x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.4226 (3)	0.55162 (19)	0.68996 (7)	0.0419 (6)
C2	0.3958 (3)	0.5738 (2)	0.73262 (8)	0.0481 (7)
C3	0.4637 (4)	0.5207 (2)	0.76547 (9)	0.0617 (8)
H3	0.4434	0.5376	0.7935	0.074*
C4	0.5601 (4)	0.4437 (2)	0.75645 (9)	0.0674 (9)
H4	0.6058	0.4078	0.7783	0.081*
C5	0.5895 (4)	0.4195 (2)	0.71485 (10)	0.0636 (8)
H5	0.6561	0.3675	0.7085	0.076*
C6	0.5201 (3)	0.4723 (2)	0.68231 (9)	0.0518 (7)
H6	0.5398	0.4539	0.6544	0.062*
C7	0.3550 (3)	0.61147 (18)	0.65354 (7)	0.0413 (6)
H7	0.2483	0.6299	0.6601	0.050*
C8	0.4494 (3)	0.70502 (18)	0.64348 (7)	0.0434 (6)
H8A	0.3860	0.7642	0.6452	0.052*
H8B	0.5363	0.7118	0.6627	0.052*
C9	0.5024 (3)	0.68659 (19)	0.59887 (8)	0.0409 (6)
C10	0.2617 (3)	0.48364 (19)	0.60260 (8)	0.0461 (6)
C11	0.2627 (4)	0.4488 (2)	0.55716 (9)	0.0591 (8)
H11A	0.3349	0.4877	0.5411	0.089*	0.50
H11B	0.1614	0.4562	0.5453	0.089*	0.50
H11C	0.2925	0.3802	0.5562	0.089*	0.50
H11D	0.1910	0.3950	0.5539	0.089*	0.50
H11E	0.3644	0.4265	0.5498	0.089*	0.50
H11F	0.2334	0.5025	0.5389	0.089*	0.50
C12	0.6069 (3)	0.7528 (2)	0.57636 (8)	0.0456 (6)
C13	0.6708 (3)	0.84249 (19)	0.59343 (9)	0.0523 (7)
H13	0.6467	0.8705	0.6196	0.063*
C14	0.7769 (4)	0.8809 (2)	0.56346 (10)	0.0593 (8)
H14	0.8346	0.9387	0.5665	0.071*
C15	0.7799 (4)	0.8165 (3)	0.52835 (9)	0.0615 (8)
H15	0.8397	0.8247	0.5041	0.074*
C16	0.6772 (3)	0.7373 (2)	0.53603 (8)	0.0558 (7)
H16	0.6586	0.6841	0.5179	0.067*
C17	1.0530 (4)	0.7425 (2)	0.60978 (10)	0.0635 (8)
H17	1.1130	0.7984	0.6149	0.076*
C18	1.0552 (4)	0.6843 (3)	0.57284 (10)	0.0665 (9)
H18	1.1166	0.6948	0.5491	0.080*
C19	0.9461 (4)	0.6060 (2)	0.57837 (10)	0.0628 (8)
H19	0.9238	0.5560	0.5590	0.075*
C20	0.8795 (4)	0.6185 (2)	0.61815 (9)	0.0560 (8)
H20	0.8039	0.5782	0.6300	0.067*
C21	0.9452 (4)	0.7019 (2)	0.63740 (9)	0.0581 (8)
H21	0.9208	0.7262	0.6642	0.070*
N1	0.2950 (3)	0.6566 (2)	0.74518 (7)	0.0580 (7)
N2	0.3604 (3)	0.55775 (15)	0.61266 (6)	0.0421 (5)
N3	0.4499 (2)	0.60674 (15)	0.58194 (6)	0.0446 (5)
O1	0.2640 (4)	0.72062 (19)	0.71980 (7)	0.0857 (8)
O2	0.2464 (3)	0.6580 (2)	0.78155 (7)	0.0818 (7)
O3	0.1803 (2)	0.44698 (15)	0.63000 (6)	0.0583 (5)
Fe1	0.84006 (4)	0.74057 (2)	0.581679 (10)	0.04091 (12)