x	y	z	Uiso*/Ueq
C1	0.7839 (2)	0.3222 (6)	0.62459 (18)	0.0436 (13)
H1	0.8208	0.2673	0.6237	0.052*
C2	0.7751 (2)	0.3328 (6)	0.67284 (18)	0.0517 (14)
H2	0.8049	0.2840	0.7031	0.062*
C3	0.7218 (3)	0.4161 (6)	0.67451 (18)	0.0493 (14)
H3	0.7151	0.4250	0.7062	0.059*
C4	0.6774 (2)	0.4880 (5)	0.62896 (18)	0.0370 (12)
C5	0.6891 (2)	0.4700 (5)	0.58208 (17)	0.0341 (12)
C6	0.6429 (2)	0.5362 (5)	0.53295 (18)	0.0340 (12)
C7	0.5577 (3)	0.6533 (6)	0.43876 (19)	0.0543 (15)
H7	0.5297	0.6911	0.4059	0.065*
C8	0.5446 (2)	0.6859 (6)	0.48274 (19)	0.0478 (14)
H8	0.5078	0.7473	0.4805	0.057*
C9	0.6132 (3)	0.5630 (6)	0.44341 (19)	0.0479 (14)
H9	0.6210	0.5401	0.4128	0.058*
C10	0.5871 (2)	0.6262 (5)	0.53116 (18)	0.0350 (12)
C11	0.5787 (2)	0.6459 (5)	0.58042 (17)	0.0348 (12)
C12	0.6213 (2)	0.5789 (5)	0.62744 (18)	0.0386 (13)
C13	0.5485 (3)	0.7048 (6)	0.64667 (18)	0.0405 (13)
C14	0.5122 (2)	0.7806 (6)	0.67659 (18)	0.0411 (13)
C15	0.5311 (2)	0.7421 (6)	0.72934 (19)	0.0513 (14)
H15	0.5663	0.6719	0.7453	0.062*
C16	0.4966 (3)	0.8096 (6)	0.7584 (2)	0.0570 (15)
H16	0.5087	0.7800	0.7937	0.068*
C17	0.4303 (2)	0.9544 (6)	0.6870 (2)	0.0531 (15)
H17	0.3963	1.0289	0.6721	0.064*
C18	0.4614 (2)	0.8892 (6)	0.65543 (19)	0.0475 (14)
H18	0.4479	0.9189	0.6201	0.057*
C19	0.7020 (3)	0.2939 (6)	0.3780 (2)	0.0560 (15)
H19	0.6655	0.2432	0.3812	0.067*
C20	0.7083 (3)	0.2884 (7)	0.3291 (2)	0.0684 (18)
H20	0.6764	0.2379	0.3004	0.082*
C21	0.7624 (3)	0.3590 (7)	0.32447 (19)	0.0704 (18)
H21	0.7685	0.3539	0.2925	0.084*
C22	0.8081 (3)	0.4382 (6)	0.36705 (19)	0.0450 (14)
C23	0.7967 (2)	0.4395 (5)	0.41476 (18)	0.0361 (12)
C24	0.8437 (2)	0.5203 (5)	0.46088 (18)	0.0347 (12)
C25	0.9006 (2)	0.5974 (5)	0.45968 (19)	0.0366 (12)
C26	0.8698 (3)	0.5916 (6)	0.5475 (2)	0.0563 (16)
H26	0.8601	0.5896	0.5779	0.068*
C27	0.9269 (3)	0.6722 (6)	0.54986 (19)	0.0594 (16)
H27	0.9539	0.7235	0.5807	0.071*
C28	0.9424 (2)	0.6740 (6)	0.50568 (19)	0.0545 (15)
H28	0.9805	0.7260	0.5062	0.065*
C29	0.9102 (2)	0.5912 (6)	0.41070 (19)	0.0389 (13)
C30	0.8663 (3)	0.5148 (6)	0.36690 (19)	0.0453 (14)
C31	0.9408 (3)	0.6143 (6)	0.3431 (2)	0.0475 (14)
C32	0.9772 (3)	0.6646 (6)	0.3097 (2)	0.0489 (14)
C33	0.9535 (3)	0.6121 (6)	0.2575 (2)	0.0639 (17)
H33	0.9162	0.5463	0.2447	0.077*
C34	0.9863 (3)	0.6595 (7)	0.2252 (2)	0.0756 (19)
H34	0.9710	0.6210	0.1907	0.091*
C35	1.0604 (3)	0.8106 (6)	0.2904 (2)	0.0579 (15)
H35	1.0967	0.8800	0.3014	0.070*
C36	1.0314 (3)	0.7674 (6)	0.3266 (2)	0.0561 (15)
