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. 2011 Feb 19;67(Pt 3):o653. doi: 10.1107/S1600536811005241
x y z Uiso*/Ueq
P1 0.02509 (4) 0.14885 (4) 0.16800 (3) 0.02754 (12)
P2 0.60901 (4) −0.02370 (5) 0.25072 (3) 0.02917 (13)
S1 0.01168 (5) 0.17732 (6) 0.26343 (3) 0.04165 (15)
S2 0.15513 (4) 0.02823 (5) 0.16946 (3) 0.03550 (14)
S3 0.16030 (4) −0.35504 (4) 0.03186 (3) 0.03270 (13)
S4 0.57301 (6) −0.06480 (7) 0.33906 (3) 0.05122 (17)
S5 0.46376 (4) 0.01769 (5) 0.17901 (3) 0.03259 (13)
S6 0.48755 (4) 0.34626 (5) −0.00393 (3) 0.03301 (13)
O1 −0.07804 (11) 0.09769 (14) 0.11286 (7) 0.0355 (3)
O2 0.04167 (15) 0.26370 (13) 0.12160 (8) 0.0459 (4)
O3 0.31042 (11) −0.17257 (13) 0.05006 (8) 0.0363 (3)
O4 −0.05059 (11) −0.37521 (12) 0.03211 (8) 0.0338 (3)
O5 0.69519 (11) 0.08288 (13) 0.25149 (7) 0.0326 (3)
O6 0.67189 (12) −0.12180 (13) 0.21387 (8) 0.0347 (3)
O7 0.35232 (12) 0.15068 (14) −0.01300 (8) 0.0412 (4)
O8 0.67746 (11) 0.41371 (13) 0.07718 (8) 0.0351 (3)
N1 0.13193 (12) −0.12835 (14) 0.05709 (8) 0.0243 (3)
N2 0.02836 (13) −0.18037 (14) 0.05340 (9) 0.0263 (3)
N3 0.51734 (13) 0.14990 (15) 0.06949 (9) 0.0283 (4)
N4 0.60999 (13) 0.22068 (15) 0.09789 (8) 0.0269 (3)
C1 −0.14361 (19) −0.0019 (2) 0.13290 (14) 0.0459 (6)
H1A −0.2042 −0.0227 0.0927 0.069*
H1B −0.1742 0.0246 0.1730 0.069*
H1C −0.0967 −0.0748 0.1465 0.069*
C2 0.1050 (3) 0.3680 (3) 0.14990 (15) 0.0700 (9)
H2A 0.1047 0.4285 0.1122 0.105*
H2B 0.1813 0.3423 0.1703 0.105*
H2C 0.0731 0.4055 0.1869 0.105*
C3 0.14752 (16) 0.00052 (17) 0.07483 (10) 0.0273 (4)
H3A 0.0853 0.0487 0.0464 0.033*
H3B 0.2167 0.0298 0.0626 0.033*
C4 0.21602 (15) −0.20269 (17) 0.04761 (10) 0.0259 (4)
C5 0.03364 (15) −0.29610 (17) 0.04052 (10) 0.0263 (4)
C6 −0.15623 (17) −0.31980 (19) 0.03375 (14) 0.0383 (5)
H6A −0.2133 −0.3842 0.0272 0.057*
H6B −0.1755 −0.2586 −0.0043 0.057*
H6C −0.1515 −0.2791 0.0795 0.057*
C7 0.6764 (2) 0.2031 (2) 0.27938 (12) 0.0426 (5)
H7A 0.7376 0.2585 0.2760 0.064*
H7B 0.6721 0.1949 0.3291 0.064*
H7C 0.6069 0.2375 0.2520 0.064*
C8 0.6314 (2) −0.2470 (2) 0.20117 (15) 0.0536 (7)
H8A 0.6811 −0.2940 0.1780 0.080*
H8B 0.5570 −0.2456 0.1705 0.080*
H8C 0.6287 −0.2864 0.2464 0.080*
C9 0.50949 (17) 0.02671 (18) 0.09544 (10) 0.0291 (4)
H9A 0.5829 −0.0133 0.1020 0.035*
H9B 0.4572 −0.0210 0.0591 0.035*
C10 0.43898 (16) 0.19916 (19) 0.01633 (11) 0.0305 (4)
C11 0.60347 (16) 0.32287 (18) 0.06415 (10) 0.0275 (4)
C12 0.7657 (2) 0.3958 (2) 0.13932 (13) 0.0494 (6)
H12A 0.8163 0.4666 0.1448 0.074*
H12B 0.8063 0.3199 0.1339 0.074*
H12C 0.7342 0.3887 0.1813 0.074*