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. 2015 Feb 18;71(Pt 3):275–277. doi: 10.1107/S2056989015001747
O1A—C22A 1.232 (4) O1B—C22B 1.225 (4)
O2A—N1A 1.410 (3) O2B—N1B 1.418 (3)
O2A—C24A 1.433 (4) O2B—C24B 1.431 (4)
O3A—C3A 1.422 (4) O3B—C3B 1.436 (4)
O3A—H3A 0.86 (4) O3B—H3B 0.83 (4)
N1A—C22A 1.356 (4) N1B—C22B 1.370 (4)
N1A—C23A 1.456 (4) N1B—C23B 1.461 (4)
C1A—C2A 1.535 (4) C1B—C2B 1.523 (4)
C1A—C10A 1.540 (4) C1B—C10B 1.541 (4)
C1A—H1A 0.9900 C1B—H1B 0.9900
C1A—H2A 0.9900 C1B—H2B 0.9900
C2A—C3A 1.503 (5) C2B—C3B 1.503 (4)
C2A—H4A 0.9900 C2B—H4B 0.9900
C2A—H5A 0.9900 C2B—H5B 0.9900
C3A—C4A 1.523 (5) C3B—C4B 1.513 (4)
C3A—H31A 1.0000 C3B—H31B 1.0000
C4A—C5A 1.514 (4) C4B—C5B 1.522 (4)
C4A—H41A 0.9900 C4B—H41B 0.9900
C4A—H42A 0.9900 C4B—H42B 0.9900
C5A—C6A 1.322 (5) C5B—C6B 1.327 (4)
C5A—C10A 1.521 (5) C5B—C10B 1.522 (4)
C6A—C7A 1.499 (4) C6B—C7B 1.501 (4)
C6A—H61A 0.9500 C6B—H61B 0.9500
C7A—C8A 1.523 (5) C7B—C8B 1.524 (4)
C7A—H71A 0.9900 C7B—H71B 0.9900
C7A—H72A 0.9900 C7B—H72B 0.9900
C8A—C14A 1.524 (4) C8B—C14B 1.525 (4)
C8A—C9A 1.542 (4) C8B—C9B 1.532 (4)
C8A—H81A 1.0000 C8B—H81B 1.0000
C9A—C11A 1.538 (4) C9B—C11B 1.535 (4)
C9A—C10A 1.552 (4) C9B—C10B 1.559 (4)
C9A—H91A 1.0000 C9B—H91B 1.0000
C10A—C19A 1.542 (4) C10B—C19B 1.544 (4)
C11A—C12A 1.536 (4) C11B—C12B 1.540 (4)
C11A—H11A 0.9900 C11B—H11B 0.9900
C11A—H11C 0.9900 C11B—H11E 0.9900
C12A—C13A 1.528 (4) C12B—C13B 1.531 (4)
C12A—H12A 0.9900 C12B—H12B 0.9900
C12A—H12C 0.9900 C12B—H12E 0.9900
C13A—C14A 1.541 (4) C13B—C18B 1.535 (4)
C13A—C18A 1.541 (4) C13B—C14B 1.543 (4)
C13A—C17A 1.551 (4) C13B—C17B 1.556 (4)
C14A—C15A 1.522 (4) C14B—C15B 1.523 (4)
C14A—H14A 1.0000 C14B—H14B 1.0000
C15A—C16A 1.546 (4) C15B—C16B 1.550 (4)
C15A—H15A 0.9900 C15B—H15B 0.9900
C15A—H15C 0.9900 C15B—H15E 0.9900
C16A—C17A 1.557 (5) C16B—C17B 1.548 (4)
C16A—H16A 0.9900 C16B—H16B 0.9900
C16A—H16C 0.9900 C16B—H16E 0.9900
C17A—C20A 1.527 (4) C17B—C20B 1.531 (4)
C17A—H17A 1.0000 C17B—H17B 1.0000
C18A—H18A 0.9800 C18B—H18B 0.9800
C18A—H18C 0.9800 C18B—H18E 0.9800
C18A—H18D 0.9800 C18B—H18F 0.9800
C19A—H19A 0.9800 C19B—H19B 0.9800
