 | 0.131* | |
| H15C | 0.152176 | 0.149164 | 0.264824 | 0.131* | |
| C16 | 0.60856 (18) | 0.4612 (2) | 0.44781 (13) | 0.0689 (5) | |
| H16A | 0.662066 | 0.482466 | 0.496540 | 0.103* | |
| H16B | 0.641587 | 0.504656 | 0.398371 | 0.103* | |
| H16C | 0.612541 | 0.372124 | 0.438170 | 0.103* | |
| C17 | 0.4133 (2) | 0.43261 (19) | 0.54534 (11) | 0.0659 (5) | |
| H17A | 0.463342 | 0.460816 | 0.593947 | 0.099* | |
| H17B | 0.424506 | 0.343467 | 0.538626 | 0.099* | |
| H17C | 0.320781 | 0.451316 | 0.553822 | 0.099* | |
| C18 | 0.37514 (19) | 0.74991 (18) | 0.24998 (11) | 0.0614 (4) | |
| H18A | 0.400066 | 0.696834 | 0.202166 | 0.074* | |
| H18B | 0.439266 | 0.817919 | 0.253479 | 0.074* | |
| C19 | 0.2427 (2) | 0.80308 (18) | 0.23385 (11) | 0.0646 (5) | |
| C20 | 0.1372 (3) | 0.8443 (2) | 0.21983 (15) | 0.0835 (6) | |
| H20 | 0.053201 | 0.877163 | 0.208666 | 0.100* |