x	y	z	Uiso*/Ueq	Occ. (<1)
O2B	0.8426 (4)	0.56153 (13)	0.78929 (15)	0.0433 (8)	0.720
O11B	0.5084 (3)	0.68879 (9)	0.59293 (13)	0.0433 (6)
O12B	0.5450 (3)	0.64525 (10)	0.73596 (13)	0.0522 (7)
O31B	1.1116 (4)	0.45700 (12)	0.81707 (17)	0.0819 (10)
O32B	1.4080 (4)	0.47261 (13)	0.75765 (15)	0.0761 (9)
O51B	1.3286 (3)	0.55867 (11)	0.44585 (14)	0.0594 (7)
O52B	1.0707 (4)	0.63206 (11)	0.39870 (14)	0.0670 (8)
N3B	1.2118 (4)	0.48306 (12)	0.76028 (16)	0.0467 (8)
N5B	1.1654 (3)	0.59169 (11)	0.45698 (15)	0.0407 (7)
C1B	0.8002 (3)	0.60950 (11)	0.63899 (16)	0.0268 (7)
C2B	0.9062 (3)	0.56600 (12)	0.70947 (16)	0.0297 (7)
C3B	1.0956 (4)	0.53052 (12)	0.69146 (16)	0.0310 (7)
C4B	1.1816 (3)	0.53943 (11)	0.61041 (16)	0.0308 (7)
C5B	1.0735 (3)	0.58226 (11)	0.54278 (15)	0.0276 (7)
C6B	0.8810 (3)	0.61671 (11)	0.55531 (15)	0.0263 (7)
C11B	0.6029 (4)	0.65080 (12)	0.65595 (19)	0.0346 (8)
O21B	0.7762 (10)	0.6571 (3)	0.4915 (5)	0.052 (3)	0.280
N1A	−0.1524 (3)	0.82026 (10)	0.63820 (13)	0.0293 (6)
N8A	0.1714 (3)	0.76040 (11)	0.67301 (14)	0.0369 (7)
C2A	−0.3262 (3)	0.85087 (13)	0.56984 (17)	0.0357 (8)
C3A	−0.2606 (4)	0.91805 (13)	0.52684 (18)	0.0397 (8)
C4A	−0.1188 (4)	0.90797 (14)	0.45044 (17)	0.0409 (8)
C5A	0.0934 (4)	0.86814 (13)	0.48033 (17)	0.0393 (9)
C6A	0.0612 (4)	0.79368 (13)	0.51409 (16)	0.0340 (8)
C7A	0.0226 (3)	0.79083 (11)	0.61294 (15)	0.0265 (7)
C9A	0.1399 (9)	0.7478 (2)	0.7696 (4)	0.0366 (18)	0.686 (4)
C10A	0.0234 (6)	0.8111 (2)	0.8005 (3)	0.0379 (11)	0.686 (4)
C11A	−0.1871 (4)	0.82349 (13)	0.73612 (16)	0.0363 (8)
C13A	0.189 (2)	0.7738 (7)	0.7752 (11)	0.0366 (18)	0.314 (4)
C12A	−0.0464 (13)	0.7704 (5)	0.7958 (6)	0.0379 (11)	0.314 (4)
H4B	1.31350	0.51650	0.60110	0.0370*
H6B	0.80240	0.64380	0.50700	0.0320*	0.720
H2B	0.73870	0.58950	0.79190	0.0650*	0.720
H21B	0.66080	0.67200	0.50930	0.0770*	0.280
H61B	0.85460	0.56120	0.76770	0.0360*	0.280
H8A	0.280 (3)	0.7394 (11)	0.6508 (15)	0.0320*
H10A	−0.00890	0.80380	0.86450	0.0460*	0.686 (4)
H21A	−0.45670	0.85990	0.60060	0.0430*
H22A	−0.36910	0.81640	0.51980	0.0430*
H31A	−0.17940	0.94750	0.57630	0.0480*
H32A	−0.39530	0.94360	0.50080	0.0480*
H41A	−0.20570	0.88270	0.39820	0.0490*
H42A	−0.08210	0.95440	0.42720	0.0490*
H51A	0.18300	0.89440	0.53080	0.0470*
H52A	0.17720	0.86610	0.42730	0.0470*
H61A	−0.06570	0.77230	0.47440	0.0410*
H62A	0.19310	0.76570	0.50720	0.0410*
H91A	0.28350	0.74140	0.80920	0.0440*	0.686 (4)
H92A	0.05040	0.70540	0.77390	0.0440*	0.686 (4)
H11A	0.11950	0.85260	0.80070	0.0460*	0.686 (4)
H12A	−0.29640	0.78780	0.74760	0.0440*	0.686 (4)
H13A	−0.24650	0.86990	0.74910	0.0440*	0.686 (4)
H14A	−0.10610	0.72290	0.78230	0.0460*	0.314 (4)
H15A	−0.04950	0.78040	0.86230	0.0460*	0.314 (4)
H16A	0.25340	0.82040	0.79120	0.0440*	0.314 (4)
H17A	0.28080	0.73790	0.81100	0.0440*	0.314 (4)
H18A	−0.34390	0.81460	0.74010	0.0440*	0.314 (4)
H19A	−0.15090	0.87100	0.76060	0.0440*	0.314 (4)