H36	1.0481	0.8067	0.3610	0.067*
C37	0.6338 (3)	0.1061 (6)	0.50156 (19)	0.0403 (13)
C38	0.6636 (2)	0.0379 (5)	0.55716 (18)	0.0349 (12)
C39	0.7235 (2)	−0.0407 (5)	0.57444 (18)	0.0434 (13)
H39	0.7468	−0.0535	0.5522	0.052*
C40	0.7486 (2)	−0.1003 (5)	0.6254 (2)	0.0423 (13)
C41	0.7181 (3)	−0.0741 (5)	0.66075 (19)	0.0472 (14)
H41	0.7361	−0.1155	0.6949	0.057*
C42	0.6608 (2)	0.0137 (6)	0.64488 (19)	0.0407 (13)
C43	0.6323 (2)	0.0650 (5)	0.59284 (17)	0.0351 (12)
H43	0.5917	0.1182	0.5815	0.042*
C44	0.8736 (3)	0.1424 (6)	0.5129 (2)	0.0470 (14)
C45	0.8530 (2)	0.0571 (6)	0.4602 (2)	0.0439 (14)
C46	0.7958 (2)	−0.0331 (6)	0.4413 (2)	0.0482 (14)
H46	0.7697	−0.0455	0.4614	0.058*
C47	0.8125 (3)	−0.0839 (6)	0.3595 (2)	0.0495 (14)
H47	0.7985	−0.1312	0.3262	0.059*
C48	0.7772 (3)	−0.1052 (6)	0.3921 (2)	0.0477 (14)
C49	0.8687 (3)	0.0087 (6)	0.3778 (2)	0.0494 (14)
C50	0.8901 (2)	0.0752 (6)	0.42842 (19)	0.0470 (14)
H50	0.9297	0.1325	0.4412	0.056*
C51	0.6322 (3)	0.0621 (6)	0.6850 (2)	0.0479 (14)
C52	0.9079 (3)	0.0441 (7)	0.3441 (2)	0.0551 (16)
N1	0.65586 (18)	0.5075 (4)	0.48869 (15)	0.0378 (10)
N2	0.74218 (19)	0.3867 (4)	0.58012 (14)	0.0347 (10)
N3	0.6016 (2)	0.6158 (5)	0.66824 (14)	0.0434 (11)
N4	0.53191 (18)	0.7276 (4)	0.59346 (14)	0.0393 (10)
H4A	0.4989	0.7820	0.5725	0.047*
N5	0.4470 (2)	0.9149 (5)	0.73788 (16)	0.0523 (12)
N6	0.74414 (19)	0.3661 (5)	0.41993 (15)	0.0408 (10)
N7	0.82803 (19)	0.5173 (5)	0.50504 (15)	0.0428 (11)
N8	0.8854 (2)	0.5313 (5)	0.32436 (15)	0.0537 (12)
N9	0.95818 (18)	0.6546 (4)	0.39486 (15)	0.0455 (11)
H7A	0.9924	0.7090	0.4139	0.055*
N10	1.0382 (2)	0.7566 (6)	0.24085 (18)	0.0602 (13)
N11	0.8121 (2)	−0.1868 (6)	0.64354 (19)	0.0646 (14)
N12	0.7165 (2)	−0.2004 (6)	0.3723 (2)	0.0667 (14)
O1	0.82859 (16)	0.1734 (4)	0.53061 (12)	0.0502 (9)
O2	0.93284 (18)	0.1821 (4)	0.53423 (13)	0.0639 (11)
O3	0.9592 (2)	0.1171 (5)	0.36019 (15)	0.0900 (15)
O4	0.87938 (17)	−0.0072 (4)	0.29559 (14)	0.0705 (11)
H4	0.9027	0.0147	0.2788	0.106*
O5	0.57270 (17)	0.1200 (4)	0.48219 (12)	0.0573 (10)
O6	0.67361 (16)	0.1446 (3)	0.47948 (11)	0.0446 (9)
O7	0.58037 (18)	0.1549 (4)	0.66617 (13)	0.0674 (11)
H9A	0.5669	0.1773	0.6897	0.101*
O8	0.65787 (18)	0.0239 (5)	0.73147 (14)	0.0726 (12)
O9	0.8533 (2)	−0.1451 (6)	0.62548 (17)	0.1025 (16)
O10	0.8222 (2)	−0.2911 (5)	0.67712 (18)	0.1011 (16)
O11	0.6839 (2)	−0.2126 (5)	0.39982 (18)	0.1066 (16)
O12	0.6987 (2)	−0.2588 (6)	0.32858 (19)	0.1047 (17)
Mn1	0.74582 (4)	0.33502 (8)	0.50134 (3)	0.0390 (2)