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. 2008 Oct 11;64(Pt 11):m1387. doi: 10.1107/S1600536808032285
x y z Uiso*/Ueq
C1 0.0009 (4) 0.7101 (4) 0.49099 (19) 0.0358 (6)
H1 0.0564 0.6478 0.5456 0.043*
C2 −0.1423 (5) 0.8730 (4) 0.4948 (2) 0.0402 (7)
H2 −0.1990 0.9378 0.5502 0.048*
C3 −0.1821 (5) 0.9178 (4) 0.4006 (2) 0.0383 (7)
H3 −0.2725 1.0200 0.3788 0.046*
C4 −0.0578 (4) 0.7640 (3) 0.24350 (18) 0.0260 (5)
C5 0.1109 (5) 0.6225 (4) 0.1068 (2) 0.0381 (7)
H5 0.2239 0.5397 0.0758 0.046*
C6 −0.0462 (5) 0.7197 (4) 0.0532 (2) 0.0388 (7)
H6 −0.0368 0.7019 −0.0137 0.047*
C7 0.5004 (4) 0.6931 (3) 0.4694 (2) 0.0312 (6)
C8 0.2476 (4) 0.1598 (3) 0.21816 (19) 0.0309 (6)
C9 0.6045 (4) 0.3004 (4) 0.1046 (2) 0.0369 (7)
C13 −0.2187 (4) 0.8625 (3) 0.18960 (19) 0.0311 (6)
H13 −0.3319 0.9454 0.2206 0.037*
Cd1 0.5000 0.0000 0.0000 0.02922 (9)
Cd2 0.35673 (3) 0.47371 (2) 0.314014 (13) 0.02935 (8)
N1 0.5156 (4) 0.6693 (3) 0.55123 (18) 0.0419 (6)
N2 0.5526 (4) 0.2304 (3) 0.04926 (19) 0.0445 (6)
N3 0.2614 (4) 0.2620 (3) 0.26533 (18) 0.0438 (6)
N4 0.1055 (3) 0.6441 (3) 0.20341 (16) 0.0298 (5)
N5 0.0489 (3) 0.6539 (3) 0.40006 (16) 0.0311 (5)
N6 −0.0646 (3) 0.7848 (3) 0.34443 (15) 0.0292 (5)
N7 −0.2124 (3) 0.8392 (3) 0.09389 (16) 0.0325 (5)
S1 0.67535 (14) 0.40534 (14) 0.18169 (7) 0.0617 (3)
S2 0.22912 (12) 0.01127 (9) 0.15191 (5) 0.03591 (17)
S3 0.47355 (13) 0.73397 (10) 0.35252 (5) 0.04143 (19)