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. 2015 Jul 8;71(Pt 8):o550–o551. doi: 10.1107/S205698901501258X
x y z Uiso*/Ueq Occ. (<1)
C1 0.5519 (3) 0.04441 (18) 0.93627 (14) 0.0459 (6)
H1 0.5224 0.0713 0.9829 0.055*
C2 0.5401 (3) −0.04952 (19) 0.94729 (17) 0.0574 (7)
H2A 0.4494 −0.0626 0.9693 0.069*
H2B 0.5451 −0.0777 0.8994 0.069*
C3 0.6545 (3) −0.08242 (19) 0.99638 (17) 0.0587 (7)
H3A 0.6440 −0.0598 1.0462 0.070*
H3B 0.6503 −0.1440 0.9990 0.070*
C4 0.7912 (3) −0.05507 (17) 0.96421 (14) 0.0472 (6)
C5 0.8106 (3) 0.03991 (16) 0.96718 (13) 0.0417 (6)
H5 0.8054 0.0615 1.0182 0.050*
C6 0.9497 (3) 0.06134 (17) 0.93102 (14) 0.0457 (6)
H6A 1.0101 0.0117 0.9287 0.055*
H6B 0.9979 0.1059 0.9583 0.055*
C7 0.9109 (3) 0.09122 (16) 0.85379 (13) 0.0443 (6)
H7 0.9740 0.0659 0.8168 0.053*
C8 0.9157 (3) 0.18622 (16) 0.84910 (14) 0.0445 (6)
C9 0.8267 (3) 0.22508 (16) 0.91195 (13) 0.0416 (6)
C10 0.6911 (3) 0.17703 (16) 0.92456 (12) 0.0405 (6)
C11 0.6968 (3) 0.07934 (16) 0.91761 (13) 0.0399 (5)
C12 0.5904 (3) 0.22027 (18) 0.87023 (15) 0.0496 (6)
H12A 0.5568 0.1796 0.8338 0.060*
H12B 0.5098 0.2431 0.8967 0.060*
C13 0.6700 (3) 0.29100 (18) 0.83222 (15) 0.0527 (7)
H13 0.6084 0.3399 0.8230 0.063*
C14 0.7783 (3) 0.31184 (17) 0.88965 (15) 0.0512 (7)
H14 0.7319 0.3389 0.9322 0.061*
C15 0.8737 (3) 0.2179 (2) 0.77238 (14) 0.0565 (7)
H15A 0.9459 0.2574 0.7560 0.068*
H15B 0.8767 0.1696 0.7389 0.068*
C16 0.7352 (4) 0.2605 (2) 0.76183 (15) 0.0604 (8)
H16 0.6702 0.2225 0.7356 0.073*
C17 0.7620 (3) 0.05823 (16) 0.84348 (12) 0.0415 (6)
H17 0.7146 0.0900 0.8039 0.050*
C18 0.8127 (3) −0.08526 (17) 0.88536 (14) 0.0515 (7)
H18A 0.9130 −0.0893 0.8758 0.062*
H18B 0.7734 −0.1419 0.8806 0.062*
C19 0.9371 (3) −0.08098 (19) 1.07202 (15) 0.0556 (7)
C20 0.3182 (3) 0.0800 (3) 0.9099 (2) 0.0738 (10)
H20A 0.2839 0.0276 0.9305 0.111*
H20B 0.2567 0.0982 0.8706 0.111*
H20C 0.3209 0.1227 0.9480 0.111*
C21 0.8619 (4) 0.4468 (2) 0.8583 (2) 0.0807 (10)
H21A 0.8080 0.4534 0.8135 0.121*
H21B 0.9477 0.4788 0.8543 0.121*
H21C 0.8081 0.4672 0.8999 0.121*
C22 0.7499 (12) 0.3113 (7) 0.6432 (4) 0.114 (3) 0.578 (12)
H22A 0.8162 0.2697 0.6260 0.170* 0.578 (12)
H22B 0.7575 0.3617 0.6134 0.170* 0.578 (12)
H22C 0.6561 0.2888 0.6393 0.170* 0.578 (12)
C22' 0.6743 (13) 0.3573 (9) 0.6707 (7) 0.104 (4) 0.422 (12)
H22D 0.6386 0.3124 0.6398 0.155* 0.422 (12)
H22E 0.7364 0.3927 0.6421 0.155* 0.422 (12)
H22F 0.5972 0.3909 0.6890 0.155* 0.422 (12)
C23 0.7964 (4) −0.0559 (2) 0.75690 (15) 0.0625 (8)
H23A 0.8964 −0.0683 0.7583 0.075*
H23B 0.7822 −0.0086 0.7230 0.075*
C24 0.7206 (6) −0.1305 (2) 0.7287 (2) 0.0994 (14)
H24A 0.7516 −0.1803 0.7548 0.149*
H24B 0.7394 −0.1371 0.6765 0.149*
H24C 0.6213 −0.1229 0.7362 0.149*
C1' 1.0692 (3) −0.11619 (17) 1.09396 (15) 0.0525 (7)
C2' 1.1153 (4) −0.10849 (19) 1.16724 (16) 0.0600 (8)
C3' 1.2446 (4) −0.1426 (2) 1.1845 (2) 0.0732 (10)
H3' 1.2769 −0.1389 1.2333 0.088*
C4' 1.3246 (4) −0.1804 (2) 1.1341 (2) 0.0786 (11)
H4' 1.4116 −0.2025 1.1480 0.094*
C5' 1.2809 (4) −0.1874 (2) 1.0619 (2) 0.0739 (9)
H5' 1.3379 −0.2134 1.0265 0.089*
C6' 1.1544 (4) −0.15597 (19) 1.04293 (17) 0.0624 (8)
H6' 1.1236 −0.1613 0.9940 0.075*
N1 1.0397 (4) −0.0685 (2) 1.21841 (14) 0.0858 (10)
H1A 1.0716 −0.0636 1.2631 0.103*
H1B 0.9588 −0.0473 1.2070 0.103*
N2 0.7503 (2) −0.03157 (13) 0.82988 (10) 0.0461 (5)
O1 0.8590 (3) −0.04165 (18) 1.11148 (11) 0.0792 (7)
O2 0.9070 (2) −0.09711 (12) 1.00172 (10) 0.0533 (5)
O3 0.64582 (19) 0.19706 (12) 0.99729 (9) 0.0492 (4)
H3 0.7146 0.2082 1.0234 0.074*
O4 0.8988 (2) 0.22811 (12) 0.97916 (9) 0.0493 (5)
H4 0.9790 0.2463 0.9721 0.074*
O5 1.05780 (19) 0.20907 (13) 0.86056 (11) 0.0567 (5)
H5A 1.0672 0.2605 0.8540 0.085*
O6 0.8938 (2) 0.36055 (12) 0.86885 (12) 0.0613 (5)
O7 0.7770 (13) 0.3303 (12) 0.7134 (9) 0.092 (3) 0.578 (12)
O7' 0.7307 (16) 0.3306 (16) 0.7166 (13) 0.084 (3) 0.422 (12)
O8 0.45273 (18) 0.06771 (13) 0.88177 (10) 0.0525 (5)