x	y	z	Uiso*/Ueq	Occ. (<1)
S1	0.45709 (2)	0.29846 (3)	0.22568 (2)	0.02637 (11)
F1	0.81951 (11)	0.85095 (10)	0.24433 (11)	0.0709 (4)
O1	0.93592 (8)	0.24379 (11)	0.47803 (8)	0.0365 (3)
O2	0.88439 (7)	0.41670 (10)	0.52684 (7)	0.0294 (2)
O3	0.55706 (8)	0.71812 (10)	0.54550 (7)	0.0307 (2)
O4	0.17420 (9)	1.04606 (11)	0.46165 (8)	0.0390 (3)
N1	0.64445 (8)	0.22708 (11)	0.27415 (8)	0.0220 (2)
N2	0.60560 (8)	0.39869 (10)	0.34918 (8)	0.0200 (2)
N3	0.54560 (8)	0.55654 (10)	0.41266 (8)	0.0206 (2)
N4	0.46512 (8)	0.62737 (11)	0.41154 (8)	0.0209 (2)
H4	0.4182 (14)	0.6419 (17)	0.3587 (13)	0.032 (5)*
C1	0.70873 (9)	0.43284 (13)	0.40035 (10)	0.0213 (3)
H1	0.7122 (12)	0.4512 (15)	0.4634 (11)	0.022 (4)*
C2	0.77324 (10)	0.32264 (13)	0.39918 (10)	0.0224 (3)
C3	0.74171 (10)	0.23233 (13)	0.33574 (10)	0.0224 (3)
C4	0.58287 (10)	0.30597 (12)	0.28731 (9)	0.0207 (3)
C5	0.73684 (9)	0.54708 (13)	0.35807 (10)	0.0233 (3)
C6	0.76870 (10)	0.65331 (14)	0.40974 (11)	0.0291 (3)
H6	0.7696 (14)	0.6545 (17)	0.4744 (13)	0.035 (5)*
C7	0.79756 (12)	0.75620 (15)	0.37183 (14)	0.0365 (4)
H7	0.8223 (15)	0.829 (2)	0.4092 (14)	0.048 (6)*
C8	0.79149 (13)	0.75033 (15)	0.28209 (14)	0.0410 (4)
C9	0.75793 (15)	0.64862 (16)	0.22793 (14)	0.0420 (4)
H9	0.7526 (16)	0.651 (2)	0.1629 (15)	0.050 (6)*
C10	0.73134 (12)	0.54590 (14)	0.26730 (11)	0.0314 (3)
H10	0.7067 (14)	0.4745 (19)	0.2304 (13)	0.038 (5)*
C11	0.87186 (10)	0.32007 (13)	0.46924 (10)	0.0253 (3)
C12	0.97996 (11)	0.42561 (17)	0.59855 (11)	0.0331 (3)
H12A	0.9878 (15)	0.353 (2)	0.6404 (14)	0.045 (5)*
H12B	1.0316 (14)	0.4216 (17)	0.5703 (12)	0.034 (5)*
H12C	0.9642 (16)	0.618 (2)	0.6014 (15)	0.052 (6)*
C13	0.98133 (13)	0.5454 (2)	0.64668 (13)	0.0412 (4)
H13A	1.0491 (17)	0.557 (2)	0.6929 (15)	0.055 (6)*
H13B	0.9329 (18)	0.545 (2)	0.6776 (16)	0.060 (7)*
C14	0.80354 (11)	0.12659 (15)	0.32406 (12)	0.0287 (3)
H14A	0.8649 (17)	0.155 (2)	0.3186 (15)	0.052 (6)*
H14B	0.8240 (16)	0.074 (2)	0.3764 (16)	0.054 (6)*
H14C	0.7663 (16)	0.079 (2)	0.2696 (15)	0.046 (5)*
C15	0.52713 (9)	0.47098 (12)	0.35314 (9)	0.0202 (3)
C16	0.43099 (10)	0.43208 (14)	0.28344 (10)	0.0260 (3)
H16A	0.4032 (14)	0.4974 (19)	0.2389 (13)	0.040 (5)*
H16B	0.3839 (15)	0.4099 (18)	0.3141 (14)	0.043 (5)*
C17	0.48023 (10)	0.71162 (13)	0.48039 (9)	0.0223 (3)
C18	0.39469 (10)	0.79431 (13)	0.47152 (9)	0.0230 (3)
C19	0.41359 (12)	0.90278 (14)	0.52329 (10)	0.0289 (3)
H19	0.4793 (15)	0.9188 (17)	0.5629 (13)	0.036 (5)*
C20	0.33869 (12)	0.98472 (15)	0.51747 (11)	0.0331 (3)
H20	0.3508 (16)	1.062 (2)	0.5510 (15)	0.053 (6)*
C21	0.24267 (11)	0.95909 (15)	0.46124 (10)	0.0294 (3)
C22	0.22193 (11)	0.85134 (15)	0.40997 (10)	0.0287 (3)
H22	0.1533 (15)	0.8314 (18)	0.3709 (13)	0.037 (5)*
C23	0.29829 (11)	0.76979 (14)	0.41584 (10)	0.0260 (3)
H23	0.2829 (13)	0.6946 (17)	0.3814 (12)	0.031 (5)*
C24	0.07367 (14)	1.0253 (2)	0.40748 (14)	0.0456 (5)
H24A	0.0502 (16)	0.946 (2)	0.4247 (15)	0.054 (6)*
H24B	0.0650 (16)	1.025 (2)	0.3411 (16)	0.053 (6)*
H24C	0.0390 (16)	1.093 (2)	0.4203 (14)	0.048 (6)*
O5	0.7191 (3)	0.9508 (5)	0.0994 (3)	0.0378 (10)	0.25
H5A	0.766259	0.901704	0.130626	0.057*	0.25
H5B	0.667996	0.902764	0.079072	0.057*	0.25