BAI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.40Å	1.45Å	Aromatic
C1	C6	doub	1.40Å	1.43Å	Aromatic
C1	C7	sing	1.45Å	1.40Å
C2	C3	doub	1.40Å	1.41Å	Aromatic
C2	H2	sing	1.09Å	1.08Å
C3	C4	sing	1.39Å	1.38Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	doub	1.39Å	1.35Å	Aromatic
C4	N3	sing	1.37Å	1.29Å	Aromatic
C5	C6	sing	1.40Å	1.38Å	Aromatic
C5	N4	sing	1.38Å	1.32Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C7	N1	sing	1.34Å	1.30Å
C7	N2	doub	1.28Å	1.31Å
C8	C9	sing	1.47Å	1.57Å
C8	N3	sing	1.37Å	1.32Å	Aromatic
C8	N4	doub	1.31Å	1.33Å	Aromatic
C9	C8'	sing	1.52Å	1.54Å
C9	H91	sing	1.11Å	1.10Å
C9	H92	sing	1.11Å	1.10Å
N1	HH11	sing	1.01Å	1.00Å
N1	HH12	sing	1.01Å	1.00Å
N2	HH21	sing	1.03Å	1.00Å
N3	HN3	sing	1.01Å	1.00Å
C1'	C2'	sing	1.40Å	1.42Å	Aromatic
C1'	C6'	doub	1.40Å	1.41Å	Aromatic
C1'	H1'	sing	1.09Å	1.08Å
C2'	C3'	doub	1.40Å	1.41Å	Aromatic
C2'	H2'	sing	1.09Å	1.08Å
C3'	C4'	sing	1.40Å	1.38Å	Aromatic
C3'	H3'	sing	1.08Å	1.08Å
C4'	C5'	doub	1.39Å	1.34Å	Aromatic
C4'	N3'	sing	1.37Å	1.29Å	Aromatic
C5'	C6'	sing	1.41Å	1.37Å	Aromatic
C5'	N4'	sing	1.38Å	1.31Å	Aromatic
C6'	H6'	sing	1.09Å	1.08Å
C8'	N3'	sing	1.34Å	1.31Å	Aromatic
C8'	N4'	doub	1.29Å	1.32Å	Aromatic
N3'	HN3'	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	117.7°	121.0°
C2	C1	C7	122.3°	119.5°
C1	C2	C3	122.0°	121.2°
C1	C2	H2	119.0°	120.0°
C6	C1	C7	120.0°	119.4°
C1	C6	C5	117.8°	118.5°
C1	C6	H6	121.1°	120.9°
C1	C7	N1	118.8°	122.1°
C1	C7	N2	119.5°	120.6°
C3	C2	H2	119.0°	118.8°
C2	C3	C4	115.9°	116.8°
C2	C3	H3	122.1°	121.3°
C4	C3	H3	122.1°	121.9°
C3	C4	C5	123.7°	123.3°
C3	C4	N3	130.8°	132.3°
C5	C4	N3	105.5°	104.4°
C4	C5	C6	122.9°	119.2°
C4	C5	N4	112.9°	110.8°
C4	N3	C8	107.6°	107.8°
C4	N3	HN3	126.2°	126.0°
C6	C5	N4	124.2°	130.0°
C5	C6	H6	121.1°	120.6°
C5	N4	C8	101.1°	105.1°
N1	C7	N2	121.7°	117.3°
C7	N1	HH11	125.0°	120.4°
C7	N1	HH12	109.9°	122.0°
C7	N2	HH21	109.4°	114.7°
C9	C8	N3	124.7°	121.3°
C9	C8	N4	122.4°	126.8°
C8	C9	C8'	113.4°	114.5°
C8	C9	H91	107.3°	111.3°
C8	C9	H92	108.2°	111.3°
N3	C8	N4	112.9°	112.0°
