| x | y | z | Uiso*/Ueq | ||
| N1 | 0.19554 (5) | 0.4159 (2) | 0.53398 (9) | 0.0237 (3) | |
| H1 | 0.2089 (8) | 0.579 (4) | 0.5241 (13) | 0.034 (4)* | |
| O1 | 0.21507 (4) | −0.01048 (18) | 0.53804 (8) | 0.0289 (3) | |
| O2 | 0.42937 (4) | 0.00520 (19) | 0.45580 (7) | 0.0279 (3) | |
| O3 | 0.43346 (4) | 0.36344 (18) | 0.30218 (7) | 0.0242 (2) | |
| O4 | 0.34531 (4) | 0.66623 (18) | 0.25120 (7) | 0.0255 (2) | |
| C1 | 0.22841 (6) | 0.2119 (2) | 0.51372 (10) | 0.0211 (3) | |
| C11 | 0.28301 (5) | 0.2637 (2) | 0.45950 (9) | 0.0198 (3) | |
| C12 | 0.32948 (6) | 0.1047 (2) | 0.48557 (9) | 0.0213 (3) | |
| H12 | 0.3265 | −0.0265 | 0.5379 | 0.026* | |
| C13 | 0.38033 (6) | 0.1395 (3) | 0.43442 (9) | 0.0211 (3) | |
| C14 | 0.38357 (5) | 0.3267 (2) | 0.35373 (9) | 0.0202 (3) | |
| C15 | 0.33712 (6) | 0.4871 (2) | 0.32918 (9) | 0.0198 (3) | |
| C16 | 0.28646 (6) | 0.4586 (2) | 0.38262 (9) | 0.0201 (3) | |
| H16 | 0.2550 | 0.5693 | 0.3671 | 0.024* | |
| C17 | 0.42929 (6) | −0.1910 (3) | 0.53660 (10) | 0.0268 (3) | |
| H17A | 0.4199 | −0.1149 | 0.6055 | 0.040* | |
| H17B | 0.4671 | −0.2707 | 0.5438 | 0.040* | |
| H17C | 0.4008 | −0.3214 | 0.5157 | 0.040* | |
| C18 | 0.44384 (6) | 0.1648 (3) | 0.22488 (11) | 0.0294 (3) | |
| H18A | 0.4411 | −0.0034 | 0.2593 | 0.044* | |
| H18B | 0.4821 | 0.1863 | 0.1981 | 0.044* | |
| H18C | 0.4154 | 0.1767 | 0.1647 | 0.044* | |
| C19 | 0.29830 (6) | 0.8303 (3) | 0.22110 (10) | 0.0258 (3) | |
| H19A | 0.2659 | 0.7263 | 0.1939 | 0.039* | |
| H19B | 0.3095 | 0.9489 | 0.1649 | 0.039* | |
| H19C | 0.2873 | 0.9282 | 0.2839 | 0.039* | |
| C21 | 0.14322 (6) | 0.3901 (3) | 0.59287 (11) | 0.0247 (3) | |
| H21 | 0.1261 | 0.2185 | 0.5755 | 0.030* | |
| C22 | 0.15657 (7) | 0.4025 (4) | 0.71420 (11) | 0.0376 (4) | |
| H22A | 0.1758 | 0.5670 | 0.7323 | 0.045* | |
| H22B | 0.1831 | 0.2617 | 0.7357 | 0.045* | |
| C23 | 0.10231 (7) | 0.3799 (4) | 0.77699 (12) | 0.0404 (4) | |
| H23A | 0.0851 | 0.2082 | 0.7649 | 0.048* | |
| H23B | 0.1122 | 0.3984 | 0.8548 | 0.048* | |
| C24 | 0.05945 (7) | 0.5845 (3) | 0.74171 (12) | 0.0372 (4) | |
| H24A | 0.0750 | 0.7557 | 0.7612 | 0.045* | |
| H24B | 0.0239 | 0.5599 | 0.7800 | 0.045* | |
| C25 | 0.04589 (7) | 0.5735 (4) | 0.62060 (12) | 0.0376 (4) | |
| H25A | 0.0196 | 0.7153 | 0.5994 | 0.045* | |
| H25B | 0.0264 | 0.4097 | 0.6023 | 0.045* | |
| C26 | 0.10009 (6) | 0.5950 (3) | 0.55750 (11) | 0.0310 (3) | |
| H26A | 0.0901 | 0.5757 | 0.4797 | 0.037* | |
| H26B | 0.1173 | 0.7668 | 0.5692 | 0.037* |