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. 2016 Feb 20;72(Pt 3):382–386. doi: 10.1107/S205698901600267X
x y z Uiso*/Ueq
N1A 0.32105 (18) 0.84571 (11) 0.67893 (11) 0.0229 (4)
N8A 0.36282 (18) 0.67732 (12) 0.62864 (11) 0.0241 (5)
C2A 0.2390 (2) 0.94651 (14) 0.66676 (13) 0.0256 (5)
C3A 0.3174 (2) 1.01454 (14) 0.58999 (14) 0.0291 (6)
C4A 0.2728 (2) 0.98456 (14) 0.48576 (14) 0.0288 (6)
C5A 0.3145 (2) 0.87339 (14) 0.45932 (13) 0.0271 (5)
C6A 0.2207 (2) 0.79201 (14) 0.51882 (13) 0.0262 (5)
C7A 0.3028 (2) 0.77086 (13) 0.61456 (13) 0.0209 (5)
C9A 0.4591 (2) 0.64922 (14) 0.71447 (13) 0.0262 (5)
C10A 0.5429 (2) 0.74497 (13) 0.75333 (13) 0.0280 (6)
C11A 0.4170 (2) 0.82988 (15) 0.76868 (13) 0.0302 (6)
O11B 0.28719 (17) 0.51621 (9) 0.51597 (9) 0.0320 (4)
O12B 0.29529 (19) 0.56473 (11) 0.36120 (11) 0.0428 (5)
N4B 0.6170 (2) 0.11141 (13) 0.33808 (12) 0.0296 (5)
C1B 0.3958 (2) 0.39741 (13) 0.40190 (12) 0.0206 (5)
C2B 0.43611 (19) 0.36990 (13) 0.30648 (12) 0.0212 (5)
C3B 0.5089 (2) 0.27615 (13) 0.28504 (12) 0.0220 (5)
C4B 0.5475 (2) 0.20495 (13) 0.35867 (13) 0.0220 (5)
C5B 0.5100 (2) 0.23325 (13) 0.45489 (12) 0.0243 (5)
C6B 0.4347 (2) 0.32664 (13) 0.47496 (13) 0.0227 (5)
C11B 0.3204 (2) 0.50006 (14) 0.42672 (14) 0.0238 (5)
H8A 0.342 (2) 0.6279 (14) 0.5850 (13) 0.0290*
H10A 0.59810 0.72880 0.81580 0.0340*
H11A 0.34180 0.81070 0.82260 0.0360*
H12A 0.47390 0.89490 0.78670 0.0360*
H13A 0.62810 0.76860 0.70660 0.0340*
H21A 0.24080 0.98360 0.72980 0.0310*
H22A 0.12200 0.93460 0.64920 0.0310*
H31A 0.43890 1.01140 0.59740 0.0350*
H32A 0.28290 1.08700 0.60140 0.0350*
H41A 0.15290 0.99540 0.47620 0.0350*
H42A 0.33170 1.03140 0.44050 0.0350*
H51A 0.43450 0.86260 0.46870 0.0320*
H52A 0.29000 0.86260 0.38940 0.0320*
H61A 0.10660 0.81660 0.53060 0.0310*
H62A 0.21410 0.72690 0.48100 0.0310*
H91A 0.54280 0.59660 0.69700 0.0310*
H92A 0.38570 0.61950 0.76490 0.0310*
H2B 0.41290 0.41690 0.25510 0.0250*
H3B 0.53320 0.25950 0.21920 0.0260*
H5B 0.53680 0.18760 0.50670 0.0290*
H6B 0.40870 0.34320 0.54060 0.0270*
H41B 0.666 (2) 0.0742 (16) 0.3845 (13) 0.0360*
H42B 0.647 (2) 0.0939 (16) 0.2759 (12) 0.0360*