C8	N3	HN3	126.2°	126.2°
C8'	C9	H91	107.3°	108.0°
C8'	C9	H92	108.2°	108.1°
C9	C8'	N3'	123.4°	119.6°
C9	C8'	N4'	123.1°	125.1°
H91	C9	H92	112.6°	102.9°
HH11	N1	HH12	125.0°	117.6°
C2'	C1'	C6'	121.3°	121.0°
C2'	C1'	H1'	119.4°	119.6°
C1'	C2'	C3'	120.4°	121.2°
C1'	C2'	H2'	119.8°	119.4°
C6'	C1'	H1'	119.4°	119.5°
C1'	C6'	C5'	115.7°	118.5°
C1'	C6'	H6'	122.1°	120.5°
C3'	C2'	H2'	119.8°	119.4°
C2'	C3'	C4'	115.5°	116.8°
C2'	C3'	H3'	122.2°	121.4°
C4'	C3'	H3'	122.2°	121.8°
C3'	C4'	C5'	124.0°	123.3°
C3'	C4'	N3'	130.5°	132.3°
C5'	C4'	N3'	105.5°	104.4°
C4'	C5'	C6'	123.1°	119.1°
C4'	C5'	N4'	112.9°	110.8°
C4'	N3'	C8'	107.1°	106.0°
C4'	N3'	HN3'	126.4°	126.0°
C6'	C5'	N4'	124.0°	130.0°
C5'	C6'	H6'	122.2°	121.0°
C5'	N4'	C8'	100.9°	103.4°
N3'	C8'	N4'	113.5°	115.4°
C8'	N3'	HN3'	126.5°	128.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	179.8°	179.9°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.1°
C1	C2	C3	H3	180.0°	179.9°
C2	C1	C6	C5	0.0°	0.0°
C2	C1	C6	H6	180.0°	179.8°
C2	C1	C7	N1	159.9°	30.0°
C2	C1	C7	N2	19.2°	150.1°
C6	C1	C2	C3	0.1°	0.1°
C6	C1	C2	H2	179.9°	180.0°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	H6	180.0°	179.8°
C1	C6	C5	N4	179.6°	180.0°
C6	C1	C7	N1	20.2°	149.9°
C6	C1	C7	N2	160.6°	30.0°
C7	C1	C2	C3	179.9°	179.9°
C7	C1	C2	H2	0.1°	0.0°
C7	C1	C6	C5	179.9°	179.9°
C7	C1	C6	H6	0.1°	0.2°
C1	C7	N1	N2	179.1°	179.9°
C1	C7	N1	HH11	0.0°	1.1°
C1	C7	N1	HH12	180.0°	180.0°
C1	C7	N2	HH21	119.6°	179.9°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.1°
C2	C3	C4	N3	179.9°	180.0°
H2	C2	C3	C4	180.0°	180.0°
H2	C2	C3	H3	0.0°	0.0°
C3	C4	C5	N3	179.9°	180.0°
C3	C4	C5	C6	0.1°	0.0°
C3	C4	C5	N4	179.7°	180.0°
C3	C4	N3	C8	179.8°	180.0°
C3	C4	N3	HN3	0.3°	0.1°
H3	C3	C4	C5	179.9°	179.9°
H3	C3	C4	N3	0.1°	0.0°
C4	C5	C6	N4	179.6°	180.0°
C4	C5	C6	H6	179.9°	179.8°
C5	C4	N3	C8	0.2°	0.0°
C4	C5	N4	C8	0.2°	0.0°
C5	C4	N3	HN3	179.8°	179.9°
N3	C4	C5	C6	179.8°	180.0°
N3	C4	C5	N4	0.2°	0.0°
C4	N3	C8	C9	179.3°	179.9°
C4	N3	C8	HN3	180.0°	179.9°
C4	N3	C8	N4	0.1°	0.0°
C6	C5	N4	C8	179.8°	180.0°
N4	C5	C6	H6	0.4°	0.2°
