BAB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.40Å	1.43Å	Aromatic
C1	C6	doub	1.40Å	1.43Å	Aromatic
C1	C7	sing	1.45Å	1.50Å
C2	C3	doub	1.40Å	1.39Å	Aromatic
C2	H2	sing	1.09Å	1.08Å
C3	C4	sing	1.41Å	1.44Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C4	C5	doub	1.39Å	1.43Å	Aromatic
C4	N3	sing	1.38Å	1.37Å	Aromatic
C5	C6	sing	1.40Å	1.42Å	Aromatic
C5	N4	sing	1.37Å	1.39Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C7	N1	doub	1.38Å	1.31Å
C7	N2	sing	1.38Å	1.38Å
C8	C9	sing	1.51Å	1.53Å
C8	N3	doub	1.29Å	1.31Å	Aromatic
C8	N4	sing	1.35Å	1.37Å	Aromatic
C9	C8'	sing	1.48Å	1.53Å
C9	H91	sing	1.10Å	1.10Å
C9	H92	sing	1.10Å	1.10Å
N2	HN21	sing	1.02Å	1.00Å
N2	HN22	sing	1.01Å	1.00Å
N4	HN4	sing	1.01Å	1.00Å
C1'	C2'	sing	1.41Å	1.44Å	Aromatic
C1'	C6'	doub	1.40Å	1.42Å	Aromatic
C1'	C7'	sing	1.45Å	1.50Å
C2'	C3'	doub	1.40Å	1.40Å	Aromatic
C2'	H2'	sing	1.09Å	1.08Å
C3'	C4'	sing	1.37Å	1.44Å	Aromatic
C3'	H3'	sing	1.08Å	1.08Å
C4'	C5'	doub	1.42Å	1.43Å	Aromatic
C4'	N3'	sing	1.40Å	1.36Å	Aromatic
C5'	C6'	sing	1.38Å	1.41Å	Aromatic
C5'	N4'	sing	1.40Å	1.39Å	Aromatic
C6'	H6'	sing	1.09Å	1.08Å
C7'	N1'	doub	1.38Å	1.31Å
C7'	N2'	sing	1.38Å	1.38Å
C8'	N3'	doub	1.39Å	1.31Å	Aromatic
C8'	N4'	sing	1.39Å	1.37Å	Aromatic
N2'	H2'1	sing	1.01Å	1.00Å
N2'	H2'2	sing	1.01Å	1.00Å
N4'	HN4'	sing	1.01Å	1.00Å
HN1	N1'	sing	1.01Å	1.00Å
HN3	N3'	sing	1.01Å	1.00Å
HN5	N1	sing	1.01Å	1.00Å
HN6	N1	sing	1.01Å	1.00Å
HN2	N1'	sing	1.02Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.5°	121.3°
C2	C1	C7	120.1°	119.5°
C1	C2	C3	120.5°	121.0°
C1	C2	H2	119.8°	120.2°
C6	C1	C7	120.3°	119.3°
C1	C6	C5	120.0°	116.8°
C1	C6	H6	120.0°	121.9°
C1	C7	N1	120.3°	123.3°
C1	C7	N2	120.4°	123.3°
C3	C2	H2	119.8°	118.8°
C2	C3	C4	120.5°	118.5°
C2	C3	H3	119.7°	120.5°
C4	C3	H3	119.7°	121.0°
C3	C4	C5	119.5°	119.2°
C3	C4	N3	134.0°	130.0°
C5	C4	N3	106.5°	110.8°
C4	C5	C6	120.0°	123.3°
C4	C5	N4	105.8°	104.4°
C4	N3	C8	109.9°	103.8°
C6	C5	N4	134.2°	132.3°
C5	C6	H6	120.0°	121.4°
C5	N4	C8	108.0°	106.5°
C5	N4	HN4	126.0°	126.0°
N1	C7	N2	119.3°	113.4°
C7	N1	HN5	108.9°	121.9°
C7	N1	HN6	125.6°	121.7°
C7	N2	HN21	125.6°	121.7°
C7	N2	HN22	108.8°	121.9°
C9	C8	N3	126.9°	125.5°
C9	C8	N4	123.4°	120.0°
C8	C9	C8'	115.2°	113.1°
C8	C9	H91	106.3°	108.9°
C8	C9	H92	107.6°	109.6°
N3	C8	N4	109.8°	114.5°
C8	N4	HN4	126.0°	127.5°
C8'	C9	H91	106.3°	109.9°
C8'	C9	H92	107.6°	109.7°
C9	C8'	N3'	123.6°	125.5°
C9	C8'	N4'	126.6°	125.3°
