| x | y | z | Uiso*/Ueq | ||
| O1 | 0.90768 (9) | 0.78386 (19) | 0.39052 (8) | 0.0726 (3) | |
| O2 | 0.83029 (7) | 0.45298 (17) | 0.38597 (6) | 0.0573 (3) | |
| N1 | 0.69300 (8) | 0.23856 (17) | 0.42651 (7) | 0.0465 (3) | |
| N2 | 0.47776 (8) | 0.18458 (18) | 0.34023 (6) | 0.0468 (3) | |
| C1 | 0.87740 (10) | 0.6335 (2) | 0.42833 (9) | 0.0536 (3) | |
| C2 | 0.88098 (9) | 0.6114 (2) | 0.52149 (9) | 0.0500 (3) | |
| C3 | 0.91995 (11) | 0.7553 (3) | 0.59001 (11) | 0.0616 (4) | |
| H3 | 0.9512 | 0.8881 | 0.5810 | 0.074* | |
| C4 | 0.91066 (11) | 0.6944 (3) | 0.67175 (11) | 0.0678 (4) | |
| H4 | 0.9355 | 0.7880 | 0.7189 | 0.081* | |
| C5 | 0.86475 (11) | 0.4955 (3) | 0.68471 (10) | 0.0656 (4) | |
| H5 | 0.8597 | 0.4574 | 0.7406 | 0.079* | |
| C6 | 0.82633 (10) | 0.3527 (3) | 0.61639 (9) | 0.0582 (4) | |
| H6 | 0.7954 | 0.2194 | 0.6254 | 0.070* | |
| C7 | 0.83528 (9) | 0.4141 (2) | 0.53414 (9) | 0.0479 (3) | |
| C8 | 0.80023 (10) | 0.2952 (2) | 0.44870 (9) | 0.0502 (3) | |
| H8 | 0.8419 | 0.1601 | 0.4509 | 0.060* | |
| C9 | 0.66011 (11) | 0.0825 (2) | 0.35430 (9) | 0.0520 (3) | |
| H9A | 0.7084 | −0.0412 | 0.3621 | 0.062* | |
| H9B | 0.6608 | 0.1545 | 0.2995 | 0.062* | |
| C10 | 0.55130 (11) | 0.0013 (2) | 0.35199 (9) | 0.0515 (3) | |
| H10A | 0.5293 | −0.1029 | 0.3044 | 0.062* | |
| H10B | 0.5515 | −0.0746 | 0.4061 | 0.062* | |
| C11 | 0.51096 (10) | 0.3423 (2) | 0.41085 (9) | 0.0485 (3) | |
| H11A | 0.5086 | 0.2729 | 0.4657 | 0.058* | |
| H11B | 0.4629 | 0.4664 | 0.4017 | 0.058* | |
| C12 | 0.62040 (10) | 0.4247 (2) | 0.41613 (9) | 0.0468 (3) | |
| H12A | 0.6219 | 0.5054 | 0.3634 | 0.056* | |
| H12B | 0.6417 | 0.5244 | 0.4653 | 0.056* | |
| C13 | 0.37178 (12) | 0.1092 (3) | 0.33673 (11) | 0.0711 (5) | |
| H13A | 0.3252 | 0.2336 | 0.3289 | 0.107* | |
| H13B | 0.3706 | 0.0351 | 0.3903 | 0.107* | |
| H13C | 0.3496 | 0.0089 | 0.2887 | 0.107* |