| x | y | z | Uiso*/Ueq | ||
| C1 | 0.59538 (10) | 0.4362 (3) | 0.2817 (5) | 0.0536 (10) | |
| C1' | 0.64958 (9) | −0.0975 (3) | 0.2534 (4) | 0.0364 (9) | |
| H1' | 0.6284 | −0.1263 | 0.1537 | 0.044* | |
| C2' | 0.65560 (10) | −0.1895 (3) | 0.3989 (4) | 0.0398 (9) | |
| C2 | 0.63385 (10) | 0.4539 (3) | 0.4201 (6) | 0.0623 (11) | |
| H2A | 0.6608 | 0.4605 | 0.3509 | 0.075* | |
| H2B | 0.6298 | 0.5262 | 0.4864 | 0.075* | |
| C3' | 0.69097 (10) | −0.2504 (3) | 0.4250 (4) | 0.0507 (10) | |
| H3' | 0.6914 | −0.3052 | 0.5217 | 0.061* | |
| C3 | 0.63991 (10) | 0.3605 (3) | 0.5617 (5) | 0.0592 (11) | |
| H3A | 0.6147 | 0.3597 | 0.6416 | 0.071* | |
| H3B | 0.6665 | 0.3757 | 0.6424 | 0.071* | |
| C4 | 0.64403 (10) | 0.2457 (3) | 0.4706 (5) | 0.0495 (10) | |
| H4A | 0.6458 | 0.1869 | 0.5689 | 0.059* | |
| H4B | 0.6716 | 0.2433 | 0.4055 | 0.059* | |
| C4' | 0.73066 (10) | −0.2407 (3) | 0.3154 (5) | 0.0529 (10) | |
| H4'A | 0.7427 | −0.3170 | 0.2938 | 0.063* | |
| H4'B | 0.7532 | −0.1960 | 0.3865 | 0.063* | |
| C4A | 0.60575 (9) | 0.2174 (3) | 0.3301 (4) | 0.0361 (9) | |
| C5 | 0.61843 (9) | 0.1098 (3) | 0.2159 (4) | 0.0351 (8) | |
| H5 | 0.6457 | 0.1294 | 0.1529 | 0.042* | |
| C5' | 0.71920 (10) | −0.1833 (3) | 0.1284 (5) | 0.0481 (10) | |
| C6 | 0.58379 (11) | 0.0870 (4) | 0.0639 (5) | 0.0494 (10) | |
| C6' | 0.69273 (9) | −0.0707 (3) | 0.1609 (5) | 0.0417 (9) | |
| C7' | 0.61661 (10) | −0.2127 (3) | 0.5115 (5) | 0.0564 (11) | |
| H7'A | 0.6219 | −0.2811 | 0.5866 | 0.085* | |
| H7'B | 0.5907 | −0.2239 | 0.4272 | 0.085* | |
| H7'C | 0.6118 | −0.1484 | 0.5939 | 0.085* | |
| C7 | 0.57720 (12) | 0.1836 (4) | −0.0693 (5) | 0.0692 (13) | |
| H7A | 0.5535 | 0.1652 | −0.1636 | 0.083* | |
| H7B | 0.6043 | 0.1966 | −0.1350 | 0.083* | |
| C8' | 0.69222 (12) | −0.2582 (4) | 0.0066 (6) | 0.0508 (10) | |
| C8 | 0.56546 (11) | 0.2901 (3) | 0.0358 (5) | 0.0593 (12) | |
| H8A | 0.5366 | 0.2797 | 0.0887 | 0.071* | |
| H8B | 0.5631 | 0.3545 | −0.0523 | 0.071* | |
| C8A | 0.59952 (10) | 0.3178 (3) | 0.1931 (5) | 0.0472 (10) | |
| H8 | 0.6277 | 0.3213 | 0.1297 | 0.057* | |
| C9 | 0.55363 (10) | 0.4563 (3) | 0.3803 (6) | 0.0470 (10) | |
| C9' | 0.75865 (11) | −0.1575 (4) | 0.0316 (5) | 0.0602 (11) | |
| C10' | 0.72097 (11) | 0.0021 (3) | 0.2844 (6) | 0.0548 (11) | |
| C10 | 0.59748 (14) | 0.5294 (3) | 0.1310 (6) | 0.0858 (16) | |
| H10A | 0.5710 | 0.5266 | 0.0482 | 0.129* | |
| H10B | 0.6231 | 0.5170 | 0.0581 | 0.129* | |
| H10C | 0.5997 | 0.6037 | 0.1913 | 0.129* | |
| C11 | 0.56460 (9) | 0.1932 (3) | 0.4331 (4) | 0.0438 (9) | |
| H11A | 0.5700 | 0.1298 | 0.5190 | 0.066* | |
| H11B | 0.5406 | 0.1739 | 0.3428 | 0.066* | |
| H11C | 0.5567 | 0.2605 | 0.5035 | 0.066* | |
| C11' | 0.68511 (11) | −0.0140 (3) | −0.0200 (6) | 0.0486 (10) | |
| C12 | 0.62924 (10) | 0.0071 (3) | 0.3388 (4) | 0.0403 (9) | |
| H12A | 0.6019 | −0.0172 | 0.3937 | 0.048* | |
| H12B | 0.6493 | 0.0326 | 0.4431 | 0.048* | |
| C13 | 0.55899 (11) | −0.0039 (4) | 0.0508 (5) | 0.0696 (13) | |
| H13A | 0.5364 | −0.0090 | −0.0448 | 0.084* | |
| H13B | 0.5637 | −0.0642 | 0.1368 | 0.084* | |
| N8' | 0.67137 (11) | −0.3154 (3) | −0.0892 (5) | 0.0749 (11) | |
| N9' | 0.78989 (10) | −0.1379 (4) | −0.0408 (5) | 0.0974 (14) | |
| N10' | 0.74280 (11) | 0.0563 (3) | 0.3805 (5) | 0.0864 (13) | |
| N11' | 0.68067 (11) | 0.0254 (3) | −0.1637 (5) | 0.0767 (11) | |
| O9 | 0.51784 (7) | 0.4467 (2) | 0.2691 (3) | 0.0616 (8) | |
| H9 | 0.4958 | 0.4589 | 0.3303 | 0.092* | |
| O9' | 0.55236 (7) | 0.4807 (2) | 0.5443 (4) | 0.0569 (7) |