| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| F1 | 0.9058 (17) | 0.4852 (16) | 0.9973 (8) | 0.112 | 0.50 |
| F3 | 0.9270 (13) | 0.6270 (13) | 0.8772 (6) | 0.083 | 0.50 |
| F2 | 1.0892 (15) | 0.4013 (14) | 0.9084 (6) | 0.101 | 0.50 |
| F1' | 0.7985 (16) | 0.6070 (16) | 0.9651 (7) | 0.111 | 0.50 |
| F2' | 1.000 (2) | 0.4376 (16) | 0.9758 (7) | 0.111 | 0.50 |
| F3' | 0.9991 (17) | 0.5461 (16) | 0.8769 (7) | 0.115 | 0.50 |
| F4 | 0.5055 (13) | −0.0158 (14) | 0.9651 (7) | 0.085 | 0.50 |
| F5 | 0.3781 (15) | −0.0926 (12) | 0.8429 (6) | 0.080 | 0.50 |
| F6 | 0.6975 (13) | −0.0918 (12) | 0.8664 (6) | 0.078 | 0.50 |
| F4' | 0.5831 (15) | −0.0443 (15) | 0.9665 (8) | 0.097 | 0.50 |
| F5' | 0.3083 (15) | −0.0556 (14) | 0.8707 (6) | 0.095 | 0.50 |
| F6' | 0.6174 (16) | −0.1374 (14) | 0.8609 (7) | 0.093 | 0.50 |
| N | 0.3387 (7) | 0.3503 (6) | 0.6045 (3) | 0.0464 (12) | |
| H0A | 0.2534 | 0.2888 | 0.5744 | 0.056* | |
| C1 | 0.8859 (12) | 0.4933 (11) | 0.9164 (5) | 0.081 | |
| C2 | 0.5244 (14) | −0.0104 (14) | 0.8816 (5) | 0.094 (3) | |
| C3 | 0.5326 (11) | 0.1454 (10) | 0.8548 (4) | 0.063 (2) | |
| C4 | 0.4157 (10) | 0.2037 (8) | 0.7869 (4) | 0.0543 (17) | |
| H4A | 0.3136 | 0.1408 | 0.7574 | 0.065* | |
| C5 | 0.4445 (9) | 0.3611 (9) | 0.7587 (4) | 0.0527 (16) | |
| C6 | 0.5931 (11) | 0.4465 (10) | 0.8000 (4) | 0.072 (2) | |
| H6A | 0.6137 | 0.5488 | 0.7821 | 0.087* | |
| C7 | 0.7249 (13) | 0.3856 (12) | 0.8723 (5) | 0.080 (2) | |
| C8 | 0.6962 (12) | 0.2426 (12) | 0.8978 (5) | 0.079 (3) | |
| H8A | 0.7817 | 0.2026 | 0.9441 | 0.095* | |
| C9 | 0.3017 (8) | 0.4239 (8) | 0.6855 (3) | 0.0482 (15) | |
| H9A | 0.3274 | 0.5377 | 0.6823 | 0.058* | |
| C10 | 0.0783 (9) | 0.4033 (9) | 0.6903 (4) | 0.0646 (19) | |
| H10A | 0.0507 | 0.4508 | 0.7405 | 0.097* | |
| H10B | 0.0461 | 0.2926 | 0.6902 | 0.097* | |
| H10C | −0.0033 | 0.4535 | 0.6433 | 0.097* | |
| C11 | 0.5373 (9) | 0.3961 (9) | 0.5832 (4) | 0.0606 (18) | |
| H11A | 0.5542 | 0.3455 | 0.5323 | 0.091* | |
| H11B | 0.6447 | 0.3636 | 0.6269 | 0.091* | |
| H11C | 0.5419 | 0.5088 | 0.5766 | 0.091* | |
| O1 | 0.6777 (8) | 0.0742 (7) | 0.6474 (4) | 0.0869 (18) | |
| O2 | 0.5220 (7) | −0.1471 (5) | 0.6689 (3) | 0.0652 (13) | |
| H2A | 0.4226 | −0.0912 | 0.6526 | 0.098* | |
| O3 | 0.8263 (6) | −0.2740 (5) | 0.5576 (3) | 0.0579 (12) | |
| H3A | 0.8825 | −0.3437 | 0.5351 | 0.087* | |
| O4 | 1.1965 (6) | 0.0264 (5) | 0.6157 (3) | 0.0540 (11) | |
| O5 | 0.9516 (7) | 0.0076 (6) | 0.5086 (3) | 0.0678 (15) | |
| H5A | 1.0184 | 0.0743 | 0.4888 | 0.102* | |
| C12 | 0.6858 (11) | −0.0671 (9) | 0.6676 (4) | 0.0551 (17) | |
| C13 | 0.8797 (9) | −0.1508 (8) | 0.6891 (4) | 0.0522 (15) | |
| H13A | 0.8587 | −0.2481 | 0.7179 | 0.063* | |
| H13B | 0.9744 | −0.0857 | 0.7265 | 0.063* | |
| C14 | 0.9715 (8) | −0.1898 (7) | 0.6122 (3) | 0.0428 (14) | |
| H14A | 1.0894 | −0.2588 | 0.6292 | 0.051* | |
| C15 | 1.0461 (9) | −0.0360 (7) | 0.5766 (4) | 0.0464 (15) |