x	y	z	Uiso*/Ueq
S1	−0.02012 (4)	0.65156 (4)	0.38514 (3)	0.03475 (15)
O1	−0.12136 (12)	0.56298 (10)	0.26952 (9)	0.0472 (5)
O2	−0.09555 (13)	0.65440 (11)	0.47594 (9)	0.0468 (5)
O3	0.47434 (14)	0.55510 (13)	0.32058 (11)	0.0626 (6)
N1	0.29155 (15)	1.24477 (12)	0.38430 (11)	0.0434 (6)
N2	0.13845 (14)	0.60248 (12)	0.42019 (10)	0.0376 (5)
N3	0.39246 (16)	0.57705 (15)	0.40555 (12)	0.0536 (6)
C1	0.07464 (15)	0.82919 (13)	0.38935 (12)	0.0322 (5)
C2	0.21693 (19)	0.93183 (16)	0.47844 (13)	0.0511 (7)
C3	0.28732 (19)	1.06857 (16)	0.47796 (14)	0.0514 (7)
C4	0.21467 (16)	1.10142 (13)	0.38945 (12)	0.0344 (6)
C5	0.07052 (18)	1.00124 (15)	0.30229 (13)	0.0444 (7)
C6	0.00046 (17)	0.86380 (15)	0.30181 (13)	0.0421 (6)
C7	0.24788 (17)	0.58299 (13)	0.35471 (13)	0.0355 (6)
C8	0.2306 (2)	0.56568 (16)	0.23936 (14)	0.0473 (7)
C9	0.3761 (2)	0.55015 (16)	0.22381 (16)	0.0511 (8)
C10	0.4452 (3)	0.5287 (2)	0.12416 (18)	0.0766 (11)
O4	0.51685 (14)	0.76882 (14)	0.75724 (10)	0.0657 (6)
O5	0.25004 (13)	0.72390 (11)	0.65907 (9)	0.0495 (5)
O6	0.03442 (11)	0.74382 (11)	0.75483 (8)	0.0431 (4)
O7	−0.13539 (17)	0.8490 (2)	0.89544 (14)	0.0980 (10)
O8	−0.12065 (16)	0.7660 (2)	1.03000 (12)	0.0975 (9)
O9	0.46550 (16)	0.90412 (15)	1.25865 (10)	0.0717 (7)
O10	0.66293 (15)	0.90569 (15)	1.17611 (11)	0.0749 (7)
N4	−0.06158 (16)	0.80710 (17)	0.96062 (13)	0.0598 (7)
N5	0.51466 (16)	0.88865 (13)	1.17407 (12)	0.0488 (6)
C11	0.31789 (15)	0.78551 (13)	0.85956 (12)	0.0326 (5)
C12	0.14714 (16)	0.77857 (13)	0.85292 (12)	0.0328 (5)
C13	0.10840 (16)	0.80786 (15)	0.95755 (13)	0.0389 (6)
C14	0.22578 (17)	0.84024 (15)	1.06095 (13)	0.0403 (6)
C15	0.38931 (16)	0.84763 (14)	1.06263 (12)	0.0365 (6)
C16	0.43735 (16)	0.82163 (13)	0.96389 (12)	0.0356 (6)
C17	0.36856 (18)	0.75728 (15)	0.75210 (13)	0.0400 (6)
H1a	0.188848	1.256572	0.342213	0.088 (4)*
H1b	0.353568	1.297412	0.446823	0.088 (4)*
H1c	0.348288	1.238627	0.338232	0.088 (4)*
H2	0.265121	0.908789	0.538567	0.0613*
H2a	0.186499	0.630039	0.50234	0.068 (5)*
H3	0.383907	1.138439	0.537561	0.0617*
H5	0.020222	1.025766	0.243815	0.0533*
H6	−0.096798	0.794538	0.242417	0.0506*
H8	0.139615	0.565054	0.185878	0.0568*
H10a	0.551947	0.608597	0.142286	0.1149*
H10b	0.362955	0.522551	0.058321	0.1149*
H10c	0.46505	0.441064	0.1077	0.1149*
H14	0.194965	0.856742	1.128171	0.0484*
H16	0.549353	0.82833	0.967386	0.0428*
H6a	0.115577	0.727699	0.69023	0.132 (9)*