| x | y | z | Uiso*/Ueq | ||
| N1 | 0.3971 (2) | 0.6059 (3) | 0.71942 (14) | 0.0646 (5) | |
| C2 | 0.4226 (3) | 0.6094 (3) | 0.61588 (18) | 0.0643 (6) | |
| H2A | 0.3363 | 0.6432 | 0.5631 | 0.077* | |
| C3 | 0.5833 (3) | 0.5624 (3) | 0.57416 (18) | 0.0662 (6) | |
| C4 | 0.6202 (4) | 0.6121 (4) | 0.4665 (2) | 0.0906 (8) | |
| H4A | 0.5440 | 0.6761 | 0.4203 | 0.109* | |
| C5 | 0.7722 (5) | 0.5659 (5) | 0.4274 (3) | 0.1090 (11) | |
| H5A | 0.7989 | 0.6028 | 0.3561 | 0.131* | |
| C6 | 0.8809 (4) | 0.4676 (5) | 0.4930 (3) | 0.1058 (12) | |
| H6A | 0.9813 | 0.4356 | 0.4660 | 0.127* | |
| C7 | 0.8442 (3) | 0.4155 (5) | 0.5982 (3) | 0.0977 (10) | |
| H7A | 0.9188 | 0.3468 | 0.6423 | 0.117* | |
| C8 | 0.6973 (3) | 0.4640 (4) | 0.6394 (2) | 0.0748 (7) | |
| H8A | 0.6745 | 0.4301 | 0.7121 | 0.090* | |
| C9 | 0.2278 (2) | 0.6405 (3) | 0.74826 (16) | 0.0583 (5) | |
| H9A | 0.1547 | 0.6558 | 0.6781 | 0.070* | |
| C10 | 0.1713 (3) | 0.4844 (3) | 0.8128 (2) | 0.0747 (7) | |
| H10A | 0.1743 | 0.3844 | 0.7654 | 0.112* | |
| H10B | 0.0599 | 0.5025 | 0.8328 | 0.112* | |
| H10C | 0.2442 | 0.4681 | 0.8809 | 0.112* | |
| C11 | 0.2202 (3) | 0.7992 (3) | 0.82185 (16) | 0.0538 (5) | |
| C12 | 0.3561 (3) | 0.8538 (3) | 0.88883 (18) | 0.0648 (6) | |
| H12A | 0.4567 | 0.7968 | 0.8856 | 0.078* | |
| C13 | 0.3473 (3) | 0.9946 (3) | 0.9628 (2) | 0.0760 (7) | |
| H13A | 0.4412 | 1.0271 | 1.0092 | 0.091* | |
| C14 | 0.2046 (3) | 1.0830 (3) | 0.96724 (19) | 0.0729 (7) | |
| H14A | 0.2011 | 1.1765 | 1.0161 | 0.087* | |
| C15 | 0.0608 (3) | 1.0349 (3) | 0.89846 (17) | 0.0595 (5) | |
| C16 | −0.0910 (3) | 1.1256 (3) | 0.90111 (19) | 0.0729 (7) | |
| H16A | −0.0950 | 1.2215 | 0.9478 | 0.088* | |
| C17 | −0.2301 (3) | 1.0758 (4) | 0.8373 (2) | 0.0776 (7) | |
| H17A | −0.3285 | 1.1369 | 0.8407 | 0.093* | |
| C18 | −0.2257 (3) | 0.9330 (4) | 0.7667 (2) | 0.0731 (7) | |
| H18A | −0.3217 | 0.8987 | 0.7233 | 0.088* | |
| C19 | −0.0826 (2) | 0.8434 (3) | 0.76058 (18) | 0.0618 (6) | |
| H19A | −0.0822 | 0.7490 | 0.7122 | 0.074* | |
| C20 | 0.0660 (2) | 0.8899 (3) | 0.82582 (16) | 0.0529 (5) |