| x | y | z | Uiso*/Ueq | ||
| N1 | 0.8676 (5) | 0.8964 (2) | 0.69324 (16) | 0.0620 (8) | |
| N2 | 0.6880 (5) | 0.68510 (18) | 0.75149 (15) | 0.0531 (7) | |
| N3 | 0.4816 (5) | 0.63917 (17) | 0.71292 (16) | 0.0525 (7) | |
| N4 | 0.5220 (4) | 0.74876 (16) | 0.63138 (13) | 0.0402 (6) | |
| N5 | −0.2135 (5) | 0.57144 (18) | 0.56487 (19) | 0.0646 (8) | |
| N6 | 0.6492 (4) | 0.79687 (17) | 0.51665 (15) | 0.0527 (7) | |
| C1 | −0.0072 (6) | 0.6053 (2) | 0.6135 (2) | 0.0524 (8) | |
| H1 | 0.0195 | 0.6012 | 0.6710 | 0.063* | |
| C2 | −0.2431 (6) | 0.5784 (2) | 0.4816 (2) | 0.0572 (9) | |
| H2 | −0.3822 | 0.5557 | 0.4463 | 0.069* | |
| C3 | −0.0776 (6) | 0.6174 (2) | 0.4471 (2) | 0.0585 (9) | |
| H3 | −0.1055 | 0.6206 | 0.3896 | 0.070* | |
| C4 | 0.1285 (5) | 0.6514 (2) | 0.49739 (19) | 0.0479 (8) | |
| H4 | 0.2420 | 0.6781 | 0.4746 | 0.057* | |
| C5 | 0.1657 (5) | 0.64570 (19) | 0.58214 (19) | 0.0436 (8) | |
| C6 | 0.3855 (5) | 0.6773 (2) | 0.64142 (17) | 0.0418 (7) | |
| C7 | 0.7095 (5) | 0.7501 (2) | 0.70183 (18) | 0.0438 (8) | |
| C8 | 0.9078 (5) | 0.8133 (2) | 0.72220 (17) | 0.0449 (8) | |
| C9 | 1.0537 (7) | 0.9537 (2) | 0.7146 (2) | 0.0653 (10) | |
| H9 | 1.0303 | 1.0110 | 0.6951 | 0.078* | |
| C10 | 1.2745 (6) | 0.9304 (3) | 0.7638 (2) | 0.0680 (10) | |
| H10 | 1.3979 | 0.9715 | 0.7771 | 0.082* | |
| C11 | 1.3130 (6) | 0.8464 (3) | 0.7933 (2) | 0.0639 (10) | |
| H11 | 1.4620 | 0.8297 | 0.8268 | 0.077* | |
| C12 | 1.1283 (5) | 0.7875 (2) | 0.77272 (19) | 0.0547 (9) | |
| H12 | 1.1503 | 0.7303 | 0.7925 | 0.066* | |
| C13 | 0.4854 (5) | 0.80537 (19) | 0.55974 (17) | 0.0395 (7) | |
| C14 | 0.2895 (6) | 0.8593 (2) | 0.5398 (2) | 0.0525 (9) | |
| H14 | 0.1811 | 0.8621 | 0.5726 | 0.063* | |
| C15 | 0.2599 (7) | 0.9094 (2) | 0.4689 (2) | 0.0685 (11) | |
| H15 | 0.1300 | 0.9475 | 0.4529 | 0.082* | |
| C16 | 0.4233 (7) | 0.9027 (2) | 0.4218 (2) | 0.0689 (11) | |
| H16 | 0.4053 | 0.9358 | 0.3737 | 0.083* | |
| C17 | 0.6135 (6) | 0.8462 (2) | 0.4475 (2) | 0.0625 (10) | |
| H17 | 0.7234 | 0.8417 | 0.4154 | 0.075* |