H91	C9	H92	114.1°	105.4°
HN21	N2	HN22	125.6°	116.4°
C2'	C1'	C6'	119.4°	121.2°
C2'	C1'	C7'	120.4°	119.3°
C1'	C2'	C3'	120.4°	121.2°
C1'	C2'	H2'	119.8°	119.9°
C6'	C1'	C7'	120.2°	119.5°
C1'	C6'	C5'	120.6°	117.2°
C1'	C6'	H6'	119.7°	121.6°
C1'	C7'	N1'	120.4°	123.3°
C1'	C7'	N2'	120.3°	123.3°
C3'	C2'	H2'	119.8°	118.9°
C2'	C3'	C4'	120.1°	117.1°
C2'	C3'	H3'	119.9°	121.0°
C4'	C3'	H3'	119.9°	121.9°
C3'	C4'	C5'	119.8°	121.7°
C3'	C4'	N3'	134.0°	130.7°
C5'	C4'	N3'	106.2°	107.6°
C4'	C5'	C6'	119.6°	121.6°
C4'	C5'	N4'	106.0°	107.7°
C4'	N3'	C8'	110.6°	107.8°
C4'	N3'	HN3	124.7°	124.6°
C6'	C5'	N4'	134.4°	130.7°
C5'	C6'	H6'	119.7°	121.2°
C5'	N4'	C8'	107.3°	107.8°
C5'	N4'	HN4'	126.3°	124.6°
N1'	C7'	N2'	119.3°	113.4°
C7'	N1'	HN1	108.8°	121.9°
C7'	N1'	HN2	125.6°	121.7°
C7'	N2'	H2'1	125.6°	121.7°
C7'	N2'	H2'2	108.9°	121.9°
N3'	C8'	N4'	109.8°	109.2°
C8'	N3'	HN3	124.7°	127.6°
C8'	N4'	HN4'	126.4°	127.6°
H2'1	N2'	H2'2	125.5°	116.4°
HN1	N1'	HN2	125.6°	116.4°
HN5	N1	HN6	125.5°	116.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	180.0°	179.9°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	H3	179.7°	180.0°
C2	C1	C6	C5	0.3°	0.0°
C2	C1	C6	H6	179.7°	180.0°
C2	C1	C7	N1	179.9°	30.0°
C2	C1	C7	N2	0.0°	150.0°
C6	C1	C2	C3	0.3°	0.0°
C6	C1	C2	H2	179.8°	180.0°
C1	C6	C5	C4	0.4°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	N4	179.9°	180.0°
C6	C1	C7	N1	0.1°	149.9°
C6	C1	C7	N2	180.0°	30.1°
C7	C1	C2	C3	179.8°	179.9°
C7	C1	C2	H2	0.2°	0.0°
C7	C1	C6	C5	179.7°	179.9°
C7	C1	C6	H6	0.3°	0.1°
C1	C7	N1	N2	179.9°	180.0°
C1	C7	N2	HN21	179.9°	179.7°
C1	C7	N2	HN22	0.1°	2.4°
C1	C7	N1	HN5	180.0°	180.0°
C1	C7	N1	HN6	0.0°	1.9°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C2	C3	C4	N3	179.6°	180.0°
H2	C2	C3	C4	179.8°	180.0°
H2	C2	C3	H3	0.3°	0.0°
C3	C4	C5	N3	179.5°	179.9°
C3	C4	C5	C6	0.3°	0.0°
C3	C4	C5	N4	180.0°	180.0°
C3	C4	N3	C8	179.8°	180.0°
H3	C3	C4	C5	179.7°	180.0°
H3	C3	C4	N3	0.3°	0.0°
C4	C5	C6	N4	179.6°	180.0°
C4	C5	C6	H6	179.6°	180.0°
C5	C4	N3	C8	0.4°	0.0°
C4	C5	N4	C8	0.4°	0.0°
C4	C5	N4	HN4	179.6°	179.9°
N3	C4	C5	C6	179.9°	180.0°
N3	C4	C5	N4	0.5°	0.0°
C4	N3	C8	C9	179.9°	179.9°
C4	N3	C8	N4	0.1°	0.0°
C6	C5	N4	C8	180.0°	180.0°
C6	C5	N4	HN4	0.0°	0.1°
N4	C5	C6	H6	0.1°	0.0°
C5	N4	C8	C9	179.6°	179.9°
C5	N4	C8	N3	0.2°	0.0°
C5	N4	C8	HN4	180.0°	179.9°
N1	C7	N2	HN21	0.1°	0.3°
N1	C7	N2	HN22	180.0°	177.6°
C7	N1	HN5	HN6	180.0°	178.2°
