x	y	z	Uiso*/Ueq	Occ. (<1)
N1	0.9898 (3)	0.26050 (14)	1.05516 (10)	0.0294 (4)	0.625
C1'	0.9898 (3)	0.26050 (14)	1.05516 (10)	0.0294 (4)	0.375
N2	1.0082 (3)	0.28041 (13)	1.18789 (10)	0.0339 (4)
H1	1.035 (5)	0.3483 (10)	1.1827 (17)	0.052 (8)*
H2	1.031 (4)	0.254 (2)	1.2335 (9)	0.045 (8)*
N3	0.9475 (4)	0.02407 (14)	1.26992 (10)	0.0396 (5)
C1	0.9186 (4)	−0.07603 (16)	1.08021 (11)	0.0369 (5)
C2	1.0684 (4)	−0.13801 (17)	1.10772 (12)	0.0414 (6)
H2A	1.1883	−0.1063	1.1200	0.050*
C3	1.0422 (5)	−0.24706 (17)	1.11721 (12)	0.0463 (7)
H3	1.1450	−0.2896	1.1355	0.056*
C4	0.8687 (5)	−0.29307 (17)	1.10017 (12)	0.0500 (8)
H4	0.8513	−0.3671	1.1075	0.060*
C5	0.7187 (5)	−0.23191 (18)	1.07229 (14)	0.0521 (7)
H5	0.5990	−0.2641	1.0603	0.063*
C6	0.7439 (5)	−0.12301 (18)	1.06183 (13)	0.0478 (6)
H6	0.6418	−0.0811	1.0422	0.057*
C7	0.9453 (4)	0.04111 (15)	1.06991 (11)	0.0336 (5)
C8	0.9536 (4)	0.08663 (16)	0.99730 (11)	0.0391 (6)
C9	0.9790 (10)	0.0170 (5)	0.9251 (4)	0.0390 (15)	0.50
H9A	1.0343	−0.0525	0.9396	0.047*	0.50
H9B	0.8524	0.0043	0.9010	0.047*	0.50
C10	1.1119 (9)	0.0727 (5)	0.8684 (3)	0.0440 (15)	0.50
H10A	1.1216	0.0310	0.8206	0.053*	0.50
H10B	1.2422	0.0801	0.8905	0.053*	0.50
C9'	0.9024 (9)	0.0270 (5)	0.9245 (4)	0.0390 (15)	0.50
H9'C	0.9220	−0.0500	0.9322	0.047*	0.50
H9'D	0.7656	0.0390	0.9117	0.047*	0.50
C10'	1.0290 (10)	0.0659 (5)	0.8592 (3)	0.0440 (15)	0.50
H10C	1.1628	0.0426	0.8683	0.053*	0.50
H10D	0.9847	0.0335	0.8108	0.053*	0.50
C11	1.0247 (5)	0.18419 (19)	0.85163 (13)	0.0485 (7)
C12	1.0305 (5)	0.2290 (2)	0.77912 (15)	0.0561 (7)
H12	1.0608	0.1859	0.7362	0.067*
C13	0.9929 (5)	0.3351 (3)	0.76887 (17)	0.0606 (8)
H13	0.9963	0.3651	0.7191	0.073*
C14	0.9497 (5)	0.3981 (3)	0.8318 (2)	0.0699 (10)
H14	0.9246	0.4716	0.8250	0.084*
C15	0.9431 (5)	0.3542 (2)	0.90409 (18)	0.0593 (9)
H15	0.9134	0.3976	0.9469	0.071*
C16	0.9798 (4)	0.24669 (16)	0.91469 (12)	0.0355 (5)
C17	0.9738 (3)	0.19760 (15)	0.99194 (12)	0.0331 (5)
C18	0.9871 (3)	0.21628 (14)	1.12653 (11)	0.0281 (4)
C19	0.9622 (3)	0.10550 (15)	1.13457 (11)	0.0291 (4)
C20	0.9531 (4)	0.05995 (15)	1.20987 (11)	0.0308 (5)
N4	1.0072 (11)	0.4629 (4)	1.0526 (3)	0.0471 (15)	0.375
C21	0.9965 (10)	0.3721 (4)	1.0492 (3)	0.0337 (12)	0.375