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. 2013 Mar 23;69(Pt 4):o565–o566. doi: 10.1107/S1600536813007241
x y z Uiso*/Ueq
C1 0.22606 (12) 0.22945 (12) 0.85547 (12) 0.0266 (3)
H1 0.1992 0.2950 0.8090 0.032*
C2 0.16248 (12) 0.22544 (12) 0.97887 (12) 0.0271 (3)
C3 0.13663 (14) 0.13054 (13) 1.03713 (13) 0.0310 (3)
H3 0.1570 0.0660 0.9974 0.037*
C4 0.08137 (14) 0.12737 (14) 1.15267 (14) 0.0347 (3)
H4 0.0644 0.0615 1.1912 0.042*
C5 0.05172 (14) 0.22147 (15) 1.21021 (14) 0.0376 (3)
H5 0.0148 0.2200 1.2892 0.045*
C6 0.07508 (15) 0.31771 (14) 1.15432 (14) 0.0365 (3)
H6 0.0533 0.3819 1.1942 0.044*
C7 0.13097 (13) 0.31993 (13) 1.03861 (13) 0.0312 (3)
O8 0.15789 (13) 0.41119 (10) 0.97691 (11) 0.0441 (3)
C9 0.16598 (16) 0.50775 (12) 1.04698 (14) 0.0360 (3)
H9A 0.2106 0.4957 1.1292 0.043*
H9B 0.0799 0.5356 1.0607 0.043*
C10 0.23872 (16) 0.58408 (13) 0.97119 (14) 0.0367 (3)
H10A 0.2017 0.5874 0.8846 0.044*
H10B 0.2362 0.6558 1.0081 0.044*
O11 0.36498 (10) 0.54650 (9) 0.97231 (10) 0.0380 (3)
C12 0.43821 (16) 0.59053 (13) 0.87902 (14) 0.0372 (3)
H12A 0.4594 0.6651 0.8995 0.045*
H12B 0.3899 0.5889 0.7975 0.045*
C13 0.55719 (15) 0.52654 (12) 0.87280 (14) 0.0338 (3)
H13A 0.6134 0.5571 0.8108 0.041*
H13B 0.6039 0.5252 0.9552 0.041*
O14 0.51863 (10) 0.42183 (9) 0.83650 (11) 0.0372 (2)
C15 0.61093 (14) 0.35024 (12) 0.81031 (13) 0.0298 (3)
C16 0.74063 (14) 0.37340 (13) 0.81731 (15) 0.0361 (3)
H16 0.7694 0.4404 0.8472 0.043*
C17 0.82748 (14) 0.29860 (14) 0.78062 (15) 0.0388 (4)
H17 0.9156 0.3150 0.7847 0.047*
C18 0.78697 (14) 0.20051 (13) 0.73815 (15) 0.0367 (4)
H18 0.8465 0.1499 0.7114 0.044*
C19 0.65764 (14) 0.17656 (13) 0.73505 (14) 0.0325 (3)
H19 0.6300 0.1085 0.7075 0.039*
C20 0.56790 (13) 0.25002 (12) 0.77133 (12) 0.0273 (3)
C21 0.43077 (12) 0.22008 (12) 0.76601 (12) 0.0269 (3)
C22 0.37341 (13) 0.17558 (12) 0.66288 (13) 0.0272 (3)
C23 0.24979 (13) 0.12495 (11) 0.66886 (12) 0.0255 (3)
N24 0.19281 (12) 0.13681 (10) 0.78031 (11) 0.0289 (3)
H24 0.1137 (17) 0.1140 (14) 0.7817 (16) 0.035*
N25 0.36503 (11) 0.22816 (11) 0.87544 (11) 0.0278 (2)
H25 0.3951 (16) 0.2792 (14) 0.9247 (16) 0.033*
N1' 0.43614 (11) 0.17458 (10) 0.54726 (10) 0.0272 (2)
C4' 0.20023 (13) 0.06475 (12) 0.57082 (12) 0.0280 (3)
C5' 0.27720 (14) 0.04519 (14) 0.45751 (13) 0.0353 (3)
H5A 0.2425 0.0885 0.3869 0.042*
H5B 0.2699 −0.0302 0.4331 0.042*
C6' 0.41709 (14) 0.07292 (12) 0.48401 (13) 0.0306 (3)
H6A 0.4575 0.0165 0.5364 0.037*
H6B 0.4602 0.0747 0.4041 0.037*
C7' 0.39864 (15) 0.26627 (13) 0.46972 (15) 0.0357 (3)
H7A 0.3881 0.3282 0.5248 0.043*
H7B 0.3151 0.2514 0.4269 0.043*
C8' 0.49217 (14) 0.29427 (11) 0.37288 (13) 0.0301 (3)
C9' 0.44865 (17) 0.34402 (13) 0.26331 (15) 0.0399 (4)
H9 0.3599 0.3525 0.2462 0.048*
C10' 0.5333 (2) 0.38131 (15) 0.17872 (17) 0.0510 (5)
H10 0.5024 0.4164 0.1049 0.061*
C11' 0.6611 (2) 0.36766 (15) 0.20134 (18) 0.0542 (5)
H11 0.7189 0.3930 0.1431 0.065*
C12' 0.70637 (18) 0.31703 (15) 0.30879 (18) 0.0474 (4)
H12 0.7952 0.3070 0.3239 0.057*
C13' 0.62174 (15) 0.28063 (13) 0.39512 (15) 0.0366 (3)
H13 0.6531 0.2464 0.4693 0.044*
C14' 0.07571 (14) 0.01805 (12) 0.57658 (13) 0.0298 (3)
O1' 0.00688 (10) 0.02090 (9) 0.66562 (9) 0.0342 (2)
O2' 0.03869 (11) −0.03237 (11) 0.46902 (11) 0.0452 (3)
C15' −0.08813 (17) −0.07689 (17) 0.46202 (18) 0.0507 (5)
H15A −0.1111 −0.1000 0.5462 0.061*
H15B −0.0901 −0.1397 0.4068 0.061*
C16' −0.1818 (2) 0.0022 (2) 0.4129 (3) 0.0858 (9)
H16A −0.2654 −0.0313 0.4006 0.129*
H16B −0.1548 0.0298 0.3330 0.129*
H16C −0.1871 0.0605 0.4727 0.129*