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. 2016 Jun 14;72(Pt 7):951–954. doi: 10.1107/S2056989016008999
x y z Uiso*/Ueq
O1 0.40310 (9) 0.79734 (13) 0.24104 (8) 0.0566 (3)
C1 1.3086 (2) −0.0296 (3) 0.5552 (2) 0.1030 (8)
H1A 1.2688 −0.0661 0.4904 0.155*
H1B 1.3627 −0.0959 0.5878 0.155*
H1C 1.3447 0.0551 0.5433 0.155*
C2 1.23138 (15) −0.00168 (18) 0.62283 (15) 0.0675 (5)
H2A 1.1963 −0.0870 0.6375 0.081*
H2B 1.2702 0.0384 0.6877 0.081*
O3 1.14975 (10) 0.09453 (12) 0.56841 (10) 0.0647 (3)
C4 1.07204 (13) 0.13648 (19) 0.61646 (13) 0.0577 (4)
C5 0.99507 (12) 0.23783 (16) 0.55419 (12) 0.0512 (4)
C6 0.92059 (14) 0.3074 (2) 0.60045 (14) 0.0636 (5)
H6 0.9217 0.2925 0.6701 0.076*
C7 0.84532 (14) 0.3980 (2) 0.54458 (14) 0.0609 (4)
H7 0.7960 0.4438 0.5767 0.073*
C8 0.84222 (11) 0.42174 (15) 0.44046 (12) 0.0461 (3)
N1 0.75716 (9) 0.50849 (13) 0.38633 (9) 0.0464 (3)
C10 0.77038 (12) 0.57994 (15) 0.30896 (12) 0.0472 (3)
C11 0.68431 (12) 0.66679 (15) 0.24840 (11) 0.0442 (3)
C12 0.58421 (12) 0.68797 (15) 0.27877 (11) 0.0449 (3)
H12 0.5723 0.6466 0.3389 0.054*
C13 0.50380 (11) 0.76950 (14) 0.22013 (11) 0.0416 (3)
C14 0.52011 (11) 0.83080 (14) 0.12814 (10) 0.0419 (3)
O15 0.44049 (9) 0.90702 (12) 0.06788 (8) 0.0514 (3)
C16 0.38242 (16) 0.7484 (3) 0.33611 (15) 0.0777 (6)
H16A 0.3899 0.6493 0.3391 0.117*
H16B 0.3089 0.7735 0.3410 0.117*
H16C 0.4344 0.7893 0.3925 0.117*
O17 1.06660 (13) 0.09730 (18) 0.70144 (12) 0.0924 (5)
C18 0.99445 (13) 0.26473 (18) 0.45153 (13) 0.0565 (4)
H18 1.0455 0.2211 0.4202 0.068*
C19 0.91880 (13) 0.35567 (18) 0.39485 (12) 0.0545 (4)
H19 0.9193 0.3726 0.3258 0.065*
C20 0.70063 (12) 0.73037 (17) 0.15876 (12) 0.0504 (4)
H20 0.7673 0.7185 0.1387 0.060*
C21 0.61918 (12) 0.81096 (16) 0.09903 (11) 0.0492 (4)
H21 0.6312 0.8521 0.0389 0.059*
H15 0.3862 (18) 0.925 (2) 0.0989 (16) 0.077 (6)*
H10 0.8383 (16) 0.5785 (18) 0.2855 (14) 0.060 (5)*