| x | y | z | Uiso*/Ueq | ||
| N1 | 0.81747 (12) | 0.20787 (5) | 0.66080 (10) | 0.01806 (19) | |
| N2 | 0.80660 (13) | 0.05512 (5) | 0.73647 (10) | 0.0212 (2) | |
| O1 | 0.73372 (11) | 0.20477 (5) | 0.40627 (9) | 0.0263 (2) | |
| C1 | 0.92473 (14) | 0.26835 (6) | 0.64614 (12) | 0.0203 (2) | |
| H1A | 1.0213 | 0.2687 | 0.7333 | 0.024* | |
| H1B | 0.9675 | 0.2624 | 0.5535 | 0.024* | |
| C2 | 0.83874 (16) | 0.33625 (6) | 0.63915 (12) | 0.0247 (2) | |
| C3 | 0.7724 (2) | 0.39109 (7) | 0.63764 (16) | 0.0338 (3) | |
| H3 | 0.7187 | 0.4355 | 0.6364 | 0.041* | |
| C4 | 0.72159 (14) | 0.18209 (6) | 0.52947 (11) | 0.0191 (2) | |
| C5 | 0.60888 (14) | 0.12224 (6) | 0.54917 (13) | 0.0218 (2) | |
| H5A | 0.5294 | 0.1118 | 0.4527 | 0.026* | |
| H5B | 0.5453 | 0.1343 | 0.6260 | 0.026* | |
| C6 | 0.72038 (14) | 0.05952 (6) | 0.59981 (12) | 0.0197 (2) | |
| C7 | 0.73684 (14) | 0.00310 (6) | 0.49079 (12) | 0.0203 (2) | |
| C8 | 0.84549 (16) | −0.05308 (6) | 0.53927 (14) | 0.0250 (2) | |
| H8 | 0.9068 | −0.0547 | 0.6410 | 0.030* | |
| C9 | 0.86457 (17) | −0.10638 (7) | 0.44028 (15) | 0.0289 (3) | |
| H9 | 0.9375 | −0.1446 | 0.4751 | 0.035* | |
| C10 | 0.77807 (19) | −0.10440 (7) | 0.29068 (15) | 0.0318 (3) | |
| H10 | 0.7916 | −0.1410 | 0.2231 | 0.038* | |
| C11 | 0.67212 (19) | −0.04871 (7) | 0.24087 (14) | 0.0318 (3) | |
| H11 | 0.6135 | −0.0468 | 0.1383 | 0.038* | |
| C12 | 0.65061 (17) | 0.00474 (7) | 0.34008 (13) | 0.0263 (3) | |
| H12 | 0.5767 | 0.0426 | 0.3048 | 0.032* | |
| C13 | 0.80668 (15) | 0.11000 (6) | 0.83976 (12) | 0.0206 (2) | |
| C14 | 0.81461 (17) | 0.09009 (6) | 0.99013 (13) | 0.0265 (3) | |
| H14 | 0.8139 | 0.0414 | 1.0143 | 0.032* | |
| C15 | 0.82341 (17) | 0.13908 (7) | 1.10369 (13) | 0.0285 (3) | |
| H15 | 0.8261 | 0.1241 | 1.2039 | 0.034* | |
| C16 | 0.82834 (16) | 0.21074 (7) | 1.07035 (13) | 0.0259 (2) | |
| H16 | 0.8353 | 0.2449 | 1.1480 | 0.031* | |
| C17 | 0.82299 (15) | 0.23177 (6) | 0.92394 (12) | 0.0221 (2) | |
| H17 | 0.8267 | 0.2806 | 0.9020 | 0.026* | |
| C18 | 0.81219 (14) | 0.18262 (6) | 0.80699 (11) | 0.0187 (2) |