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. 2012 May 5;68(Pt 6):o1642. doi: 10.1107/S1600536812018454
x y z Uiso*/Ueq
F1 0.06331 (9) 0.07121 (12) 0.14879 (7) 0.0506 (4)
N3 0.73647 (12) −0.01216 (15) 0.27605 (9) 0.0291 (4)
O1 0.54633 (11) 0.01888 (14) 0.36550 (8) 0.0389 (4)
C8 0.62355 (15) −0.06156 (19) 0.24237 (11) 0.0289 (4)
C16 0.18387 (18) −0.0239 (2) 0.25987 (13) 0.0340 (5)
C17 0.29747 (16) −0.06191 (18) 0.29689 (11) 0.0290 (4)
C12 0.39893 (16) −0.02771 (18) 0.25277 (11) 0.0290 (4)
N2 0.76525 (14) 0.11901 (16) 0.27051 (10) 0.0378 (4)
N4 0.30375 (13) −0.13062 (16) 0.37147 (9) 0.0320 (4)
C13 0.38080 (18) 0.02722 (19) 0.17088 (12) 0.0336 (5)
C6 0.70879 (16) −0.19160 (19) 0.12221 (11) 0.0291 (4)
C11 0.52247 (16) −0.02255 (19) 0.29265 (12) 0.0306 (5)
C7 0.61641 (17) −0.14582 (19) 0.17621 (11) 0.0312 (5)
C3 0.87605 (18) −0.2952 (2) 0.01763 (12) 0.0369 (5)
N1 0.91459 (14) 0.00330 (19) 0.34166 (10) 0.0422 (5)
C5 0.68283 (18) −0.3030 (2) 0.07170 (11) 0.0324 (5)
C2 0.90214 (18) −0.1816 (2) 0.06478 (12) 0.0369 (5)
C1 0.82010 (17) −0.1292 (2) 0.11679 (12) 0.0330 (5)
C15 0.17490 (16) 0.0344 (2) 0.18190 (13) 0.0363 (5)
C18 0.19584 (18) −0.1755 (2) 0.41003 (13) 0.0387 (5)
C10 0.82587 (17) −0.0775 (2) 0.31872 (12) 0.0354 (5)
C9 0.87283 (19) 0.1214 (2) 0.31018 (13) 0.0406 (5)
C14 0.26982 (18) 0.0594 (2) 0.13393 (14) 0.0365 (5)
C4 0.76540 (19) −0.3541 (2) 0.01975 (12) 0.0365 (5)
C21 0.40905 (18) −0.2063 (2) 0.40537 (14) 0.0392 (5)
C20 0.3575 (2) −0.3164 (2) 0.45719 (15) 0.0446 (6)
C19 0.2455 (2) −0.2535 (3) 0.48764 (15) 0.0477 (6)
H15 0.5351 (16) −0.1852 (18) 0.1620 (10) 0.031 (5)*
H23 0.1166 (17) −0.0388 (19) 0.2867 (12) 0.038 (6)*
H3A 0.4540 (15) −0.2398 (18) 0.3554 (11) 0.037 (5)*
H5 0.2578 (17) 0.1005 (19) 0.0796 (12) 0.042 (6)*
H12 0.6041 (17) −0.3451 (19) 0.0728 (11) 0.036 (5)*
H7 0.8209 (17) −0.174 (2) 0.3276 (12) 0.044 (6)*
H8A 0.1441 (17) −0.096 (2) 0.4266 (11) 0.043 (6)*
H2A 0.3393 (17) −0.396 (2) 0.4217 (12) 0.044 (6)*
H18 0.4500 (16) 0.0451 (18) 0.1429 (12) 0.037 (5)*
H6 0.9173 (18) 0.205 (2) 0.3160 (12) 0.048 (6)*
H4 0.7450 (17) −0.432 (2) −0.0150 (12) 0.041 (6)*
H14 0.9352 (18) −0.332 (2) −0.0180 (11) 0.047 (6)*
H11 0.9777 (18) −0.1339 (19) 0.0632 (11) 0.039 (5)*
H8B 0.1457 (18) −0.2321 (19) 0.3678 (12) 0.046 (6)*
H10 0.8385 (17) −0.0451 (19) 0.1478 (12) 0.044 (6)*
H3B 0.4656 (19) −0.144 (2) 0.4417 (13) 0.057 (7)*
H1A 0.1847 (19) −0.322 (2) 0.5052 (13) 0.060 (7)*
H2B 0.4184 (19) −0.346 (2) 0.5040 (12) 0.049 (6)*
H1B 0.267 (2) −0.193 (2) 0.5352 (14) 0.068 (8)*