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. 2009 Feb 18;65(Pt 3):o542. doi: 10.1107/S1600536809004590
x y z Uiso*/Ueq
P1 0.18196 (9) 0.21056 (9) 0.45935 (4) 0.02233 (18)
O1 0.3253 (2) 0.3074 (2) 0.53572 (11) 0.0272 (4)
C111 0.2511 (3) 0.0876 (3) 0.37091 (16) 0.0217 (6)
N112 0.1239 (3) −0.0366 (3) 0.30732 (14) 0.0267 (5)
C113 0.1759 (4) −0.1218 (4) 0.24034 (17) 0.0320 (7)
H113 0.0879 −0.2109 0.195 0.038*
C114 0.3487 (4) −0.0891 (4) 0.23254 (18) 0.0320 (7)
H114 0.3782 −0.1528 0.1831 0.038*
C115 0.4767 (4) 0.0385 (4) 0.29857 (19) 0.0372 (8)
H115 0.5969 0.0641 0.2957 0.045*
C116 0.4284 (3) 0.1287 (4) 0.36902 (18) 0.0313 (7)
H116 0.5146 0.2172 0.4153 0.038*
C121 0.1197 (3) 0.3509 (3) 0.41523 (15) 0.0227 (6)
N122 −0.0518 (3) 0.2959 (3) 0.38395 (15) 0.0300 (6)
C123 −0.0959 (4) 0.4009 (4) 0.35135 (19) 0.0352 (7)
H123 −0.216 0.3661 0.3298 0.042*
C124 0.0236 (4) 0.5571 (4) 0.34727 (17) 0.0310 (7)
H124 −0.0142 0.6263 0.3228 0.037*
C125 0.1972 (4) 0.6111 (4) 0.37892 (17) 0.0316 (7)
H125 0.2816 0.7184 0.3773 0.038*
C126 0.2464 (3) 0.5055 (3) 0.41316 (16) 0.0256 (6)
H126 0.3659 0.5388 0.4351 0.031*
C10 −0.0180 (3) 0.0583 (3) 0.47773 (16) 0.0242 (6)
H10A −0.0786 0.121 0.5142 0.029*
H10B −0.0962 −0.0124 0.4216 0.029*
P2 0.68020 (8) 0.27338 (9) 0.04404 (4) 0.02132 (18)
O2 0.7095 (2) 0.3187 (2) −0.03767 (11) 0.0278 (4)
C211 0.6499 (3) 0.4398 (3) 0.12649 (16) 0.0213 (6)
N212 0.6135 (3) 0.4071 (3) 0.20118 (14) 0.0279 (5)
C213 0.6005 (4) 0.5335 (4) 0.26420 (18) 0.0327 (7)
H213 0.5758 0.5138 0.3179 0.039*
C214 0.6210 (3) 0.6903 (4) 0.2556 (2) 0.0358 (7)
H214 0.6111 0.7759 0.3025 0.043*
C215 0.6559 (3) 0.7211 (4) 0.1781 (2) 0.0347 (7)
H215 0.6695 0.8277 0.1702 0.042*
C216 0.6707 (3) 0.5931 (4) 0.11223 (19) 0.0299 (7)
H216 0.6949 0.61 0.058 0.036*
C221 0.8672 (3) 0.2545 (3) 0.09411 (16) 0.0218 (6)
N222 0.8365 (3) 0.1354 (3) 0.13511 (14) 0.0285 (5)
C223 0.9776 (4) 0.1286 (4) 0.17259 (18) 0.0335 (7)
H223 0.9594 0.0457 0.2022 0.04*
C224 1.1484 (4) 0.2342 (4) 0.17114 (18) 0.0330 (7)
H224 1.2439 0.2227 0.1984 0.04*
C225 1.1771 (3) 0.3559 (4) 0.12949 (18) 0.0342 (7)
H225 1.2929 0.4316 0.1281 0.041*
C226 1.0340 (3) 0.3661 (4) 0.08959 (17) 0.0278 (6)
H226 1.0498 0.4481 0.0596 0.033*
C20 0.4938 (3) 0.0766 (3) 0.03363 (16) 0.0212 (6)
H20A 0.4874 0.0554 0.0905 0.025*
H20B 0.3853 0.0876 0.0159 0.025*