| x | y | z | Uiso*/Ueq | ||
| C1 | 0.20517 (13) | 0.35795 (13) | 0.37822 (16) | 0.0565 (4) | |
| H1 | 0.2233 | 0.3054 | 0.3355 | 0.068* | |
| C2 | 0.13329 (14) | 0.43504 (14) | 0.30526 (17) | 0.0602 (4) | |
| H2 | 0.1041 | 0.4347 | 0.2121 | 0.072* | |
| C3 | 0.10387 (14) | 0.51262 (13) | 0.36769 (17) | 0.0573 (4) | |
| H3 | 0.0555 | 0.5635 | 0.3164 | 0.069* | |
| C4 | 0.14643 (12) | 0.51452 (11) | 0.50668 (16) | 0.0494 (3) | |
| H4 | 0.1265 | 0.5660 | 0.5494 | 0.059* | |
| C5 | 0.21853 (11) | 0.43880 (9) | 0.57979 (14) | 0.0401 (3) | |
| C6 | 0.24886 (11) | 0.36182 (10) | 0.51613 (15) | 0.0444 (3) | |
| C7 | 0.35751 (11) | 0.32910 (9) | 0.73933 (15) | 0.0440 (3) | |
| C8 | 0.28153 (11) | 0.42334 (9) | 0.72866 (14) | 0.0383 (3) | |
| C9 | 0.21736 (12) | 0.45201 (9) | 0.89615 (14) | 0.0416 (3) | |
| C10 | 0.30798 (11) | 0.53001 (8) | 0.90518 (13) | 0.0355 (3) | |
| C11 | 0.35077 (10) | 0.50798 (8) | 0.81357 (13) | 0.0346 (3) | |
| C12 | 0.45130 (11) | 0.55592 (8) | 0.79841 (13) | 0.0347 (3) | |
| C13 | 0.57815 (14) | 0.55042 (11) | 0.68384 (18) | 0.0541 (4) | |
| H13A | 0.5593 | 0.6150 | 0.6455 | 0.081* | |
| H13B | 0.5951 | 0.5079 | 0.6240 | 0.081* | |
| H13C | 0.6477 | 0.5537 | 0.7686 | 0.081* | |
| C14 | 0.26345 (11) | 0.64409 (9) | 1.05174 (13) | 0.0383 (3) | |
| C15 | 0.30989 (14) | 0.68008 (11) | 1.18109 (15) | 0.0512 (3) | |
| H15 | 0.3924 | 0.6758 | 1.2355 | 0.061* | |
| C16 | 0.23301 (17) | 0.72265 (13) | 1.22943 (18) | 0.0649 (5) | |
| H16 | 0.2643 | 0.7472 | 1.3167 | 0.078* | |
| C17 | 0.11072 (16) | 0.72924 (13) | 1.1501 (2) | 0.0646 (5) | |
| H17 | 0.0594 | 0.7565 | 1.1844 | 0.077* | |
| C18 | 0.06501 (14) | 0.69548 (12) | 1.02087 (18) | 0.0592 (4) | |
| H18 | −0.0174 | 0.7007 | 0.9665 | 0.071* | |
| C19 | 0.14097 (12) | 0.65364 (11) | 0.97084 (15) | 0.0482 (3) | |
| H19 | 0.1097 | 0.6318 | 0.8823 | 0.058* | |
| N1 | 0.32908 (11) | 0.29741 (8) | 0.61328 (14) | 0.0520 (3) | |
| H1A | 0.3634 (15) | 0.2457 (10) | 0.5943 (17) | 0.062* | |
| N2 | 0.34264 (10) | 0.60019 (8) | 1.00166 (11) | 0.0393 (2) | |
| H2A | 0.4110 (10) | 0.6321 (10) | 1.0165 (15) | 0.047* | |
| O1 | 0.42614 (9) | 0.29188 (7) | 0.84405 (12) | 0.0569 (3) | |
| O2 | 0.19725 (8) | 0.39643 (6) | 0.78561 (10) | 0.0445 (2) | |
| O3 | 0.17129 (11) | 0.43426 (8) | 0.96977 (12) | 0.0624 (3) | |
| O4 | 0.47595 (8) | 0.51218 (7) | 0.70423 (10) | 0.0448 (2) | |
| O5 | 0.50692 (8) | 0.62507 (6) | 0.86606 (9) | 0.0437 (2) |