C19A—H19C 0.9800 C19B—H19E 0.9800
C19A—H19D 0.9800 C19B—H19F 0.9800
C20A—C22A 1.517 (4) C20B—C22B 1.523 (4)
C20A—C21A 1.533 (5) C20B—C21B 1.535 (4)
C20A—H20A 1.0000 C20B—H20B 1.0000
C21A—H21A 0.9800 C21B—H21B 0.9800
C21A—H21C 0.9800 C21B—H21E 0.9800
C21A—H21D 0.9800 C21B—H21F 0.9800
C23A—H23A 0.9800 C23B—H23B 0.9800
C23A—H23C 0.9800 C23B—H23E 0.9800
C23A—H23D 0.9800 C23B—H23F 0.9800
C24A—H24A 0.9800 C24B—H24B 0.9800
C24A—H24C 0.9800 C24B—H24E 0.9800
C24A—H24D 0.9800 C24B—H24F 0.9800
N1A—O2A—C24A 109.5 (2) N1B—O2B—C24B 109.7 (2)
C3A—O3A—H3A 107 (3) C3B—O3B—H3B 107 (2)
C22A—N1A—O2A 117.5 (2) C22B—N1B—O2B 116.2 (2)
C22A—N1A—C23A 123.6 (3) C22B—N1B—C23B 121.2 (2)
O2A—N1A—C23A 113.3 (2) O2B—N1B—C23B 112.2 (2)
C2A—C1A—C10A 114.9 (3) C2B—C1B—C10B 114.4 (3)
C2A—C1A—H1A 108.5 C2B—C1B—H1B 108.7
C10A—C1A—H1A 108.5 C10B—C1B—H1B 108.7
C2A—C1A—H2A 108.5 C2B—C1B—H2B 108.7
C10A—C1A—H2A 108.5 C10B—C1B—H2B 108.7
H1A—C1A—H2A 107.5 H1B—C1B—H2B 107.6
C3A—C2A—C1A 110.0 (3) C3B—C2B—C1B 110.3 (3)
C3A—C2A—H4A 109.7 C3B—C2B—H4B 109.6
C1A—C2A—H4A 109.7 C1B—C2B—H4B 109.6
C3A—C2A—H5A 109.7 C3B—C2B—H5B 109.6
C1A—C2A—H5A 109.7 C1B—C2B—H5B 109.6
H4A—C2A—H5A 108.2 H4B—C2B—H5B 108.1
O3A—C3A—C2A 108.2 (3) O3B—C3B—C2B 112.1 (3)
O3A—C3A—C4A 111.5 (3) O3B—C3B—C4B 107.1 (2)
C2A—C3A—C4A 110.5 (3) C2B—C3B—C4B 110.7 (2)
O3A—C3A—H31A 108.9 O3B—C3B—H31B 109.0
C2A—C3A—H31A 108.9 C2B—C3B—H31B 109.0
C4A—C3A—H31A 108.9 C4B—C3B—H31B 109.0
C5A—C4A—C3A 113.1 (3) C3B—C4B—C5B 112.5 (3)
C5A—C4A—H41A 109.0 C3B—C4B—H41B 109.1
C3A—C4A—H41A 109.0 C5B—C4B—H41B 109.1
C5A—C4A—H42A 109.0 C3B—C4B—H42B 109.1
C3A—C4A—H42A 109.0 C5B—C4B—H42B 109.1
H41A—C4A—H42A 107.8 H41B—C4B—H42B 107.8
C6A—C5A—C4A 120.8 (3) C6B—C5B—C4B 119.8 (3)
C6A—C5A—C10A 123.3 (3) C6B—C5B—C10B 123.4 (3)
C4A—C5A—C10A 115.8 (3) C4B—C5B—C10B 116.8 (3)
C5A—C6A—C7A 124.9 (3) C5B—C6B—C7B 124.9 (3)
C5A—C6A—H61A 117.5 C5B—C6B—H61B 117.6
C7A—C6A—H61A 117.5 C7B—C6B—H61B 117.6
C6A—C7A—C8A 112.8 (3) C6B—C7B—C8B 113.5 (3)
C6A—C7A—H71A 109.0 C6B—C7B—H71B 108.9
C8A—C7A—H71A 109.0 C8B—C7B—H71B 108.9
C6A—C7A—H72A 109.0 C6B—C7B—H72B 108.9
C8A—C7A—H72A 109.0 C8B—C7B—H72B 108.9
