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. 2015 May 13;71(Pt 6):609–617. doi: 10.1107/S2056989015008233
x y z Uiso*/Ueq
N1 0.42983 (12) 0.87307 (15) 0.45790 (10) 0.0272 (4)
C2 0.42690 (13) 0.78272 (18) 0.42079 (11) 0.0249 (4)
Cl2 0.52936 (3) 0.72811 (5) 0.39507 (3) 0.03655 (16)
C3 0.35033 (14) 0.72343 (17) 0.40030 (10) 0.0226 (4)
C4 0.27189 (13) 0.76626 (18) 0.42260 (11) 0.0224 (4)
H4 0.2185 0.7297 0.4106 0.027*
C4A 0.26987 (13) 0.86525 (18) 0.46363 (11) 0.0219 (4)
C5 0.19142 (14) 0.91446 (18) 0.48888 (11) 0.0253 (4)
H5 0.1366 0.8805 0.4780 0.030*
C6 0.19242 (15) 1.00976 (18) 0.52857 (11) 0.0267 (4)
C7 0.27500 (15) 1.05991 (19) 0.54421 (12) 0.0302 (5)
H7 0.2765 1.1261 0.5716 0.036*
C8 0.35220 (15) 1.01485 (19) 0.52062 (12) 0.0299 (5)
H8 0.4066 1.0499 0.5316 0.036*
C8A 0.35123 (14) 0.91644 (17) 0.48007 (11) 0.0242 (4)
C37 0.35875 (13) 0.61865 (18) 0.35765 (11) 0.0243 (4)
H37A 0.3916 0.6338 0.3137 0.029*
H37B 0.3909 0.5610 0.3846 0.029*
O31 0.27182 (9) 0.58119 (13) 0.34187 (8) 0.0254 (3)
C31 0.26370 (13) 0.48636 (18) 0.30374 (11) 0.0224 (4)
C32 0.17885 (14) 0.45623 (18) 0.28094 (11) 0.0236 (4)
C33 0.16860 (15) 0.36086 (18) 0.23979 (11) 0.0267 (4)
H33 0.1116 0.3399 0.2240 0.032*
C34 0.24049 (16) 0.29669 (19) 0.22183 (11) 0.0271 (5)
Br34 0.22547 (2) 0.17010 (2) 0.16308 (2) 0.03596 (12)
C35 0.32387 (16) 0.32597 (18) 0.24421 (12) 0.0297 (5)
H35 0.3731 0.2813 0.2317 0.036*
C36 0.33537 (14) 0.42003 (18) 0.28463 (11) 0.0273 (5)
H36 0.3928 0.4401 0.2997 0.033*
C38 0.09631 (14) 0.5209 (2) 0.29458 (12) 0.0309 (5)
O38 0.03146 (13) 0.5097 (2) 0.25963 (13) 0.0739 (8)
O39 0.10112 (11) 0.59054 (16) 0.34798 (9) 0.0380 (4)
C39 0.02126 (19) 0.6494 (3) 0.36541 (18) 0.0522 (7)
H39A 0.0089 0.7052 0.3291 0.078*
H39B 0.0283 0.6866 0.4109 0.078*
H39C −0.0277 0.5963 0.3680 0.078*
C61 0.10926 (16) 1.0618 (2) 0.55704 (13) 0.0365 (5)
H61A 0.0590 1.0382 0.5284 0.055*
H61B 0.1145 1.1432 0.5555 0.055*
H61C 0.1003 1.0376 0.6057 0.055*