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. 2008 Dec 17;65(Pt 1):o126. doi: 10.1107/S1600536808042165
x y z Uiso*/Ueq
N1 0.45958 (12) 0.2679 (4) 0.41243 (11) 0.0227 (5)
N2 0.44655 (12) 0.1498 (4) 0.29112 (11) 0.0228 (5)
N3 0.50228 (12) 0.3557 (4) 0.31965 (12) 0.0232 (5)
H3N 0.5206 (17) 0.441 (6) 0.2883 (17) 0.034 (8)*
N4 0.55437 (15) 0.6210 (5) 0.43462 (14) 0.0306 (5)
H4A 0.5543 (18) 0.650 (6) 0.483 (2) 0.047 (9)*
H4B 0.5900 (18) 0.694 (6) 0.4217 (17) 0.038 (8)*
C1 0.36387 (14) −0.0976 (5) 0.34673 (13) 0.0221 (5)
C2 0.32601 (15) −0.2542 (5) 0.28099 (14) 0.0275 (6)
H2 0.3384 −0.2297 0.2369 0.033*
C3 0.26999 (16) −0.4464 (5) 0.27973 (16) 0.0326 (6)
H3 0.2450 −0.5525 0.2349 0.039*
C4 0.25056 (16) −0.4837 (5) 0.34337 (16) 0.0317 (6)
H4 0.2119 −0.6128 0.3420 0.038*
C5 0.28814 (18) −0.3303 (6) 0.40898 (17) 0.0405 (7)
H5 0.2754 −0.3557 0.4528 0.049*
C6 0.34456 (17) −0.1385 (6) 0.41101 (16) 0.0352 (7)
H6 0.3700 −0.0352 0.4563 0.042*
C7 0.42378 (14) 0.1068 (5) 0.34941 (13) 0.0205 (5)
C8 0.50768 (14) 0.4241 (5) 0.39146 (13) 0.0223 (5)
N5 0.18197 (12) 0.2602 (4) 0.01779 (11) 0.0225 (5)
N6 0.17613 (13) −0.1706 (4) 0.02735 (12) 0.0241 (5)
H6N 0.165 (2) −0.339 (7) 0.0188 (19) 0.057 (10)*
N7 0.25003 (12) −0.1005 (4) 0.08543 (11) 0.0247 (5)
N8 0.31434 (13) 0.3193 (5) 0.12197 (13) 0.0257 (5)
H8A 0.3424 (19) 0.261 (6) 0.1652 (19) 0.042 (9)*
H8B 0.302 (2) 0.500 (7) 0.1168 (19) 0.055 (10)*
C9 0.05728 (14) 0.0322 (5) −0.07822 (14) 0.0237 (5)
C10 0.03648 (17) 0.2181 (5) −0.13815 (16) 0.0341 (7)
H10 0.0741 0.3502 −0.1371 0.041*
C11 −0.04013 (18) 0.2079 (6) −0.19945 (17) 0.0444 (8)
H11 −0.0542 0.3339 −0.2399 0.053*
C12 −0.09593 (17) 0.0147 (6) −0.20168 (17) 0.0423 (8)
H12 −0.1477 0.0092 −0.2435 0.051*
C13 −0.07527 (17) −0.1708 (6) −0.14209 (18) 0.0417 (8)
H13 −0.1131 −0.3025 −0.1432 0.050*
C14 0.00090 (17) −0.1621 (6) −0.08100 (16) 0.0345 (6)
H14A 0.0148 −0.2891 −0.0408 0.041*
C15 0.13744 (15) 0.0420 (5) −0.01207 (13) 0.0219 (5)
C16 0.24976 (14) 0.1614 (5) 0.07732 (13) 0.0198 (5)