C5	N4	C8	C9	179.4°	179.9°
C5	N4	C8	N3	0.0°	0.0°
C7	N1	HH11	HH12	180.0°	179.0°
N1	C7	N2	HH21	59.5°	0.1°
N2	C7	N1	HH11	179.1°	178.8°
N2	C7	N1	HH12	0.9°	0.1°
C9	C8	N3	N4	179.4°	180.0°
C8	C9	C8'	H91	118.3°	124.7°
C8	C9	C8'	H92	120.0°	124.7°
C8	C9	H91	H92	118.9°	119.3°
C9	C8	N3	HN3	0.7°	0.0°
C8	C9	C8'	N3'	102.5°	90.1°
C8	C9	C8'	N4'	76.7°	90.0°
N3	C8	C9	C8'	65.1°	90.0°
N3	C8	C9	H91	53.2°	147.1°
N3	C8	C9	H92	174.9°	33.0°
N4	C8	C9	C8'	115.6°	90.0°
N4	C8	C9	H91	126.1°	32.9°
N4	C8	C9	H92	4.4°	147.0°
N4	C8	N3	HN3	179.9°	179.9°
C8'	C9	H91	H92	118.9°	114.1°
C9	C8'	N3'	C4'	178.6°	180.0°
C9	C8'	N4'	C5'	178.8°	179.9°
C9	C8'	N3'	N4'	179.2°	179.9°
C9	C8'	N3'	HN3'	1.4°	0.1°
H91	C9	C8'	N3'	15.8°	145.3°
H91	C9	C8'	N4'	165.0°	34.7°
H92	C9	C8'	N3'	137.5°	34.6°
H92	C9	C8'	N4'	43.3°	145.3°
C2'	C1'	C6'	H1'	180.0°	180.0°
C1'	C2'	C3'	H2'	180.0°	179.9°
C1'	C2'	C3'	C4'	0.0°	0.1°
C1'	C2'	C3'	H3'	180.0°	180.0°
C2'	C1'	C6'	C5'	0.2°	0.0°
C2'	C1'	C6'	H6'	179.8°	180.0°
C6'	C1'	C2'	C3'	0.1°	0.0°
C6'	C1'	C2'	H2'	179.9°	180.0°
C1'	C6'	C5'	C4'	0.1°	0.1°
C1'	C6'	C5'	H6'	180.0°	180.0°
C1'	C6'	C5'	N4'	179.4°	180.0°
H1'	C1'	C2'	C3'	179.9°	180.0°
H1'	C1'	C2'	H2'	0.1°	0.0°
H1'	C1'	C6'	C5'	179.8°	180.0°
H1'	C1'	C6'	H6'	0.2°	0.0°
C2'	C3'	C4'	H3'	180.0°	180.0°
C2'	C3'	C4'	C5'	0.1°	0.0°
C2'	C3'	C4'	N3'	179.9°	180.0°
H2'	C2'	C3'	C4'	180.0°	180.0°
H2'	C2'	C3'	H3'	0.0°	0.0°
C3'	C4'	C5'	N3'	179.9°	180.0°
C3'	C4'	C5'	C6'	0.0°	0.0°
C3'	C4'	C5'	N4'	179.6°	180.0°
C3'	C4'	N3'	C8'	179.4°	180.0°
C3'	C4'	N3'	HN3'	0.6°	0.0°
H3'	C3'	C4'	C5'	179.9°	180.0°
H3'	C3'	C4'	N3'	0.2°	0.0°
C4'	C5'	C6'	N4'	179.5°	179.9°
C4'	C5'	C6'	H6'	179.8°	180.0°
C5'	C4'	N3'	C8'	0.6°	0.0°
C4'	C5'	N4'	C8'	0.0°	0.0°
C5'	C4'	N3'	HN3'	179.5°	180.0°
N3'	C4'	C5'	C6'	180.0°	180.0°
N3'	C4'	C5'	N4'	0.4°	0.0°
C4'	N3'	C8'	HN3'	180.0°	180.0°
C4'	N3'	C8'	N4'	0.6°	0.0°
C6'	C5'	N4'	C8'	179.6°	179.9°
N4'	C5'	C6'	H6'	0.6°	0.1°
C5'	N4'	C8'	N3'	0.4°	0.0°
N4'	C8'	N3'	HN3'	179.4°	180.0°

Definition date:	1999-08-02
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB