x	y	z	Uiso*/Ueq	Occ. (<1)
O11B	−0.0061 (2)	0.68797 (7)	0.41185 (9)	0.0408 (4)
O12B	−0.0380 (2)	0.64765 (8)	0.26602 (10)	0.0556 (5)
O31B	−0.5921 (3)	0.46963 (8)	0.17213 (10)	0.0567 (5)
O32B	−0.8865 (3)	0.46500 (9)	0.24178 (11)	0.0703 (6)
O51B	−0.8471 (2)	0.55899 (8)	0.55381 (10)	0.0514 (5)
O52B	−0.5787 (3)	0.62813 (8)	0.60351 (10)	0.0576 (6)
N3B	−0.6966 (3)	0.48464 (8)	0.23584 (11)	0.0416 (5)
N5B	−0.6770 (3)	0.59011 (8)	0.54409 (10)	0.0363 (5)
C1B	−0.2967 (3)	0.60944 (8)	0.36270 (11)	0.0264 (5)
C2B	−0.3972 (3)	0.56537 (8)	0.29419 (11)	0.0288 (5)
C3B	−0.5892 (3)	0.53100 (8)	0.30888 (11)	0.0289 (5)
C4B	−0.6880 (3)	0.53844 (8)	0.38905 (12)	0.0293 (5)
C5B	−0.5807 (3)	0.58130 (8)	0.45649 (11)	0.0265 (5)
C6B	−0.3873 (3)	0.61637 (8)	0.44556 (11)	0.0269 (5)
C11B	−0.0952 (3)	0.65174 (9)	0.34516 (13)	0.0327 (5)
N1A	0.6514 (2)	0.81846 (7)	0.36517 (9)	0.0288 (4)
N8A	0.3270 (3)	0.75625 (8)	0.33371 (10)	0.0364 (5)
C2A	0.8281 (3)	0.85009 (9)	0.43221 (13)	0.0350 (6)
C3A	0.7557 (3)	0.91508 (9)	0.47621 (13)	0.0378 (6)
C4A	0.6172 (3)	0.90383 (10)	0.55531 (13)	0.0390 (6)
C5A	0.4046 (3)	0.86226 (10)	0.52884 (13)	0.0383 (6)
C6A	0.4433 (3)	0.78996 (9)	0.49381 (11)	0.0334 (5)
C7A	0.4773 (3)	0.78797 (8)	0.39270 (11)	0.0262 (5)
C9A	0.3565 (6)	0.74500 (17)	0.2353 (2)	0.0357 (10)	0.735 (3)
C10A	0.4681 (5)	0.80757 (15)	0.20241 (17)	0.0364 (8)	0.735 (3)
C11A	0.6839 (3)	0.82115 (10)	0.26593 (12)	0.0364 (6)
C13A	0.3000 (16)	0.7705 (5)	0.2305 (8)	0.0357 (10)	0.265 (3)
C12A	0.5368 (12)	0.7669 (4)	0.2074 (5)	0.0364 (8)	0.265 (3)
H2B	−0.33470	0.55890	0.23780	0.0350*
H4B	−0.82260	0.51530	0.39720	0.0350*
H6B	−0.31700	0.64500	0.49430	0.0320*
H8A	0.217 (3)	0.7342 (9)	0.3570 (12)	0.0440*
H10A	0.49920	0.80070	0.13730	0.0440*	0.735 (3)
H21A	0.95830	0.86030	0.39950	0.0420*
H22A	0.87810	0.81700	0.48270	0.0420*
H31A	0.66700	0.94280	0.42680	0.0450*
H32A	0.89130	0.94160	0.50080	0.0450*
H41A	0.57520	0.94880	0.57870	0.0470*
H42A	0.71200	0.88050	0.60760	0.0470*
H51A	0.30550	0.88690	0.47920	0.0460*
H52A	0.32480	0.85900	0.58440	0.0460*
H61A	0.57690	0.77030	0.53250	0.0400*
H62A	0.31250	0.76120	0.50230	0.0400*
H91A	0.20920	0.73760	0.19650	0.0430*	0.735 (3)
H92A	0.45120	0.70430	0.22990	0.0430*	0.735 (3)
H11A	0.36680	0.84730	0.20280	0.0440*	0.735 (3)
H12A	0.79710	0.78680	0.25410	0.0440*	0.735 (3)
H13A	0.74150	0.86670	0.25170	0.0440*	0.735 (3)
H14A	0.53670	0.77550	0.13960	0.0440*	0.265 (3)
H15A	0.59940	0.72090	0.22210	0.0440*	0.265 (3)
H16A	0.23430	0.81620	0.21620	0.0430*	0.265 (3)
H17A	0.20330	0.73590	0.19490	0.0430*	0.265 (3)
H18A	0.84390	0.81290	0.26060	0.0440*	0.265 (3)
H19A	0.64380	0.86710	0.24050	0.0440*	0.265 (3)