H71A—C7A—H72A 107.8 H71B—C7B—H72B 107.7
C7A—C8A—C14A 111.2 (3) C7B—C8B—C14B 110.3 (3)
C7A—C8A—C9A 109.8 (2) C7B—C8B—C9B 110.5 (2)
C14A—C8A—C9A 110.1 (3) C14B—C8B—C9B 109.3 (2)
C7A—C8A—H81A 108.6 C7B—C8B—H81B 108.9
C14A—C8A—H81A 108.6 C14B—C8B—H81B 108.9
C9A—C8A—H81A 108.6 C9B—C8B—H81B 108.9
C11A—C9A—C8A 112.2 (2) C8B—C9B—C11B 111.4 (2)
C11A—C9A—C10A 113.3 (3) C8B—C9B—C10B 113.3 (2)
C8A—C9A—C10A 112.4 (2) C11B—C9B—C10B 113.1 (2)
C11A—C9A—H91A 106.1 C8B—C9B—H91B 106.1
C8A—C9A—H91A 106.1 C11B—C9B—H91B 106.1
C10A—C9A—H91A 106.1 C10B—C9B—H91B 106.1
C5A—C10A—C1A 108.6 (2) C5B—C10B—C1B 108.9 (2)
C5A—C10A—C19A 108.0 (3) C5B—C10B—C19B 108.6 (3)
C1A—C10A—C19A 109.3 (3) C1B—C10B—C19B 109.4 (3)
C5A—C10A—C9A 110.1 (3) C5B—C10B—C9B 109.8 (3)
C1A—C10A—C9A 109.1 (2) C1B—C10B—C9B 108.9 (2)
C19A—C10A—C9A 111.7 (2) C19B—C10B—C9B 111.3 (2)
C12A—C11A—C9A 114.9 (3) C9B—C11B—C12B 113.9 (3)
C12A—C11A—H11A 108.5 C9B—C11B—H11B 108.8
C9A—C11A—H11A 108.5 C12B—C11B—H11B 108.8
C12A—C11A—H11C 108.5 C9B—C11B—H11E 108.8
C9A—C11A—H11C 108.5 C12B—C11B—H11E 108.8
H11A—C11A—H11C 107.5 H11B—C11B—H11E 107.7
C13A—C12A—C11A 112.0 (3) C13B—C12B—C11B 112.2 (3)
C13A—C12A—H12A 109.2 C13B—C12B—H12B 109.2
C11A—C12A—H12A 109.2 C11B—C12B—H12B 109.2
C13A—C12A—H12C 109.2 C13B—C12B—H12E 109.2
C11A—C12A—H12C 109.2 C11B—C12B—H12E 109.2
H12A—C12A—H12C 107.9 H12B—C12B—H12E 107.9
C12A—C13A—C14A 106.7 (2) C12B—C13B—C18B 110.6 (3)
C12A—C13A—C18A 110.5 (3) C12B—C13B—C14B 106.6 (2)
C14A—C13A—C18A 112.0 (3) C18B—C13B—C14B 112.6 (3)
C12A—C13A—C17A 116.5 (3) C12B—C13B—C17B 117.4 (2)
C14A—C13A—C17A 100.5 (3) C18B—C13B—C17B 110.2 (2)
C18A—C13A—C17A 110.1 (2) C14B—C13B—C17B 98.9 (2)
C15A—C14A—C8A 118.6 (3) C15B—C14B—C8B 118.5 (3)
C15A—C14A—C13A 104.6 (2) C15B—C14B—C13B 105.0 (2)
C8A—C14A—C13A 114.6 (3) C8B—C14B—C13B 115.3 (3)
C15A—C14A—H14A 106.1 C15B—C14B—H14B 105.6
C8A—C14A—H14A 106.1 C8B—C14B—H14B 105.6
C13A—C14A—H14A 106.1 C13B—C14B—H14B 105.6
C14A—C15A—C16A 103.7 (3) C14B—C15B—C16B 103.9 (3)
C14A—C15A—H15A 111.0 C14B—C15B—H15B 111.0
C16A—C15A—H15A 111.0 C16B—C15B—H15B 111.0
C14A—C15A—H15C 111.0 C14B—C15B—H15E 111.0
C16A—C15A—H15C 111.0 C16B—C15B—H15E 111.0
