x	y	z	Uiso*/Ueq
Cl1A	1.21736 (4)	0.45726 (3)	0.22883 (2)	0.01818 (8)
S1A	0.64010 (4)	0.06700 (3)	0.62771 (2)	0.01601 (8)
O1A	0.86524 (11)	0.39664 (9)	0.58596 (7)	0.01734 (18)
N1A	0.76021 (12)	0.24848 (10)	0.59831 (8)	0.01229 (18)
N2A	0.83523 (12)	0.14265 (10)	0.47568 (8)	0.01408 (19)
C1A	0.75050 (13)	0.15750 (11)	0.56400 (9)	0.0123 (2)
C2A	0.92745 (14)	0.21423 (11)	0.41665 (9)	0.0128 (2)
C3A	1.00745 (15)	0.19578 (12)	0.32437 (9)	0.0164 (2)
H3AA	1.0006	0.1340	0.3018	0.020*
C4A	1.09685 (15)	0.27023 (12)	0.26702 (9)	0.0164 (2)
H4AA	1.1502	0.2589	0.2054	0.020*
C5A	1.10681 (14)	0.36297 (12)	0.30205 (9)	0.0141 (2)
C6A	1.03064 (14)	0.38072 (11)	0.39387 (9)	0.0133 (2)
H6AA	1.0401	0.4409	0.4171	0.016*
C7A	0.93900 (13)	0.30616 (11)	0.45095 (9)	0.01200 (19)
C8A	0.85589 (13)	0.32317 (11)	0.54824 (9)	0.0125 (2)
C9A	0.67265 (14)	0.26733 (12)	0.69550 (9)	0.0138 (2)
H9AA	0.5740	0.2601	0.7028	0.017*
H9AB	0.6586	0.3522	0.6970	0.017*
C10A	0.75055 (14)	0.17075 (12)	0.78315 (9)	0.0169 (2)
H10A	0.7604	0.0857	0.7844	0.020*
H10B	0.8506	0.1755	0.7756	0.020*
C11A	0.65870 (14)	0.19892 (12)	0.87884 (9)	0.0150 (2)
C12A	0.53451 (15)	0.15680 (14)	0.92461 (9)	0.0191 (2)
H12A	0.5123	0.1056	0.8983	0.023*
C13A	0.44334 (17)	0.19063 (17)	1.00936 (11)	0.0267 (3)
H13A	0.3607	0.1622	1.0393	0.032*
C14A	0.47607 (19)	0.26694 (18)	1.04905 (12)	0.0303 (3)
H14A	0.4146	0.2906	1.1051	0.036*
C15A	0.60068 (19)	0.30787 (16)	1.00488 (11)	0.0269 (3)
H15A	0.6230	0.3586	1.0316	0.032*
C16A	0.69220 (16)	0.27324 (13)	0.92078 (10)	0.0199 (2)
H16A	0.7765	0.2998	0.8922	0.024*
Cl1B	0.31242 (4)	0.52954 (3)	0.78230 (3)	0.02325 (9)
S1B	0.85424 (4)	0.93740 (3)	0.35950 (2)	0.01609 (8)
O1B	0.65436 (11)	0.58631 (9)	0.41816 (7)	0.01808 (18)
N1B	0.74945 (12)	0.74343 (10)	0.39853 (8)	0.01263 (18)
N2B	0.66378 (12)	0.86059 (10)	0.51420 (8)	0.01375 (19)
C1B	0.75060 (13)	0.84213 (11)	0.42740 (9)	0.0122 (2)
C2B	0.57691 (14)	0.78576 (11)	0.57675 (9)	0.0128 (2)
C3B	0.49338 (15)	0.81019 (12)	0.66673 (9)	0.0162 (2)
H3BA	0.4937	0.8780	0.6849	0.019*
C4B	0.41030 (15)	0.73193 (13)	0.72824 (10)	0.0170 (2)
H4BA	0.3545	0.7469	0.7883	0.020*
C5B	0.41017 (14)	0.63046 (12)	0.70021 (9)	0.0158 (2)
C6B	0.48832 (14)	0.60771 (12)	0.60999 (9)	0.0144 (2)
H6BA	0.4846	0.5418	0.5909	0.017*
C7B	0.57308 (13)	0.68628 (11)	0.54816 (9)	0.0127 (2)
C8B	0.65788 (14)	0.66541 (11)	0.45237 (9)	0.0131 (2)
C9B	0.83828 (14)	0.72078 (12)	0.30298 (9)	0.0142 (2)
H9BA	0.8687	0.6312	0.3080	0.017*
H9BB	0.9287	0.7440	0.2893	0.017*
C10B	0.74844 (14)	0.79720 (13)	0.21685 (9)	0.0186 (2)
H10C	0.6655	0.7659	0.2260	0.022*
H10D	0.7064	0.8854	0.2176	0.022*
C11B	0.84466 (14)	0.78834 (12)	0.11768 (9)	0.0156 (2)
C12B	0.86257 (16)	0.89791 (13)	0.04431 (10)	0.0201 (2)
H12B	0.8146	0.9767	0.0569	0.024*
C13B	0.95240 (17)	0.88930 (15)	−0.04784 (10)	0.0245 (3)
H13B	0.9635	0.9625	−0.0962	0.029*
C14B	1.02463 (16)	0.77295 (16)	−0.06746 (10)	0.0247 (3)
H14B	1.0840	0.7679	−0.1289	0.030*
C15B	1.00853 (17)	0.66309 (15)	0.00491 (11)	0.0237 (3)
H15B	1.0576	0.5846	−0.0080	0.028*
C16B	0.91888 (15)	0.67108 (13)	0.09662 (10)	0.0193 (2)
H16B	0.9081	0.5975	0.1446	0.023*
H2NA	0.837 (3)	0.088 (2)	0.4533 (17)	0.028 (5)*
H2NB	0.657 (2)	0.926 (2)	0.5359 (16)	0.026 (5)*