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. 2021 Sep 3;77(Pt 10):989–993. doi: 10.1107/S2056989021008823
O1A—C4A 1.235 (4) O1B—C4B 1.239 (4)
N1A—C2A 1.291 (5) N1B—C2B 1.290 (5)
N1A—C8AA 1.397 (4) N1B—C8AB 1.391 (4)
C2A—N3A 1.369 (4) C2B—N3B 1.364 (4)
C2A—H2A 0.9300 C2B—H2B 0.9300
N3A—C4A 1.376 (4) N3B—C4B 1.366 (4)
N3A—H3A 0.94 (3) N3B—H3B 0.92 (2)
C4A—C4AA 1.457 (4) C4B—C4AB 1.461 (5)
C4AA—C5A 1.397 (4) C4AB—C5B 1.393 (5)
C4AA—C8AA 1.405 (4) C4AB—C8AB 1.408 (4)
C5A—C6A 1.395 (5) C5B—C6B 1.387 (5)
C5A—H5A 0.9300 C5B—H5B 0.9300
C6A—N9A 1.374 (4) C6B—N9B 1.392 (5)
C6A—C7A 1.417 (5) C6B—C7B 1.413 (5)
C7A—C8A 1.365 (5) C7B—C8B 1.370 (5)
C7A—H7A 0.9300 C7B—H7B 0.9300
C8A—C8AA 1.403 (5) C8B—C8AB 1.400 (5)
C8A—H8A 0.9300 C8B—H8B 0.9300
N9A—H9AA 0.93 (4) N9B—H9BB 0.90 (5)
N9A—H9AB 0.81 (4) N9B—H9BA 0.93 (5)
C2A—N1A—C8AA 116.3 (3) C2B—N1B—C8AB 116.6 (3)
N1A—C2A—N3A 124.8 (3) N1B—C2B—N3B 124.9 (3)
N1A—C2A—H2A 117.6 N1B—C2B—H2B 117.6
N3A—C2A—H2A 117.6 N3B—C2B—H2B 117.6
C2A—N3A—C4A 123.2 (3) C2B—N3B—C4B 123.0 (3)
C2A—N3A—H3A 120 (2) C2B—N3B—H3B 123 (2)
C4A—N3A—H3A 117 (2) C4B—N3B—H3B 114 (2)
O1A—C4A—N3A 120.9 (3) O1B—C4B—N3B 121.3 (3)
O1A—C4A—C4AA 124.9 (3) O1B—C4B—C4AB 123.9 (3)
N3A—C4A—C4AA 114.3 (3) N3B—C4B—C4AB 114.7 (3)
C5A—C4AA—C8AA 120.8 (3) C5B—C4AB—C8AB 121.0 (3)
C5A—C4AA—C4A 120.6 (3) C5B—C4AB—C4B 120.9 (3)
C8AA—C4AA—C4A 118.6 (3) C8AB—C4AB—C4B 118.1 (3)
C6A—C5A—C4AA 120.7 (3) C6B—C5B—C4AB 120.6 (3)
C6A—C5A—H5A 119.6 C6B—C5B—H5B 119.7
C4AA—C5A—H5A 119.6 C4AB—C5B—H5B 119.7
N9A—C6A—C5A 121.7 (3) C5B—C6B—N9B 121.0 (3)
N9A—C6A—C7A 120.4 (3) C5B—C6B—C7B 118.1 (3)
C5A—C6A—C7A 117.8 (3) N9B—C6B—C7B 120.8 (3)
C8A—C7A—C6A 121.5 (3) C8B—C7B—C6B 121.6 (3)
C8A—C7A—H7A 119.3 C8B—C7B—H7B 119.2
C6A—C7A—H7A 119.3 C6B—C7B—H7B 119.2
C7A—C8A—C8AA 121.0 (3) C7B—C8B—C8AB 120.7 (3)
C7A—C8A—H8A 119.5 C7B—C8B—H8B 119.7
C8AA—C8A—H8A 119.5 C8AB—C8B—H8B 119.7
N1A—C8AA—C8A 119.0 (3) N1B—C8AB—C8B 119.4 (3)
N1A—C8AA—C4AA 122.8 (3) N1B—C8AB—C4AB 122.6 (3)
C8A—C8AA—C4AA 118.2 (3) C8B—C8AB—C4AB 118.0 (3)
C6A—N9A—H9AA 117 (3) C6B—N9B—H9BB 113 (3)
C6A—N9A—H9AB 116 (3) C6B—N9B—H9BA 116 (3)
H9AA—N9A—H9AB 116 (4) H9BB—N9B—H9BA 113 (4)
C8AA—N1A—C2A—N3A −0.4 (5) C8AB—N1B—C2B—N3B −0.9 (5)
N1A—C2A—N3A—C4A 0.2 (5) N1B—C2B—N3B—C4B 1.6 (5)
C2A—N3A—C4A—O1A −179.7 (3) C2B—N3B—C4B—O1B 178.9 (3)
C2A—N3A—C4A—C4AA −0.1 (4) C2B—N3B—C4B—C4AB −0.8 (4)
O1A—C4A—C4AA—C5A −0.5 (5) O1B—C4B—C4AB—C5B −0.2 (5)
N3A—C4A—C4AA—C5A 179.9 (3) N3B—C4B—C4AB—C5B 179.5 (3)
O1A—C4A—C4AA—C8AA 179.8 (3) O1B—C4B—C4AB—C8AB 179.8 (3)
N3A—C4A—C4AA—C8AA 0.2 (4) N3B—C4B—C4AB—C8AB −0.5 (4)
C8AA—C4AA—C5A—C6A 0.1 (5) C8AB—C4AB—C5B—C6B 0.2 (5)
C4A—C4AA—C5A—C6A −179.6 (3) C4B—C4AB—C5B—C6B −179.8 (3)
C4AA—C5A—C6A—N9A 177.6 (3) C4AB—C5B—C6B—N9B −177.5 (3)
C4AA—C5A—C6A—C7A −0.1 (5) C4AB—C5B—C6B—C7B −0.6 (5)
N9A—C6A—C7A—C8A −177.4 (3) C5B—C6B—C7B—C8B 0.4 (5)
C5A—C6A—C7A—C8A 0.4 (5) N9B—C6B—C7B—C8B 177.3 (3)
C6A—C7A—C8A—C8AA −0.6 (5) C6B—C7B—C8B—C8AB 0.2 (5)
C2A—N1A—C8AA—C8A −179.3 (3) C2B—N1B—C8AB—C8B −179.7 (3)
C2A—N1A—C8AA—C4AA 0.6 (5) C2B—N1B—C8AB—C4AB −0.5 (5)
C7A—C8A—C8AA—N1A −179.6 (3) C7B—C8B—C8AB—N1B 178.6 (3)
C7A—C8A—C8AA—C4AA 0.5 (5) C7B—C8B—C8AB—C4AB −0.6 (5)
C5A—C4AA—C8AA—N1A 179.8 (3) C5B—C4AB—C8AB—N1B −178.8 (3)
C4A—C4AA—C8AA—N1A −0.5 (4) C4B—C4AB—C8AB—N1B 1.2 (5)
C5A—C4AA—C8AA—C8A −0.3 (4) C5B—C4AB—C8AB—C8B 0.4 (4)
C4A—C4AA—C8AA—C8A 179.4 (3) C4B—C4AB—C8AB—C8B −179.6 (3)