C7	N2	HN21	HN22	180.0°	178.1°
N2	C7	N1	HN5	0.1°	0.0°
N2	C7	N1	HN6	179.9°	178.1°
C9	C8	N3	N4	179.7°	179.9°
C8	C9	C8'	H91	117.4°	121.9°
C8	C9	C8'	H92	120.0°	122.6°
C8	C9	H91	H92	118.4°	117.5°
C9	C8	N4	HN4	0.4°	0.0°
C8	C9	C8'	N3'	179.4°	88.0°
C8	C9	C8'	N4'	0.4°	90.0°
N3	C8	C9	C8'	0.3°	90.0°
N3	C8	C9	H91	117.1°	32.5°
N3	C8	C9	H92	120.3°	147.3°
N3	C8	N4	HN4	179.8°	180.0°
N4	C8	C9	C8'	179.4°	90.1°
N4	C8	C9	H91	63.2°	147.4°
N4	C8	C9	H92	59.4°	32.7°
C8'	C9	H91	H92	118.4°	118.2°
C9	C8'	N3'	C4'	179.8°	178.4°
C9	C8'	N4'	C5'	179.8°	178.4°
C9	C8'	N3'	N4'	179.8°	178.3°
C9	C8'	N4'	HN4'	0.2°	1.0°
C9	C8'	N3'	HN3	0.2°	0.9°
H91	C9	C8'	N3'	63.2°	150.1°
H91	C9	C8'	N4'	117.0°	31.9°
H92	C9	C8'	N3'	59.4°	34.6°
H92	C9	C8'	N4'	120.4°	147.3°
C2'	C1'	C6'	C7'	179.8°	180.0°
C1'	C2'	C3'	H2'	180.0°	180.0°
C1'	C2'	C3'	C4'	0.1°	0.0°
C1'	C2'	C3'	H3'	179.9°	180.0°
C2'	C1'	C6'	C5'	0.1°	0.0°
C2'	C1'	C6'	H6'	179.9°	180.0°
C2'	C1'	C7'	N1'	179.9°	30.0°
C2'	C1'	C7'	N2'	0.2°	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°	180.0°
C1'	C6'	C5'	N4'	180.0°	180.0°
C6'	C1'	C7'	N1'	0.1°	150.1°
C6'	C1'	C7'	N2'	180.0°	29.9°
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°	0.0°
C1'	C7'	N1'	N2'	179.9°	180.0°
C1'	C7'	N2'	H2'1	179.9°	179.7°
C1'	C7'	N2'	H2'2	0.1°	2.4°
C1'	C7'	N1'	HN1	180.0°	180.0°
C1'	C7'	N1'	HN2	0.0°	2.0°
C2'	C3'	C4'	H3'	180.0°	180.0°
C2'	C3'	C4'	C5'	0.1°	0.0°
C2'	C3'	C4'	N3'	180.0°	179.9°
H2'	C2'	C3'	C4'	179.9°	180.0°
H2'	C2'	C3'	H3'	0.1°	0.0°
C3'	C4'	C5'	N3'	179.9°	179.9°
C3'	C4'	C5'	C6'	0.1°	0.0°
C3'	C4'	C5'	N4'	180.0°	180.0°
C3'	C4'	N3'	C8'	180.0°	179.9°
C3'	C4'	N3'	HN3	0.0°	0.7°
H3'	C3'	C4'	C5'	179.9°	180.0°
H3'	C3'	C4'	N3'	0.0°	0.0°
C4'	C5'	C6'	N4'	179.9°	180.0°
C4'	C5'	C6'	H6'	179.9°	180.0°
C5'	C4'	N3'	C8'	0.0°	0.0°
C4'	C5'	N4'	C8'	0.0°	0.1°
C4'	C5'	N4'	HN4'	180.0°	179.4°
C5'	C4'	N3'	HN3	180.0°	179.4°
N3'	C4'	C5'	C6'	180.0°	180.0°
N3'	C4'	C5'	N4'	0.0°	0.0°
C4'	N3'	C8'	HN3	180.0°	179.3°
C4'	N3'	C8'	N4'	0.0°	0.1°
C6'	C5'	N4'	C8'	179.9°	179.9°
C6'	C5'	N4'	HN4'	0.1°	0.6°
N4'	C5'	C6'	H6'	0.0°	0.0°
C5'	N4'	C8'	N3'	0.0°	0.1°
C5'	N4'	C8'	HN4'	180.0°	179.4°
N1'	C7'	N2'	H2'1	0.0°	0.3°
N1'	C7'	N2'	H2'2	180.0°	177.6°
C7'	N1'	HN1	HN2	180.0°	178.1°
C7'	N2'	H2'1	H2'2	180.0°	178.0°
N2'	C7'	N1'	HN1	0.1°	0.0°
N2'	C7'	N1'	HN2	179.9°	178.1°
N3'	C8'	N4'	HN4'	180.0°	179.3°
N4'	C8'	N3'	HN3	180.0°	179.3°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB