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. 2015 Sep 26;71(Pt 10):1212–1215. doi: 10.1107/S2056989015017582
x y z Uiso*/Ueq
O1 0.34514 (16) 0.3163 (3) 0.37758 (7) 0.0315 (4)
C1 0.2837 (2) 0.3609 (4) 0.31216 (10) 0.0257 (4)
H1 0.2922 0.5356 0.3006 0.031*
C2 0.3645 (2) 0.1973 (4) 0.26790 (10) 0.0236 (4)
H2 0.3840 0.2807 0.2273 0.028*
C3 0.5014 (2) 0.1255 (4) 0.31153 (9) 0.0216 (4)
H3 0.5695 0.2635 0.3118 0.026*
C4 0.4468 (2) 0.1149 (4) 0.37946 (9) 0.0219 (4)
H4 0.3965 −0.0419 0.3842 0.026*
C5 0.5571 (2) 0.1572 (4) 0.43934 (10) 0.0221 (4)
H5 0.5063 0.1803 0.4782 0.027*
C6 0.6694 (2) −0.0473 (4) 0.45328 (10) 0.0239 (4)
H6A 0.6898 −0.0777 0.5002 0.029*
H6B 0.6366 −0.1997 0.4314 0.029*
O7 0.79329 (15) 0.0472 (3) 0.42712 (7) 0.0251 (3)
C8 0.7920 (2) 0.3060 (4) 0.43977 (10) 0.0234 (4)
O9 0.64107 (15) 0.3721 (3) 0.43018 (7) 0.0251 (3)
C10 0.8696 (3) 0.4342 (4) 0.38914 (12) 0.0326 (5)
H10A 0.8217 0.3997 0.3459 0.049*
H10B 0.9674 0.3758 0.3923 0.049*
H10C 0.8695 0.6092 0.3968 0.049*
C11 0.8532 (2) 0.3653 (4) 0.51018 (11) 0.0313 (5)
H11A 0.9549 0.3308 0.5161 0.047*
H11B 0.8057 0.2657 0.5400 0.047*
H11C 0.8376 0.5369 0.5190 0.047*
O12 0.13924 (16) 0.2825 (3) 0.30147 (9) 0.0356 (4)
C13 0.1257 (2) 0.0752 (4) 0.25826 (11) 0.0277 (5)
O14 0.27047 (15) −0.0114 (3) 0.25586 (7) 0.0282 (3)
C15 0.0589 (3) 0.1589 (6) 0.19055 (13) 0.0490 (7)
H15A 0.1160 0.2897 0.1752 0.074*
H15B −0.0375 0.2176 0.1932 0.074*
H15C 0.0558 0.0225 0.1604 0.074*
C16 0.0396 (3) −0.1209 (5) 0.28758 (14) 0.0411 (6)
H16A −0.0564 −0.0612 0.2904 0.062*
H16B 0.0849 −0.1617 0.3309 0.062*
H16C 0.0352 −0.2656 0.2602 0.062*
C3' 0.5763 (2) −0.1049 (4) 0.29004 (10) 0.0240 (4)
H3'1 0.6569 −0.1470 0.3226 0.029*
H3'2 0.5093 −0.2427 0.2863 0.029*
N4' 0.6281 (2) −0.0585 (4) 0.22661 (9) 0.0279 (4)
C5' 0.6706 (2) −0.2436 (4) 0.18935 (10) 0.0279 (5)
O6' 0.66529 (19) −0.4616 (3) 0.20170 (8) 0.0363 (4)
O7' 0.71820 (19) −0.1464 (3) 0.13471 (8) 0.0403 (4)
C8' 0.7650 (3) −0.3172 (5) 0.08682 (11) 0.0418 (6)
H8'1 0.7087 −0.4682 0.0856 0.050*
H8'2 0.8662 −0.3584 0.0979 0.050*
C1'' 0.7418 (3) −0.1870 (5) 0.02154 (11) 0.0355 (5)
C2'' 0.8230 (3) 0.0185 (6) 0.00934 (12) 0.0444 (6)
H2'' 0.8968 0.0708 0.0409 0.053*
C3'' 0.7954 (3) 0.1460 (6) −0.04903 (14) 0.0525 (7)
H3'' 0.8502 0.2845 −0.0565 0.063*
C4'' 0.6868 (3) 0.0694 (6) −0.09655 (13) 0.0520 (8)
H4'' 0.6679 0.1563 −0.1359 0.062*
C5'' 0.6074 (3) −0.1351 (7) −0.08519 (13) 0.0523 (8)
H5'' 0.5349 −0.1882 −0.1173 0.063*
C6'' 0.6334 (3) −0.2644 (6) −0.02641 (13) 0.0454 (7)
H6'' 0.5783 −0.4028 −0.0191 0.055*
H4' 0.647 (3) 0.080 (5) 0.2161 (12) 0.028 (7)*