x	y	z	Uiso*/Ueq	Occ. (<1)
S1	−0.08268 (3)	0.68046 (3)	0.60331 (2)	0.01536 (10)
F1	0.03672 (12)	0.08285 (8)	0.60261 (3)	0.0324 (2)
F2	0.22478 (16)	0.13678 (9)	0.55695 (5)	0.0501 (3)
F3	0.29014 (14)	0.14333 (10)	0.62756 (5)	0.0539 (3)
O1	−0.16062 (12)	0.70213 (9)	0.64434 (3)	0.0216 (2)
O2	−0.17402 (12)	0.70996 (9)	0.56162 (3)	0.0225 (2)
C1	0.48862 (15)	0.49339 (11)	0.57852 (4)	0.0171 (2)
H1	0.496038	0.479440	0.547665	0.021*
C2	0.55556 (16)	0.40746 (11)	0.60859 (4)	0.0187 (2)
H2	0.607100	0.336071	0.597644	0.022*
C3	0.54990 (15)	0.42217 (11)	0.65483 (4)	0.0172 (2)
C3A	0.47063 (15)	0.52723 (11)	0.66816 (4)	0.0156 (2)
C4	0.44151 (15)	0.58212 (12)	0.71373 (4)	0.0171 (2)
H4	0.444763	0.524274	0.739264	0.021*
C5	0.56803 (16)	0.69088 (11)	0.71852 (4)	0.0165 (2)
C6	0.50225 (15)	0.77414 (11)	0.68956 (4)	0.0149 (2)
C6A	0.33411 (15)	0.71572 (11)	0.66698 (4)	0.0141 (2)
C7	0.18668 (15)	0.79745 (11)	0.64834 (4)	0.0158 (2)
H7A	0.096592	0.803245	0.670287	0.019*
H7B	0.234316	0.879823	0.644221	0.019*
N8	0.10246 (13)	0.75554 (9)	0.60592 (3)	0.0148 (2)
C8A	0.19749 (15)	0.76703 (11)	0.56657 (4)	0.0144 (2)
C9	0.14221 (16)	0.85518 (12)	0.53567 (4)	0.0186 (2)
H9	0.041411	0.902688	0.540357	0.022*
C10	0.23335 (17)	0.87407 (12)	0.49810 (4)	0.0217 (3)
H10	0.195141	0.934034	0.477015	0.026*
C11	0.38118 (17)	0.80441 (12)	0.49158 (4)	0.0202 (3)
H11	0.445235	0.817581	0.466155	0.024*
C12	0.43538 (16)	0.71573 (12)	0.52212 (4)	0.0171 (2)
H12	0.535760	0.668175	0.517074	0.020*
C12A	0.34499 (15)	0.69485 (11)	0.56029 (4)	0.0143 (2)
C12B	0.40963 (14)	0.60123 (11)	0.59260 (4)	0.0144 (2)
C12C	0.40171 (14)	0.61400 (11)	0.63793 (4)	0.0137 (2)
O13	0.27786 (11)	0.64524 (8)	0.70381 (3)	0.01706 (19)
C13	0.6235 (19)	0.3275 (12)	0.6870 (4)	0.0238 (3)	0.53 (2)
H13A	0.732679	0.294903	0.676576	0.036*	0.53 (2)
H13B	0.538176	0.261703	0.689067	0.036*	0.53 (2)
H13C	0.647483	0.364271	0.716356	0.036*	0.53 (2)
C13'	0.625 (2)	0.3275 (13)	0.6867 (5)	0.0238 (3)	0.47 (2)
H13D	0.747394	0.348027	0.695799	0.036*	0.47 (2)
H13E	0.621140	0.248114	0.672104	0.036*	0.47 (2)
H13F	0.556513	0.324858	0.712874	0.036*	0.47 (2)
C14	0.74252 (17)	0.68539 (12)	0.74318 (4)	0.0187 (3)
O14	0.82551 (14)	0.77048 (10)	0.75805 (4)	0.0298 (2)
O15	0.79316 (12)	0.56938 (9)	0.74709 (3)	0.0221 (2)
C15	0.96586 (17)	0.54877 (14)	0.76935 (5)	0.0252 (3)
H15A	1.051895	0.601521	0.756353	0.038*
H15B	0.999568	0.463854	0.765660	0.038*
H15C	0.962354	0.567077	0.801032	0.038*
C16	0.58807 (15)	0.88141 (11)	0.67119 (4)	0.0160 (2)
O16	0.68066 (13)	0.95432 (9)	0.69113 (3)	0.0247 (2)
O17	0.54422 (11)	0.88538 (8)	0.62730 (3)	0.01773 (19)
C17	0.63324 (19)	0.97498 (13)	0.60257 (5)	0.0244 (3)
H17A	0.585829	0.974193	0.571579	0.037*
H17B	0.759006	0.956514	0.603902	0.037*
H17C	0.615553	1.055289	0.615390	0.037*
C18	−0.02522 (15)	0.52580 (11)	0.60113 (4)	0.0161 (2)
C19	−0.01841 (17)	0.47033 (12)	0.56005 (4)	0.0213 (3)
H19	−0.055255	0.512804	0.533666	0.026*
C20	0.04285 (18)	0.35202 (13)	0.55788 (5)	0.0241 (3)
H20	0.049166	0.312688	0.530058	0.029*
C21	0.09484 (17)	0.29210 (12)	0.59721 (5)	0.0220 (3)
C22	0.08252 (17)	0.34703 (12)	0.63835 (5)	0.0224 (3)
H22	0.115329	0.303757	0.664827	0.027*
C23	0.02216 (17)	0.46516 (12)	0.64049 (4)	0.0195 (3)
H23	0.013327	0.503979	0.668321	0.023*
C24	0.16202 (19)	0.16488 (13)	0.59579 (6)	0.0296 (3)