H15A—C15A—H15C 109.0 H15B—C15B—H15E 109.0
C15A—C16A—C17A 107.0 (3) C17B—C16B—C15B 106.3 (2)
C15A—C16A—H16A 110.3 C17B—C16B—H16B 110.5
C17A—C16A—H16A 110.3 C15B—C16B—H16B 110.5
C15A—C16A—H16C 110.3 C17B—C16B—H16E 110.5
C17A—C16A—H16C 110.3 C15B—C16B—H16E 110.5
H16A—C16A—H16C 108.6 H16B—C16B—H16E 108.7
C20A—C17A—C13A 117.8 (3) C20B—C17B—C16B 112.4 (2)
C20A—C17A—C16A 111.6 (3) C20B—C17B—C13B 119.5 (2)
C13A—C17A—C16A 104.0 (3) C16B—C17B—C13B 103.6 (2)
C20A—C17A—H17A 107.7 C20B—C17B—H17B 106.9
C13A—C17A—H17A 107.7 C16B—C17B—H17B 106.9
C16A—C17A—H17A 107.7 C13B—C17B—H17B 106.9
C13A—C18A—H18A 109.5 C13B—C18B—H18B 109.5
C13A—C18A—H18C 109.5 C13B—C18B—H18E 109.5
H18A—C18A—H18C 109.5 H18B—C18B—H18E 109.5
C13A—C18A—H18D 109.5 C13B—C18B—H18F 109.5
H18A—C18A—H18D 109.5 H18B—C18B—H18F 109.5
H18C—C18A—H18D 109.5 H18E—C18B—H18F 109.5
C10A—C19A—H19A 109.5 C10B—C19B—H19B 109.5
C10A—C19A—H19C 109.5 C10B—C19B—H19E 109.5
H19A—C19A—H19C 109.5 H19B—C19B—H19E 109.5
C10A—C19A—H19D 109.5 C10B—C19B—H19F 109.5
H19A—C19A—H19D 109.5 H19B—C19B—H19F 109.5
H19C—C19A—H19D 109.5 H19E—C19B—H19F 109.5
C22A—C20A—C17A 109.9 (3) C22B—C20B—C17B 109.1 (3)
C22A—C20A—C21A 106.3 (3) C22B—C20B—C21B 107.5 (3)
C17A—C20A—C21A 114.6 (3) C17B—C20B—C21B 113.6 (2)
C22A—C20A—H20A 108.6 C22B—C20B—H20B 108.8
C17A—C20A—H20A 108.6 C17B—C20B—H20B 108.8
C21A—C20A—H20A 108.6 C21B—C20B—H20B 108.8
C20A—C21A—H21A 109.5 C20B—C21B—H21B 109.5
C20A—C21A—H21C 109.5 C20B—C21B—H21E 109.5
H21A—C21A—H21C 109.5 H21B—C21B—H21E 109.5
C20A—C21A—H21D 109.5 C20B—C21B—H21F 109.5
H21A—C21A—H21D 109.5 H21B—C21B—H21F 109.5
H21C—C21A—H21D 109.5 H21E—C21B—H21F 109.5
O1A—C22A—N1A 119.4 (3) O1B—C22B—N1B 119.1 (3)
O1A—C22A—C20A 122.3 (3) O1B—C22B—C20B 122.5 (3)
N1A—C22A—C20A 118.3 (3) N1B—C22B—C20B 118.4 (3)
N1A—C23A—H23A 109.5 N1B—C23B—H23B 109.5
N1A—C23A—H23C 109.5 N1B—C23B—H23E 109.5
H23A—C23A—H23C 109.5 H23B—C23B—H23E 109.5
N1A—C23A—H23D 109.5 N1B—C23B—H23F 109.5
H23A—C23A—H23D 109.5 H23B—C23B—H23F 109.5
H23C—C23A—H23D 109.5 H23E—C23B—H23F 109.5
O2A—C24A—H24A 109.5 O2B—C24B—H24B 109.5
O2A—C24A—H24C 109.5 O2B—C24B—H24E 109.5
