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. 2017 May 26;73(Pt 6):876–879. doi: 10.1107/S2056989017007381
x y z Uiso*/Ueq
Cl1A 0.49786 (7) 0.24353 (3) 0.83066 (4) 0.0730 (2)
Cl1B 0.96923 (7) 0.24226 (3) 0.84367 (4) 0.0776 (2)
N1A 0.21769 (16) 0.51489 (7) 0.60279 (10) 0.0457 (5)
N2A 0.18787 (17) 0.55321 (8) 0.67697 (11) 0.0457 (5)
N3A 0.39006 (18) 0.44024 (8) 0.58852 (12) 0.0492 (6)
N4A 0.55691 (19) 0.39198 (9) 0.47173 (13) 0.0511 (6)
C1A 0.27518 (18) 0.54304 (9) 0.76473 (12) 0.0415 (6)
C2A 0.36726 (19) 0.49617 (9) 0.74824 (12) 0.0461 (6)
C3A 0.32764 (18) 0.48054 (9) 0.64684 (12) 0.0411 (6)
C4A 0.46130 (18) 0.38147 (8) 0.61844 (12) 0.0403 (6)
C5A 0.54902 (18) 0.35744 (9) 0.55934 (13) 0.0421 (6)
C6A 0.61960 (19) 0.29883 (9) 0.58605 (14) 0.0518 (7)
C7A 0.6070 (2) 0.26396 (10) 0.66977 (15) 0.0580 (7)
C8A 0.5203 (2) 0.28827 (9) 0.72658 (13) 0.0509 (7)
C9A 0.44765 (19) 0.34626 (9) 0.70194 (12) 0.0460 (6)
C10A 0.26315 (19) 0.57736 (8) 0.85694 (12) 0.0424 (6)
C11A 0.3742 (2) 0.57789 (10) 0.93726 (13) 0.0539 (7)
C12A 0.3656 (2) 0.60944 (11) 1.02456 (15) 0.0625 (8)
C13A 0.2459 (2) 0.64019 (10) 1.03356 (15) 0.0594 (8)
C14A 0.1350 (2) 0.63963 (10) 0.95502 (15) 0.0604 (8)
C15A 0.1432 (2) 0.60866 (9) 0.86679 (14) 0.0533 (7)
N1B 0.72238 (17) 0.52522 (8) 0.62179 (11) 0.0516 (5)
N2B 0.69078 (18) 0.56217 (9) 0.69663 (11) 0.0513 (6)
N3B 0.88215 (17) 0.44361 (8) 0.60966 (12) 0.0488 (6)
N4B 1.04647 (18) 0.39335 (9) 0.49141 (13) 0.0510 (6)
C1B 0.76350 (18) 0.54428 (9) 0.78701 (12) 0.0413 (6)
C2B 0.84788 (18) 0.49384 (9) 0.77092 (12) 0.0451 (6)
C3B 0.81946 (18) 0.48419 (9) 0.66735 (12) 0.0423 (6)
C4B 0.94813 (18) 0.38342 (9) 0.63783 (12) 0.0420 (6)
C5B 1.03456 (18) 0.35833 (9) 0.57797 (13) 0.0441 (6)
C6B 1.0996 (2) 0.29824 (9) 0.60360 (14) 0.0543 (7)
C7B 1.0828 (2) 0.26284 (10) 0.68562 (15) 0.0600 (8)
C8B 0.9971 (2) 0.28790 (10) 0.74217 (14) 0.0539 (7)
C9B 0.93023 (19) 0.34753 (9) 0.71968 (13) 0.0480 (6)
C10B 0.75168 (17) 0.57770 (9) 0.87960 (12) 0.0403 (6)
C11B 0.8117 (2) 0.54986 (10) 0.97074 (13) 0.0515 (7)
C12B 0.8070 (2) 0.58188 (11) 1.05840 (14) 0.0563 (7)
C13B 0.74198 (19) 0.64222 (10) 1.05668 (14) 0.0527 (7)
C14B 0.6804 (2) 0.67007 (10) 0.96768 (15) 0.0573 (7)
C15B 0.6852 (2) 0.63790 (9) 0.87961 (14) 0.0517 (7)
H2NA 0.120 (2) 0.5806 (10) 0.6599 (14) 0.059 (6)*
H3NA 0.3590 (18) 0.4435 (9) 0.5292 (13) 0.042 (5)*
H2A 0.44000 0.47860 0.79430 0.0550*
H4NB 0.631 (2) 0.3782 (9) 0.4504 (15) 0.058 (6)*
H4NA 0.563 (2) 0.4346 (12) 0.4845 (16) 0.076 (7)*
H6A 0.67640 0.28270 0.54700 0.0620*
H7A 0.65550 0.22520 0.68740 0.0700*
H9A 0.39010 0.36150 0.74100 0.0550*
H11A 0.45470 0.55700 0.93240 0.0650*
H12A 0.44070 0.60990 1.07740 0.0750*
H13A 0.24060 0.66100 1.09220 0.0710*
H14A 0.05440 0.66000 0.96080 0.0720*
H15A 0.06800 0.60880 0.81400 0.0640*
H2B 0.91050 0.47090 0.81830 0.0540*
H2NB 0.624 (2) 0.5897 (10) 0.6809 (15) 0.059 (6)*
H3NB 0.8595 (18) 0.4500 (9) 0.5492 (14) 0.045 (5)*
H6B 1.15590 0.28140 0.56470 0.0650*
H4ND 1.063 (2) 0.4357 (11) 0.5059 (15) 0.065 (7)*
H7B 1.12810 0.22320 0.70220 0.0720*
H4NC 1.116 (2) 0.3777 (10) 0.4691 (15) 0.062 (6)*
H9B 0.87370 0.36350 0.75900 0.0580*
H11B 0.85550 0.50940 0.97280 0.0620*
H12B 0.84760 0.56270 1.11850 0.0680*
H13B 0.74000 0.66370 1.11550 0.0630*
H14B 0.63570 0.71020 0.96620 0.0690*
H15B 0.64320 0.65700 0.81980 0.0620*