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. 2011 Oct 29;67(Pt 11):o3127. doi: 10.1107/S1600536811044758
x y z Uiso*/Ueq Occ. (<1)
S1 0.32529 (2) 0.46310 (4) 0.24150 (3) 0.01360 (14) 0.833 (2)
C1 0.26341 (15) 0.55387 (19) 0.1659 (2) 0.0172 (5) 0.833 (2)
H1A 0.2777 0.5884 0.1098 0.021* 0.833 (2)
C2 0.1909 (2) 0.5709 (3) 0.1958 (2) 0.0187 (4) 0.833 (2)
H2 0.1493 0.6191 0.1646 0.022* 0.833 (2)
C3 0.18762 (10) 0.5073 (2) 0.2781 (2) 0.0223 (5) 0.833 (2)
H3 0.1417 0.5081 0.3088 0.027* 0.833 (2)
S1' 0.16790 (19) 0.5096 (3) 0.2790 (2) 0.01360 (14) 0.167 (2)
C1' 0.2016 (12) 0.5693 (15) 0.1820 (12) 0.0172 (5) 0.167 (2)
H1' 0.1703 0.6204 0.1384 0.021* 0.167 (2)
C2' 0.2765 (11) 0.5375 (13) 0.1731 (14) 0.0187 (4) 0.167 (2)
H2' 0.3044 0.5617 0.1234 0.022* 0.167 (2)
C3' 0.3071 (7) 0.4624 (12) 0.2493 (10) 0.0223 (5) 0.167 (2)
H3' 0.3588 0.4285 0.2565 0.027* 0.167 (2)
O1 0.19394 (5) 0.34953 (7) 0.42862 (7) 0.0180 (2)
N1 0.32838 (6) 0.32219 (8) 0.44331 (8) 0.0143 (2)
H1 0.3254 (10) 0.2681 (13) 0.4887 (12) 0.023 (4)*
N2 0.39858 (6) 0.33902 (8) 0.40601 (7) 0.0147 (2)
C4 0.25352 (7) 0.44346 (9) 0.31283 (8) 0.0135 (2)
C5 0.25708 (7) 0.36818 (9) 0.39748 (9) 0.0137 (2)
C6 0.46677 (7) 0.30469 (9) 0.45855 (9) 0.0137 (2)
C7 0.54146 (7) 0.31718 (10) 0.41432 (9) 0.0172 (3)
H7 0.5274 0.3575 0.3493 0.021*
C8 0.57170 (8) 0.20454 (11) 0.39590 (10) 0.0216 (3)
H8A 0.5290 0.1666 0.3464 0.026*
H8B 0.6214 0.2095 0.3676 0.026*
C9 0.59118 (7) 0.14246 (10) 0.49565 (10) 0.0194 (3)
H9 0.6107 0.0694 0.4835 0.023*
C10 0.51402 (7) 0.13459 (10) 0.53943 (10) 0.0195 (3)
H10A 0.5265 0.0941 0.6035 0.023*
H10B 0.4706 0.0962 0.4914 0.023*
C11 0.48369 (7) 0.24706 (10) 0.55881 (9) 0.0147 (2)
H11 0.4329 0.2428 0.5862 0.018*
C12 0.55174 (7) 0.30665 (11) 0.63301 (9) 0.0193 (3)
H12A 0.5328 0.3792 0.6449 0.023*
H12B 0.5644 0.2687 0.6985 0.023*
C13 0.62905 (7) 0.31363 (10) 0.58972 (9) 0.0177 (3)
H13 0.6731 0.3514 0.6388 0.021*
C14 0.60877 (7) 0.37598 (10) 0.49038 (10) 0.0196 (3)
H14A 0.6585 0.3830 0.4623 0.024*
H14B 0.5897 0.4483 0.5028 0.024*
C15 0.65806 (7) 0.20126 (10) 0.57098 (9) 0.0184 (3)
H15A 0.6712 0.1615 0.6355 0.022*
H15B 0.7084 0.2056 0.5439 0.022*