x	y	z	Uiso*/Ueq
C39	0.1500 (7)	0.3400 (5)	0.7660 (5)	0.146 (3)
H39A	0.2378	0.3493	0.7450	0.219*
H39B	0.1205	0.2554	0.7678	0.219*
H39C	0.1557	0.3928	0.8217	0.219*
O1	0.8551 (5)	0.7156 (4)	1.0013 (4)	0.197 (3)
O2	1.0049 (4)	0.6144 (4)	0.9548 (3)	0.1357 (15)
Ni1	0.62348 (4)	−0.11112 (3)	0.714358 (19)	0.04018 (11)
N2	0.7128 (2)	−0.2733 (2)	0.68911 (13)	0.0435 (5)
N3	0.4682 (2)	−0.2034 (2)	0.77044 (14)	0.0484 (5)
N1	0.5513 (2)	−0.1913 (2)	0.58779 (13)	0.0449 (5)
N4	0.7020 (2)	−0.0547 (2)	0.83983 (13)	0.0445 (5)
N8	0.7899 (3)	−0.0105 (3)	0.67656 (16)	0.0583 (6)
N5	0.5203 (3)	0.0329 (2)	0.72202 (17)	0.0590 (6)
C12	0.6933 (3)	−0.3347 (2)	0.60642 (15)	0.0418 (5)
C5	0.5907 (3)	−0.3441 (3)	0.46523 (17)	0.0538 (7)
C24	0.6222 (3)	−0.1045 (3)	0.89187 (16)	0.0469 (6)
C13	0.4963 (3)	−0.1838 (3)	0.85447 (17)	0.0490 (6)
C11	0.7872 (3)	−0.3163 (3)	0.74050 (18)	0.0532 (7)
H11	0.8019	−0.2746	0.7972	0.064*
C20	0.6575 (4)	−0.0808 (3)	0.97889 (18)	0.0628 (9)
C6	0.6549 (4)	−0.4473 (3)	0.4333 (2)	0.0713 (10)
H6	0.6451	−0.4833	0.3757	0.086*
C1	0.6097 (3)	−0.2884 (2)	0.55207 (15)	0.0438 (6)
N9	0.8915 (3)	0.1479 (2)	0.60677 (15)	0.0534 (6)
C38	0.8241 (3)	0.0062 (3)	0.46698 (18)	0.0505 (6)
H38	0.7834	−0.0565	0.4906	0.061*
C22	0.8588 (4)	0.0513 (3)	0.9591 (2)	0.0735 (10)
H22	0.9395	0.1066	0.9805	0.088*
C33	0.8870 (3)	0.1206 (3)	0.51983 (17)	0.0460 (6)
C8	0.7502 (3)	−0.4389 (3)	0.57381 (19)	0.0540 (7)
C14	0.3505 (3)	−0.2741 (3)	0.7350 (2)	0.0651 (9)
H14	0.3292	−0.2865	0.6774	0.078*
C32	0.8361 (3)	0.0614 (3)	0.64100 (17)	0.0486 (6)
C36	0.8833 (3)	0.0780 (3)	0.34610 (17)	0.0502 (6)
C35	0.9464 (3)	0.1919 (3)	0.39645 (19)	0.0571 (7)
H35	0.9871	0.2539	0.3722	0.069*
C34	0.9486 (3)	0.2129 (3)	0.48241 (19)	0.0546 (7)
H34	0.9915	0.2893	0.5163	0.065*
C37	0.8216 (3)	−0.0150 (3)	0.38064 (18)	0.0532 (7)
H37	0.7790	−0.0911	0.3461	0.064*
C23	0.8176 (3)	0.0209 (3)	0.87307 (19)	0.0561 (7)
H23	0.8735	0.0551	0.8377	0.067*
C2	0.4720 (3)	−0.1491 (3)	0.53848 (19)	0.0578 (7)
H2	0.4306	−0.0834	0.5627	0.069*
C3	0.4480 (4)	−0.1994 (3)	0.4516 (2)	0.0665 (9)
H3	0.3917	−0.1674	0.4189	0.080*
C19	0.5667 (6)	−0.1375 (4)	1.0287 (2)	0.0860 (13)
H19	0.5901	−0.1234	1.0862	0.103*
C9	0.8266 (4)	−0.4821 (3)	0.6308 (2)	0.0634 (8)
H9	0.8647	−0.5520	0.6121	0.076*
C21	0.7808 (5)	0.0001 (4)	1.0112 (2)	0.0774 (11)
H21	0.8089	0.0185	1.0685	0.093*
C17	0.4077 (4)	−0.2368 (3)	0.9054 (2)	0.0660 (9)
C10	0.8445 (4)	−0.4207 (3)	0.7137 (2)	0.0625 (8)
H10	0.8948	−0.4486	0.7522	0.075*
O3	0.9376 (3)	0.1389 (3)	0.22532 (15)	0.0832 (8)
N10	0.8849 (3)	0.0551 (3)	0.25539 (16)	0.0626 (7)
O4	0.8363 (4)	−0.0475 (3)	0.21191 (16)	0.1014 (10)
C4	0.5077 (4)	−0.2955 (3)	0.41506 (18)	0.0659 (9)
H4	0.4936	−0.3287	0.3571	0.079*
C7	0.7291 (4)	−0.4929 (3)	0.4848 (2)	0.0706 (9)
H7	0.7677	−0.5612	0.4622	0.085*
C18	0.4481 (6)	−0.2108 (4)	0.9942 (3)	0.0871 (14)
H18	0.3906	−0.2458	1.0285	0.104*
C15	0.2576 (4)	−0.3304 (4)	0.7812 (4)	0.0866 (13)
H15	0.1766	−0.3807	0.7544	0.104*
C16	0.2862 (4)	−0.3115 (4)	0.8657 (3)	0.0862 (13)
H16	0.2244	−0.3485	0.8970	0.103*
N6	0.4741 (3)	0.2393 (2)	0.78229 (17)	0.0612 (7)
C25	0.5024 (3)	0.1317 (3)	0.75123 (17)	0.0502 (7)
C26	0.5794 (3)	0.3316 (3)	0.82375 (18)	0.0535 (7)
C31	0.7151 (4)	0.3199 (3)	0.8274 (2)	0.0640 (8)
H31	0.7387	0.2463	0.7986	0.077*
C30	0.8150 (4)	0.4140 (3)	0.8722 (3)	0.0731 (10)
H30	0.9053	0.4043	0.8742	0.088*
C29	0.7803 (4)	0.5236 (3)	0.9144 (2)	0.0706 (9)
C27	0.5480 (4)	0.4449 (3)	0.8667 (3)	0.0801 (11)
H27	0.4581	0.4561	0.8646	0.096*
N7	0.8870 (5)	0.6246 (4)	0.9598 (3)	0.1013 (12)
C28	0.6476 (5)	0.5385 (4)	0.9115 (3)	0.0856 (12)
H28	0.6253	0.6127	0.9401	0.103*
O5	0.0518 (4)	0.3745 (3)	0.7102 (3)	0.1121 (12)
H5A	0.001 (5)	0.301 (4)	0.681 (3)	0.14 (2)*