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. 2012 Jun 13;68(Pt 7):o2054. doi: 10.1107/S1600536812025275
x y z Uiso*/Ueq
S1 0.78263 (6) 0.31009 (7) 0.67270 (2) 0.0889 (2)
S2 0.60772 (5) 0.79595 (6) 0.773134 (19) 0.08036 (18)
N1 0.68705 (13) 0.56138 (17) 0.71826 (5) 0.0665 (3)
N2 0.58228 (15) 0.79774 (19) 0.68118 (6) 0.0764 (4)
N3 0.6892 (3) 0.4609 (4) 0.55333 (8) 0.1323 (9)
C1 0.70156 (16) 0.4995 (2) 0.67609 (7) 0.0696 (4)
C2 0.62755 (16) 0.7066 (2) 0.71888 (7) 0.0678 (4)
C3 0.59644 (18) 0.7347 (3) 0.63894 (8) 0.0775 (5)
C4 0.65498 (17) 0.5814 (3) 0.63450 (7) 0.0745 (5)
C5 0.6733 (2) 0.5142 (3) 0.58931 (8) 0.0940 (6)
C6 0.84843 (18) 0.2845 (2) 0.73261 (7) 0.0729 (5)
C7 0.97186 (19) 0.3532 (3) 0.74887 (8) 0.0858 (6)
H7 1.0217 0.4096 0.7283 0.103*
C8 1.0201 (2) 0.3376 (3) 0.79569 (9) 0.0886 (6)
H8 1.1030 0.3847 0.8064 0.106*
C9 0.9493 (2) 0.2538 (3) 0.82738 (8) 0.0825 (5)
C10 0.8272 (2) 0.1824 (3) 0.80980 (8) 0.0846 (6)
H10 0.7786 0.1229 0.8301 0.102*
C11 0.77708 (18) 0.1978 (2) 0.76337 (8) 0.0787 (5)
H11 0.6948 0.1497 0.7525 0.094*
C12 1.0013 (3) 0.2400 (4) 0.87868 (10) 0.1206 (9)
H12A 1.0233 0.1287 0.8861 0.181*
H12B 0.9329 0.2767 0.8977 0.181*
H12C 1.0811 0.3059 0.8851 0.181*
C13 0.6781 (3) 0.6417 (3) 0.81484 (8) 0.0932 (6)
H13A 0.6102 0.5595 0.8189 0.112*
H13B 0.7550 0.5892 0.8028 0.112*
C14 0.7221 (2) 0.7210 (2) 0.86107 (7) 0.0781 (5)
C15 0.8585 (3) 0.7470 (4) 0.87499 (10) 0.1021 (7)
H15 0.9228 0.7152 0.8553 0.123*
C16 0.8998 (3) 0.8197 (4) 0.91789 (13) 0.1233 (10)
H16 0.9918 0.8365 0.9267 0.148*
C17 0.8086 (4) 0.8667 (4) 0.94725 (11) 0.1249 (10)
H17 0.8378 0.9148 0.9761 0.150*
C18 0.6744 (4) 0.8435 (3) 0.93449 (10) 0.1126 (8)
H18 0.6112 0.8762 0.9545 0.135*
C19 0.6317 (2) 0.7711 (3) 0.89167 (9) 0.0911 (6)
H19 0.5394 0.7557 0.8833 0.109*
C20 0.5482 (2) 0.8344 (3) 0.59621 (8) 0.0928 (6)
H20A 0.5996 0.8045 0.5704 0.111*
H20B 0.5653 0.9484 0.6033 0.111*
C21 0.3988 (2) 0.8112 (3) 0.58083 (8) 0.0843 (5)
H21A 0.3462 0.8583 0.6043 0.101*
H21B 0.3785 0.6959 0.5787 0.101*
C22 0.3585 (2) 0.8912 (3) 0.53285 (7) 0.0885 (6)
H22A 0.3891 1.0033 0.5342 0.106*
H22B 0.4049 0.8360 0.5091 0.106*
C23 0.2100 (2) 0.8882 (4) 0.51799 (9) 0.1024 (7)
H23A 0.1632 0.9429 0.5417 0.123*
H23B 0.1792 0.7762 0.5162 0.123*
C24 0.1729 (3) 0.9695 (4) 0.47047 (8) 0.1191 (9)
H24A 0.0762 0.9674 0.4629 0.179*
H24B 0.2151 0.9124 0.4465 0.179*
H24C 0.2038 1.0802 0.4719 0.179*