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. 2013 Jun 26;69(Pt 7):o1160–o1161. doi: 10.1107/S1600536813017091
x y z Uiso*/Ueq
O1 0.07170 (14) −0.02077 (7) 0.19458 (16) 0.0520 (4)
O2 0.50913 (16) 0.05541 (8) 0.38186 (17) 0.0554 (5)
O3 0.87382 (16) 0.10480 (8) 0.40720 (18) 0.0605 (5)
O4 1.4753 (2) 0.21761 (12) 0.2984 (3) 0.1028 (9)
O5 1.4051 (2) 0.21112 (11) 0.0893 (3) 0.0926 (8)
O6 0.7557 (2) 0.15662 (12) −0.0661 (2) 0.0952 (8)
N1 0.65997 (16) 0.08803 (8) 0.2177 (2) 0.0430 (5)
N2 0.77984 (17) 0.10975 (8) 0.1910 (2) 0.0435 (5)
N3 1.3896 (2) 0.20500 (9) 0.2026 (3) 0.0619 (6)
N4 0.71736 (19) 0.18185 (9) −0.2805 (2) 0.0540 (5)
C1 −0.0899 (2) −0.12417 (10) 0.2521 (3) 0.0543 (6)
H1 −0.0142 −0.1398 0.2244 0.065*
C2 −0.2068 (3) −0.15693 (11) 0.2395 (3) 0.0631 (7)
H2A −0.2098 −0.1947 0.2036 0.076*
C3 −0.3193 (2) −0.13453 (11) 0.2792 (3) 0.0574 (7)
H3 −0.3983 −0.1570 0.2701 0.069*
C4 −0.3152 (2) −0.07925 (11) 0.3320 (3) 0.0544 (6)
H4 −0.3911 −0.0639 0.3599 0.065*
C5 −0.1976 (2) −0.04604 (10) 0.3440 (2) 0.0453 (6)
H5 −0.1955 −0.0081 0.3787 0.054*
C6 −0.0841 (2) −0.06820 (9) 0.3056 (2) 0.0407 (5)
C7 0.0453 (2) −0.03359 (10) 0.3232 (2) 0.0459 (6)
H7A 0.0366 0.0028 0.3707 0.055*
H7B 0.1199 −0.0563 0.3742 0.055*
C8 0.19366 (19) 0.00386 (9) 0.1859 (2) 0.0389 (5)
C9 0.2933 (2) 0.01794 (9) 0.2933 (2) 0.0407 (5)
H9 0.2796 0.0112 0.3791 0.049*
C10 0.41497 (19) 0.04237 (9) 0.2735 (2) 0.0378 (5)
C11 0.43622 (19) 0.05309 (9) 0.1444 (2) 0.0370 (5)
C12 0.3322 (2) 0.03864 (10) 0.0385 (2) 0.0438 (5)
H12 0.3443 0.0459 −0.0477 0.053*
C13 0.2125 (2) 0.01410 (10) 0.0570 (2) 0.0443 (5)
H13 0.1446 0.0044 −0.0156 0.053*
C14 0.5624 (2) 0.07781 (9) 0.1208 (2) 0.0413 (5)
H14 0.5722 0.0862 0.0344 0.050*
C15 0.8836 (2) 0.11689 (9) 0.2939 (2) 0.0409 (5)
C16 1.0138 (2) 0.14008 (9) 0.2640 (2) 0.0389 (5)
C17 1.1128 (2) 0.15662 (10) 0.3697 (3) 0.0504 (6)
H17 1.0960 0.1535 0.4554 0.060*
C18 1.2367 (2) 0.17777 (11) 0.3517 (3) 0.0536 (6)
H18 1.3035 0.1890 0.4239 0.064*
C19 1.2585 (2) 0.18182 (9) 0.2247 (3) 0.0456 (6)
C20 1.1643 (2) 0.16467 (12) 0.1179 (3) 0.0596 (7)
H20 1.1825 0.1672 0.0326 0.072*
C21 1.0410 (2) 0.14332 (12) 0.1380 (3) 0.0566 (7)
H21 0.9756 0.1310 0.0656 0.068*
C22 0.7086 (3) 0.14686 (13) −0.1811 (4) 0.0675 (8)
H22 0.6620 0.1115 −0.2011 0.081*
C23 0.6524 (4) 0.1653 (2) −0.4133 (4) 0.1072 (13)
H23A 0.6184 0.1257 −0.4128 0.161*
H23B 0.7172 0.1674 −0.4706 0.161*
H23C 0.5782 0.1917 −0.4450 0.161*
C24 0.7845 (4) 0.23712 (15) −0.2607 (5) 0.1139 (15)
H24A 0.8578 0.2379 −0.3085 0.171*
H24B 0.8202 0.2428 −0.1676 0.171*
H24C 0.7210 0.2681 −0.2927 0.171*
H2' 0.784 (2) 0.1204 (10) 0.1096 (12) 0.046 (7)*
H2O 0.580 (2) 0.0665 (14) 0.355 (3) 0.101 (12)*