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. 2015 Apr 9;71(Pt 5):466–472. doi: 10.1107/S2056989015006854
x y z Uiso*/Ueq
C1 0.7169 (2) 0.18654 (10) 0.68618 (13) 0.0143 (4)
C2 0.6544 (2) 0.17259 (10) 0.77738 (14) 0.0136 (4)
H2 0.6782 0.2123 0.8195 0.016*
C3 0.7047 (2) 0.10935 (10) 0.83870 (13) 0.0131 (4)
H3 0.7884 0.0905 0.8158 0.016*
C4 0.5888 (2) 0.05350 (10) 0.82692 (14) 0.0157 (5)
H4 0.5005 0.0711 0.8454 0.019*
C5 0.6453 (2) −0.00784 (10) 0.88896 (14) 0.0181 (5)
H5A 0.7279 −0.0275 0.8671 0.022*
H5B 0.5695 −0.0422 0.8827 0.022*
C6 0.6915 (2) 0.01330 (11) 0.99391 (14) 0.0192 (5)
H6A 0.6073 0.0301 1.0169 0.023*
H6B 0.7295 −0.026 1.0325 0.023*
C7 0.8069 (2) 0.06816 (10) 1.00523 (13) 0.0155 (4)
H7 0.8952 0.0491 0.9884 0.019*
C8 0.7615 (2) 0.13268 (10) 0.94372 (14) 0.0135 (4)
C9 0.9051 (2) 0.17425 (10) 0.94939 (14) 0.0164 (5)
H9B 0.9393 0.1848 1.017 0.02*
H9A 0.9752 0.1424 0.9326 0.02*
C10 0.9238 (2) 0.24112 (10) 0.89436 (14) 0.0166 (5)
H10 1.0181 0.259 0.9281 0.02*
C11 0.9370 (2) 0.24049 (10) 0.78491 (14) 0.0172 (5)
H11 1.0036 0.2782 0.7801 0.021*
C12 1.0208 (2) 0.17776 (11) 0.76571 (14) 0.0174 (5)
C13 0.9588 (2) 0.12865 (10) 0.70699 (14) 0.0167 (5)
H13 1.0156 0.0911 0.6989 0.02*
C14 0.8037 (2) 0.12964 (10) 0.65293 (14) 0.0154 (4)
H14A 0.7581 0.0864 0.6617 0.018*
H14B 0.8021 0.1351 0.5848 0.018*
C15 0.8037 (2) 0.25338 (10) 0.69973 (14) 0.0154 (5)
C16 0.7084 (2) 0.31455 (10) 0.71360 (14) 0.0191 (5)
H16B 0.6447 0.3255 0.6535 0.029*
H16C 0.7695 0.353 0.7355 0.029*
H16A 0.6512 0.3035 0.7604 0.029*
C17 0.8650 (2) 0.27030 (11) 0.60997 (15) 0.0209 (5)
H17A 0.9377 0.2373 0.6029 0.031*
H17B 0.908 0.3149 0.6168 0.031*
H17C 0.7874 0.2693 0.5541 0.031*
C18 1.1796 (2) 0.17407 (12) 0.81421 (16) 0.0242 (5)
H18B 1.2193 0.1311 0.7998 0.036*
H18C 1.1887 0.1783 0.8825 0.036*
H18A 1.232 0.2104 0.7912 0.036*
C19 0.6461 (2) 0.17224 (11) 0.98432 (14) 0.0176 (5)
H19C 0.6149 0.2111 0.9444 0.026*
H19A 0.6873 0.1871 1.0485 0.026*
H19B 0.5639 0.1432 0.9854 0.026*
O20 0.49732 (15) 0.17278 (7) 0.74303 (9) 0.0176 (3)
C21 0.4646 (2) 0.18489 (10) 0.64927 (15) 0.0178 (5)
O22 0.58327 (14) 0.19463 (7) 0.61213 (9) 0.0170 (3)
O23 0.34190 (16) 0.18696 (8) 0.60281 (10) 0.0247 (4)
O24 0.84116 (15) 0.09012 (7) 1.10583 (9) 0.0168 (3)
C25 0.9381 (2) 0.05274 (10) 1.16731 (14) 0.0154 (4)
O26 1.00007 (16) 0.00371 (7) 1.14311 (10) 0.0237 (4)
C27 0.9612 (2) 0.07873 (10) 1.26731 (14) 0.0153 (4)
C28 0.8754 (2) 0.13006 (11) 1.29508 (14) 0.0194 (5)
H28 0.7979 0.1484 1.2508 0.023*
C29 0.9062 (2) 0.15358 (12) 1.38896 (15) 0.0252 (5)
H29 0.8491 0.1878 1.4077 0.03*
C30 1.0214 (2) 0.12650 (11) 1.45491 (15) 0.0231 (5)
H30 1.0417 0.1428 1.5178 0.028*
C31 1.1063 (2) 0.07552 (11) 1.42812 (15) 0.0227 (5)
H31 1.1832 0.0571 1.4728 0.027*
C32 1.0765 (2) 0.05194 (10) 1.33430 (14) 0.0187 (5)
H32 1.1342 0.0179 1.316 0.022*
O33 0.82270 (15) 0.29278 (7) 0.90665 (10) 0.0200 (3)
H33 0.8271 0.2993 0.9642 0.03*
O34 0.55698 (14) 0.03544 (7) 0.72690 (9) 0.0188 (3)
C35 0.4129 (2) 0.01081 (12) 0.69395 (15) 0.0232 (5)
H35A 0.3957 −0.0281 0.7322 0.028*
H35B 0.343 0.046 0.7007 0.028*
O36 0.39527 (17) −0.00779 (8) 0.59939 (11) 0.0289 (4)
C37 0.4715 (3) −0.06965 (12) 0.58715 (17) 0.0315 (6)
H37C 0.5739 −0.0637 0.6126 0.047*
H37A 0.4566 −0.0805 0.5199 0.047*
H37B 0.4349 −0.1061 0.6207 0.047*