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. 2009 Aug 29;65(Pt 9):m1149. doi: 10.1107/S1600536809033893
x y z Uiso*/Ueq
C1 0.2396 (2) 0.5043 (3) 0.48533 (12) 0.0379 (5)
N1 −0.07005 (15) −0.0094 (2) 0.29964 (10) 0.0336 (4)
O1 −0.05381 (13) 0.28914 (19) 0.30382 (8) 0.0365 (4)
S1 0.28934 (7) 0.42402 (10) 0.55206 (4) 0.0571 (2)
H3A 0.2872 0.2970 0.5459 0.086*
Zn1 0.0000 0.13605 (4) 0.2500 0.03067 (13)
C2 0.2944 (2) 0.6098 (3) 0.45584 (13) 0.0364 (5)
H2 −0.251 (3) −0.178 (4) 0.3375 (18) 0.058 (10)*
N2 −0.18947 (19) −0.1506 (2) 0.33454 (12) 0.0412 (5)
O2 0.10600 (13) 0.25971 (19) 0.33887 (9) 0.0366 (4)
S2 0.41436 (6) 0.66341 (9) 0.48428 (4) 0.0489 (2)
H3B 0.4310 0.7829 0.4676 0.073*
C3 0.2536 (2) 0.6715 (3) 0.40205 (13) 0.0403 (6)
H3 0.2896 0.7431 0.3821 0.048*
C4 0.1594 (2) 0.6260 (3) 0.37831 (13) 0.0415 (6)
H4 0.1317 0.6689 0.3427 0.050*
C5 0.10476 (19) 0.5171 (3) 0.40649 (12) 0.0361 (5)
C6 0.1456 (2) 0.4587 (3) 0.46066 (12) 0.0393 (5)
H6 0.1093 0.3877 0.4808 0.047*
C7 0.0069 (2) 0.4586 (3) 0.37719 (14) 0.0422 (6)
H7A −0.0251 0.5320 0.3515 0.051*
H7B −0.0406 0.4356 0.4097 0.051*
C8 0.02273 (18) 0.3261 (3) 0.33751 (11) 0.0312 (4)
C9 −0.0334 (2) −0.0732 (3) 0.35314 (13) 0.0417 (6)
H9 0.0316 −0.0587 0.3714 0.050*
C10 −0.1071 (2) −0.1607 (3) 0.37499 (15) 0.0449 (6)
H10 −0.1024 −0.2166 0.4106 0.054*
C11 −0.16510 (19) −0.0582 (3) 0.28945 (12) 0.0370 (5)
C12 −0.2349 (2) −0.0175 (4) 0.23679 (16) 0.0590 (9)
H12A −0.2573 0.0791 0.2420 0.088*
H12B −0.2938 −0.0795 0.2355 0.088*
H12C −0.1987 −0.0257 0.1987 0.088*