H24A—C24A—H24C 109.5 H24B—C24B—H24E 109.5
O2A—C24A—H24D 109.5 O2B—C24B—H24F 109.5
H24A—C24A—H24D 109.5 H24B—C24B—H24F 109.5
H24C—C24A—H24D 109.5 H24E—C24B—H24F 109.5
C24A—O2A—N1A—C22A 112.3 (3) C24B—O2B—N1B—C22B 122.9 (3)
C24A—O2A—N1A—C23A −93.4 (3) C24B—O2B—N1B—C23B −91.7 (3)
C10A—C1A—C2A—C3A −57.2 (4) C10B—C1B—C2B—C3B −58.0 (3)
C1A—C2A—C3A—O3A 178.6 (3) C1B—C2B—C3B—O3B 177.7 (2)
C1A—C2A—C3A—C4A 56.3 (4) C1B—C2B—C3B—C4B 58.2 (3)
O3A—C3A—C4A—C5A −174.3 (3) O3B—C3B—C4B—C5B −176.0 (3)
C2A—C3A—C4A—C5A −53.9 (4) C2B—C3B—C4B—C5B −53.5 (4)
C3A—C4A—C5A—C6A −129.7 (3) C3B—C4B—C5B—C6B −131.5 (3)
C3A—C4A—C5A—C10A 50.5 (4) C3B—C4B—C5B—C10B 48.4 (4)
C4A—C5A—C6A—C7A −177.5 (3) C4B—C5B—C6B—C7B −179.6 (3)
C10A—C5A—C6A—C7A 2.3 (5) C10B—C5B—C6B—C7B 0.5 (5)
C5A—C6A—C7A—C8A 12.6 (5) C5B—C6B—C7B—C8B 11.6 (4)
C6A—C7A—C8A—C14A −164.5 (3) C6B—C7B—C8B—C14B −160.5 (2)
C6A—C7A—C8A—C9A −42.5 (3) C6B—C7B—C8B—C9B −39.6 (3)
C7A—C8A—C9A—C11A −170.4 (3) C7B—C8B—C9B—C11B −172.9 (3)
C14A—C8A—C9A—C11A −47.7 (3) C14B—C8B—C9B—C11B −51.4 (3)
C7A—C8A—C9A—C10A 60.5 (3) C7B—C8B—C9B—C10B 58.2 (3)
C14A—C8A—C9A—C10A −176.8 (2) C14B—C8B—C9B—C10B 179.7 (2)
C6A—C5A—C10A—C1A 133.4 (3) C6B—C5B—C10B—C1B 135.2 (3)
C4A—C5A—C10A—C1A −46.8 (4) C4B—C5B—C10B—C1B −44.7 (3)
C6A—C5A—C10A—C19A −108.2 (3) C6B—C5B—C10B—C19B −105.8 (3)
C4A—C5A—C10A—C19A 71.6 (3) C4B—C5B—C10B—C19B 74.3 (3)
C6A—C5A—C10A—C9A 14.0 (4) C6B—C5B—C10B—C9B 16.1 (4)
C4A—C5A—C10A—C9A −166.2 (3) C4B—C5B—C10B—C9B −163.8 (2)
C2A—C1A—C10A—C5A 50.5 (4) C2B—C1B—C10B—C5B 49.4 (3)
C2A—C1A—C10A—C19A −67.1 (4) C2B—C1B—C10B—C19B −69.1 (3)
C2A—C1A—C10A—C9A 170.5 (3) C2B—C1B—C10B—C9B 169.1 (3)
C11A—C9A—C10A—C5A −173.5 (2) C8B—C9B—C10B—C5B −45.2 (3)
C8A—C9A—C10A—C5A −45.0 (3) C11B—C9B—C10B—C5B −173.2 (2)
C11A—C9A—C10A—C1A 67.4 (3) C8B—C9B—C10B—C1B −164.3 (2)
C8A—C9A—C10A—C1A −164.1 (3) C11B—C9B—C10B—C1B 67.7 (3)
C11A—C9A—C10A—C19A −53.5 (4) C8B—C9B—C10B—C19B 75.1 (3)
C8A—C9A—C10A—C19A 75.0 (3) C11B—C9B—C10B—C19B −52.9 (3)
C8A—C9A—C11A—C12A 47.0 (4) C8B—C9B—C11B—C12B 51.4 (3)
C10A—C9A—C11A—C12A 175.6 (3) C10B—C9B—C11B—C12B −179.6 (2)
C9A—C11A—C12A—C13A −52.4 (4) C9B—C11B—C12B—C13B −54.1 (3)
