x	y	z	Uiso*/Ueq
S1A	0.57912 (8)	0.63040 (5)	0.90873 (4)	0.05608 (17)
O1A	0.5956 (2)	1.07513 (14)	0.82938 (11)	0.0598 (4)
O2A	0.77241 (18)	1.13164 (13)	0.99478 (10)	0.0469 (3)
N1A	0.4678 (3)	0.7995 (2)	0.76263 (15)	0.0611 (5)
H1AA	0.478 (4)	0.878 (3)	0.741 (2)	0.074 (8)*
H1AB	0.420 (4)	0.728 (3)	0.718 (2)	0.067 (7)*
C1A	0.5667 (3)	0.79097 (18)	0.86174 (15)	0.0434 (4)
C2A	0.6638 (2)	0.89702 (17)	0.93919 (13)	0.0394 (4)
C3A	0.7481 (2)	0.84624 (19)	1.03824 (14)	0.0429 (4)
C4A	0.7121 (3)	0.7062 (2)	1.03180 (17)	0.0535 (5)
H4AA	0.754788	0.655468	1.088165	0.064*
C5A	0.8619 (3)	0.9325 (2)	1.13746 (16)	0.0580 (5)
H5AA	0.899385	0.872987	1.191859	0.087*
H5AB	0.790195	0.990278	1.160998	0.087*
H5AC	0.969117	0.989811	1.123237	0.087*
C6A	0.6715 (2)	1.03954 (17)	0.91494 (14)	0.0400 (4)
C7A	0.7865 (3)	1.27623 (18)	0.97679 (16)	0.0501 (4)
H7AA	0.664931	1.297311	0.957187	0.060*
H7AB	0.845948	1.299239	0.919940	0.060*
C8A	0.8989 (3)	1.3566 (2)	1.07851 (18)	0.0607 (5)
H8AA	0.910249	1.454059	1.070404	0.091*
H8AB	1.019220	1.335704	1.096380	0.091*
H8AC	0.839418	1.331695	1.134225	0.091*
S1B	0.35148 (12)	0.08122 (6)	0.57884 (5)	0.0809 (3)
O1B	0.3541 (2)	0.53445 (14)	0.63773 (11)	0.0620 (4)
O2B	0.2205 (2)	0.52307 (14)	0.46392 (11)	0.0538 (3)
N1B	0.4376 (3)	0.2976 (2)	0.72151 (14)	0.0639 (5)
H1BA	0.451 (3)	0.381 (3)	0.7357 (18)	0.057 (7)*
H1BB	0.484 (4)	0.242 (3)	0.765 (2)	0.076 (8)*
C1B	0.3661 (3)	0.25098 (19)	0.61927 (15)	0.0474 (4)
C2B	0.2967 (3)	0.32322 (18)	0.53404 (13)	0.0425 (4)
C3B	0.2320 (3)	0.2374 (2)	0.43493 (16)	0.0564 (5)
C4B	0.2549 (5)	0.1078 (3)	0.4495 (2)	0.0824 (8)
H4BA	0.221258	0.038177	0.394211	0.099*
C5B	0.1488 (4)	0.2818 (3)	0.32835 (17)	0.0748 (7)
H5BA	0.121058	0.205434	0.275478	0.112*
H5BB	0.234517	0.357479	0.311217	0.112*
H5BC	0.037419	0.311113	0.329922	0.112*
C6B	0.2961 (3)	0.46767 (18)	0.55163 (14)	0.0424 (4)
C7B	0.2082 (3)	0.6659 (2)	0.47361 (19)	0.0609 (5)
H7BA	0.330234	0.725322	0.498848	0.073*
H7BB	0.136218	0.679395	0.523229	0.073*
C8B	0.1157 (4)	0.6988 (3)	0.3643 (2)	0.0809 (8)
H8BA	0.089268	0.789501	0.367982	0.121*
H8BB	0.002774	0.631283	0.336545	0.121*
H8BC	0.195895	0.696714	0.318332	0.121*