| x | y | z | Uiso*/Ueq | ||
| N1 | 0.09256 (2) | 0.51979 (13) | 0.25747 (5) | 0.0358 (2) | |
| N2 | 0.40754 (2) | 0.51181 (13) | 0.99141 (5) | 0.0375 (2) | |
| C1 | 0.08446 (3) | 0.34286 (16) | 0.30095 (7) | 0.0408 (3) | |
| H1A | 0.0960 | 0.3411 | 0.3561 | 0.049* | |
| H1B | 0.0921 | 0.2325 | 0.2692 | 0.049* | |
| C2 | 0.04725 (3) | 0.32626 (19) | 0.31130 (8) | 0.0510 (3) | |
| H2A | 0.0358 | 0.3157 | 0.2562 | 0.061* | |
| H2B | 0.0426 | 0.2097 | 0.3429 | 0.061* | |
| C3 | 0.03424 (3) | 0.4991 (2) | 0.35658 (8) | 0.0531 (3) | |
| H3A | 0.0432 | 0.4996 | 0.4145 | 0.064* | |
| H3B | 0.0100 | 0.4920 | 0.3576 | 0.064* | |
| C4 | 0.04421 (3) | 0.6818 (2) | 0.31330 (8) | 0.0524 (3) | |
| H4A | 0.0375 | 0.7929 | 0.3461 | 0.063* | |
| H4B | 0.0327 | 0.6893 | 0.2581 | 0.063* | |
| C5 | 0.08159 (3) | 0.68738 (16) | 0.30341 (7) | 0.0429 (3) | |
| H5A | 0.0874 | 0.8043 | 0.2734 | 0.051* | |
| H5B | 0.0930 | 0.6906 | 0.3587 | 0.051* | |
| C6 | 0.12794 (3) | 0.52990 (17) | 0.24185 (7) | 0.0408 (3) | |
| H6A | 0.1319 | 0.6458 | 0.2091 | 0.049* | |
| H6B | 0.1337 | 0.4192 | 0.2077 | 0.049* | |
| C7 | 0.15040 (3) | 0.53310 (16) | 0.31739 (7) | 0.0390 (3) | |
| C8 | 0.16846 (3) | 0.53582 (15) | 0.37892 (7) | 0.0363 (3) | |
| C9 | 0.19232 (3) | 0.53774 (13) | 0.44832 (6) | 0.0326 (2) | |
| C10 | 0.22585 (3) | 0.50840 (14) | 0.43383 (6) | 0.0335 (2) | |
| H10A | 0.2324 | 0.4867 | 0.3790 | 0.040* | |
| C11 | 0.24966 (2) | 0.51066 (14) | 0.49867 (6) | 0.0313 (2) | |
| H11A | 0.2721 | 0.4898 | 0.4873 | 0.038* | |
| C12 | 0.24091 (2) | 0.54353 (13) | 0.58071 (6) | 0.0284 (2) | |
| C13 | 0.20725 (2) | 0.57162 (15) | 0.59484 (6) | 0.0355 (2) | |
| H13A | 0.2007 | 0.5932 | 0.6497 | 0.043* | |
| C14 | 0.18335 (3) | 0.56848 (16) | 0.53020 (6) | 0.0378 (3) | |
| H14A | 0.1609 | 0.5872 | 0.5416 | 0.045* | |
| C15 | 0.26622 (2) | 0.54789 (13) | 0.65079 (6) | 0.0281 (2) | |
| C16 | 0.26055 (2) | 0.64996 (14) | 0.72383 (6) | 0.0326 (2) | |
| H16A | 0.2409 | 0.7220 | 0.7272 | 0.039* | |
| C17 | 0.28313 (2) | 0.64730 (14) | 0.79115 (6) | 0.0331 (2) | |
| H17A | 0.2786 | 0.7173 | 0.8395 | 0.040* | |
| C18 | 0.31256 (2) | 0.54258 (14) | 0.78869 (6) | 0.0316 (2) | |
| C19 | 0.31910 (2) | 0.44566 (15) | 0.71481 (6) | 0.0337 (2) | |
| H19A | 0.3391 | 0.3779 | 0.7108 | 0.040* | |
| C20 | 0.29630 (2) | 0.44858 (14) | 0.64742 (6) | 0.0312 (2) | |
| H20A | 0.3012 | 0.3823 | 0.5983 | 0.037* | |
| C21 | 0.33448 (2) | 0.53494 (15) | 0.86180 (6) | 0.0352 (2) | |
| C22 | 0.35066 (3) | 0.53208 (16) | 0.92647 (7) | 0.0390 (3) | |
| C23 | 0.37192 (3) | 0.52602 (18) | 1.00433 (7) | 0.0424 (3) | |
| H23A | 0.3679 | 0.6422 | 1.0368 | 0.051* | |
| H23B | 0.3653 | 0.4158 | 1.0377 | 0.051* | |
| C24 | 0.41943 (3) | 0.68044 (16) | 0.94747 (7) | 0.0413 (3) | |
| H24A | 0.4138 | 0.7965 | 0.9784 | 0.050* | |
| H24B | 0.4083 | 0.6878 | 0.8919 | 0.050* | |
| C25 | 0.45676 (3) | 0.67152 (19) | 0.93867 (7) | 0.0498 (3) | |
| H25A | 0.4640 | 0.7830 | 0.9069 | 0.060* | |
| H25B | 0.4680 | 0.6759 | 0.9942 | 0.060* | |
| C26 | 0.46631 (3) | 0.48932 (19) | 0.89439 (8) | 0.0519 (3) | |
| H26A | 0.4906 | 0.4800 | 0.8937 | 0.062* | |
| H26B | 0.4575 | 0.4927 | 0.8364 | 0.062* | |
| C27 | 0.45268 (3) | 0.3159 (2) | 0.93827 (8) | 0.0528 (3) | |
| H27A | 0.4638 | 0.3029 | 0.9937 | 0.063* | |
| H27B | 0.4572 | 0.2000 | 0.9061 | 0.063* | |
| C28 | 0.41548 (3) | 0.33533 (17) | 0.94746 (7) | 0.0434 (3) | |
| H28A | 0.4042 | 0.3357 | 0.8920 | 0.052* | |
| H28B | 0.4074 | 0.2248 | 0.9784 | 0.052* |