C11A—C12A—C13A—C14A 56.0 (3) C11B—C12B—C13B—C18B −68.3 (3)
C11A—C12A—C13A—C18A −66.0 (3) C11B—C12B—C13B—C14B 54.4 (3)
C11A—C12A—C13A—C17A 167.3 (3) C11B—C12B—C13B—C17B 164.0 (3)
C7A—C8A—C14A—C15A −56.5 (4) C7B—C8B—C14B—C15B −54.4 (4)
C9A—C8A—C14A—C15A −178.3 (3) C9B—C8B—C14B—C15B −176.1 (3)
C7A—C8A—C14A—C13A 179.2 (2) C7B—C8B—C14B—C13B 179.9 (2)
C9A—C8A—C14A—C13A 57.4 (3) C9B—C8B—C14B—C13B 58.3 (3)
C12A—C13A—C14A—C15A 167.5 (2) C12B—C13B—C14B—C15B 168.6 (2)
C18A—C13A—C14A—C15A −71.4 (3) C18B—C13B—C14B—C15B −69.9 (3)
C17A—C13A—C14A—C15A 45.5 (3) C17B—C13B—C14B—C15B 46.4 (3)
C12A—C13A—C14A—C8A −61.0 (3) C12B—C13B—C14B—C8B −59.0 (3)
C18A—C13A—C14A—C8A 60.1 (3) C18B—C13B—C14B—C8B 62.4 (3)
C17A—C13A—C14A—C8A 177.0 (2) C17B—C13B—C14B—C8B 178.8 (2)
C8A—C14A—C15A—C16A −164.3 (3) C8B—C14B—C15B—C16B −162.5 (3)
C13A—C14A—C15A—C16A −35.2 (3) C13B—C14B—C15B—C16B −32.0 (3)
C14A—C15A—C16A—C17A 11.0 (3) C14B—C15B—C16B—C17B 4.4 (3)
C12A—C13A—C17A—C20A 83.7 (3) C15B—C16B—C17B—C20B 154.5 (2)
C14A—C13A—C17A—C20A −161.5 (3) C15B—C16B—C17B—C13B 24.2 (3)
C18A—C13A—C17A—C20A −43.2 (4) C12B—C13B—C17B—C20B 77.7 (3)
C12A—C13A—C17A—C16A −152.3 (3) C18B—C13B—C17B—C20B −50.2 (4)
C14A—C13A—C17A—C16A −37.4 (3) C14B—C13B—C17B—C20B −168.3 (3)
C18A—C13A—C17A—C16A 80.9 (3) C12B—C13B—C17B—C16B −156.4 (3)
C15A—C16A—C17A—C20A 144.9 (2) C18B—C13B—C17B—C16B 75.7 (3)
C15A—C16A—C17A—C13A 16.9 (3) C14B—C13B—C17B—C16B −42.5 (3)
C13A—C17A—C20A—C22A 178.5 (3) C16B—C17B—C20B—C22B 58.9 (3)
C16A—C17A—C20A—C22A 58.3 (3) C13B—C17B—C20B—C22B −179.5 (3)
C13A—C17A—C20A—C21A −62.0 (4) C16B—C17B—C20B—C21B 178.9 (3)
C16A—C17A—C20A—C21A 177.9 (3) C13B—C17B—C20B—C21B −59.5 (4)
O2A—N1A—C22A—O1A 166.4 (3) O2B—N1B—C22B—O1B 162.6 (3)
C23A—N1A—C22A—O1A 14.9 (5) C23B—N1B—C22B—O1B 20.5 (5)
O2A—N1A—C22A—C20A −14.0 (4) O2B—N1B—C22B—C20B −18.9 (4)
C23A—N1A—C22A—C20A −165.5 (3) C23B—N1B—C22B—C20B −161.0 (3)
C17A—C20A—C22A—O1A 37.4 (4) C17B—C20B—C22B—O1B 27.8 (4)
C21A—C20A—C22A—O1A −87.2 (4) C21B—C20B—C22B—O1B −95.8 (4)
C17A—C20A—C22A—N1A −142.2 (3) C17B—C20B—C22B—N1B −150.7 (3)
C21A—C20A—C22A—N1A 93.2 (3) C21B—C20B—C22B—N1B 85.8 (3)