x	y	z	Uiso*/Ueq
Hg1	0.0000	1.49817 (4)	0.7500	0.04679 (9)
I1	0.06739 (2)	1.65983 (6)	0.84809 (2)	0.06479 (11)
C19	0.11064 (13)	0.4748 (8)	0.6784 (2)	0.0541 (11)
H19	0.1329	0.4209	0.7164	0.065*
C15	0.06588 (13)	0.4500 (8)	0.5599 (2)	0.0560 (11)
H15	0.0575	0.3788	0.5170	0.067*
C16	0.04479 (12)	0.6381 (8)	0.5667 (2)	0.0540 (10)
H16	0.0227	0.6937	0.5288	0.065*
N5	0.01215 (9)	1.2154 (6)	0.67843 (16)	0.0452 (7)
N3	0.03392 (9)	0.9312 (6)	0.63805 (16)	0.0409 (7)
C13	0.12305 (12)	0.1699 (7)	0.6110 (2)	0.0485 (9)
H13	0.1406	0.1013	0.6525	0.058*
C21	−0.01308 (12)	1.1596 (8)	0.6130 (2)	0.0590 (11)
H21	−0.0370	1.2354	0.5892	0.071*
C20	0.04150 (12)	1.0708 (7)	0.6927 (2)	0.0447 (9)
H20	0.0641	1.0659	0.7344	0.054*
C17	0.05698 (10)	0.7431 (6)	0.63072 (19)	0.0401 (8)
C14	0.09914 (11)	0.3646 (7)	0.6153 (2)	0.0439 (9)
N4	−0.00144 (11)	0.9900 (6)	0.58534 (19)	0.0614 (10)
C18	0.08964 (12)	0.6650 (8)	0.6862 (2)	0.0528 (10)
H18	0.0979	0.7374	0.7290	0.063*
C10	0.14855 (11)	−0.1065 (7)	0.5526 (2)	0.0430 (9)
C9	0.17746 (11)	−0.2203 (7)	0.61823 (19)	0.0481 (9)
H9A	0.1640	−0.3332	0.6333	0.058*
H9B	0.1885	−0.0966	0.6532	0.058*
C11	0.14662 (11)	−0.1692 (7)	0.4915 (2)	0.0468 (9)
H11	0.1295	−0.0878	0.4520	0.056*
C12	0.12256 (12)	0.0798 (7)	0.5548 (2)	0.0490 (10)
H12	0.1040	0.1402	0.5129	0.059*
C6	0.21068 (11)	−0.3527 (6)	0.61357 (19)	0.0451 (9)
C5	0.19376 (13)	−0.5051 (6)	0.5484 (2)	0.0504 (10)
H5A	0.2147	−0.5826	0.5437	0.061*
H5B	0.1775	−0.6298	0.5524	0.061*
C4	0.17029 (11)	−0.3582 (7)	0.4857 (2)	0.0448 (9)
C1	0.19109 (13)	−0.6083 (9)	0.4172 (2)	0.0556 (10)
C2	0.17018 (12)	−0.4045 (8)	0.4249 (2)	0.0493 (10)
C3	0.14937 (13)	−0.2621 (9)	0.3649 (2)	0.0566 (11)
N2	0.13295 (13)	−0.1425 (8)	0.3170 (2)	0.0772 (12)
N1	0.20731 (13)	−0.7689 (8)	0.4121 (2)	0.0824 (13)
C8	0.24041 (12)	−0.1776 (7)	0.6121 (2)	0.0580 (11)
H8A	0.2609	−0.2658	0.6095	0.087*
H8B	0.2510	−0.0819	0.6531	0.087*
H8C	0.2280	−0.0748	0.5726	0.087*
C7	0.23118 (16)	−0.5185 (7)	0.6758 (3)	0.0698 (14)
H7A	0.2131	−0.6351	0.6761	0.105*
H7B	0.2411	−0.4252	0.7173	0.105*
H7C	0.2522	−0.5992	0.6732	0.105*