AP6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.49Å	Aromatic
N1	C10	sing	1.33Å	1.38Å	Aromatic
C2	N2	sing	1.39Å	1.33Å
C2	N3	sing	1.32Å	1.39Å	Aromatic
N2	HN21	sing	0.97Å	1.02Å
N2	HN22	sing	0.97Å	1.02Å
N3	C4	doub	1.33Å	1.42Å	Aromatic
C4	N4	sing	1.39Å	1.47Å
C4	C9	sing	1.40Å	1.43Å	Aromatic
N4	HN41	sing	0.97Å	1.02Å
N4	HN42	sing	0.97Å	1.02Å
C9	C10	doub	1.39Å	1.42Å	Aromatic
C9	N5	sing	1.40Å	1.41Å
C10	N8	sing	1.39Å	1.35Å
N5	C6	sing	1.46Å	1.42Å
N5	HN5	sing	1.01Å	1.02Å
C6	C7	sing	1.53Å	1.55Å
C6	C11	sing	1.51Å	1.53Å
C6	H6	sing	1.09Å	1.11Å
C7	N8	sing	1.47Å	1.48Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.12Å
N8	HN8	sing	0.97Å	1.02Å
C11	C12	doub	1.38Å	1.57Å	Aromatic
C11	C16	sing	1.38Å	1.40Å	Aromatic
C12	C13	sing	1.38Å	1.40Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C16	C15	doub	1.38Å	1.42Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C13	C14	doub	1.38Å	1.42Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C15	C14	sing	1.38Å	1.42Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C14	H14	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C10	122.0°	120.7°
N1	C2	N2	121.8°	119.2°
N1	C2	N3	115.3°	121.5°
N1	C10	C9	118.6°	119.7°
N1	C10	N8	119.2°	119.8°
N2	C2	N3	122.9°	119.2°
C2	N2	HN21	121.7°	120.1°
C2	N2	HN22	107.8°	120.0°
C2	N3	C4	126.0°	121.0°
HN21	N2	HN22	107.9°	119.9°
N3	C4	N4	122.5°	120.4°
N3	C4	C9	114.7°	119.2°
N4	C4	C9	122.7°	120.4°
C4	N4	HN41	122.6°	120.0°
C4	N4	HN42	107.6°	120.1°
C4	C9	C10	123.3°	117.8°
C4	C9	N5	115.6°	119.1°
HN41	N4	HN42	107.5°	120.0°
C10	C9	N5	121.1°	123.1°
C9	C10	N8	122.1°	120.5°
C9	N5	C6	113.0°	109.7°
C9	N5	HN5	110.9°	106.7°
C10	N8	C7	118.3°	117.1°
C10	N8	HN8	109.1°	121.5°
C6	N5	HN5	110.9°	106.7°
N5	C6	C7	113.0°	109.4°
N5	C6	C11	110.7°	109.5°
N5	C6	H6	106.4°	109.4°
C7	C6	C11	110.5°	109.5°
C7	C6	H6	106.7°	109.5°
C6	C7	N8	108.4°	106.8°
C6	C7	H71	112.6°	109.9°
C6	C7	H72	112.5°	110.0°
C11	C6	H6	109.2°	109.5°
C6	C11	C12	122.5°	120.0°
C6	C11	C16	119.6°	120.0°
N8	C7	H71	112.6°	110.0°
N8	C7	H72	112.6°	110.0°
C7	N8	HN8	109.0°	121.4°
H71	C7	H72	97.9°	110.0°
C12	C11	C16	117.9°	120.0°
C11	C12	C13	118.5°	120.0°
C11	C12	H12	126.3°	120.0°
C11	C16	C15	120.9°	120.0°
C11	C16	H16	118.7°	120.0°
C13	C12	H12	115.2°	120.0°
C12	C13	C14	120.4°	120.0°
C12	C13	H13	119.3°	120.0°
C15	C16	H16	120.3°	120.0°
C16	C15	C14	120.8°	120.0°
C16	C15	H15	119.6°	120.0°
C14	C13	H13	120.4°	120.0°
C13	C14	C15	121.6°	120.0°
C13	C14	H14	119.0°	120.0°
C14	C15	H15	119.7°	120.0°
C15	C14	H14	119.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N2	N3	179.9°	179.7°
N1	C2	N2	HN21	180.0°	179.8°
N1	C2	N2	HN22	54.7°	0.6°
N1	C2	N3	C4	0.5°	0.4°
C2	N1	C10	C9	0.8°	0.1°
C2	N1	C10	N8	180.0°	179.8°
C10	N1	C2	N2	179.4°	179.8°
C10	N1	C2	N3	0.8°	0.4°
N1	C10	C9	C4	0.7°	0.2°
N1	C10	C9	N8	179.1°	179.7°
N1	C10	C9	N5	179.6°	179.5°
N1	C10	N8	C7	170.2°	171.2°
N1	C10	N8	HN8	44.9°	8.8°
C2	N2	HN21	HN22	125.2°	179.6°
N2	C2	N3	C4	179.6°	179.9°
N3	C2	N2	HN21	0.1°	0.1°
N3	C2	N2	HN22	125.1°	179.7°
C2	N3	C4	N4	180.0°	179.9°
C2	N3	C4	C9	0.4°	0.1°
N3	C4	N4	C9	179.6°	180.0°
N3	C4	N4	HN41	180.0°	0.1°
N3	C4	N4	HN42	54.8°	179.9°
N3	C4	C9	C10	0.4°	0.2°
N3	C4	C9	N5	179.4°	179.5°
C4	N4	HN41	HN42	125.2°	180.0°
N4	C4	C9	C10	179.9°	179.8°
N4	C4	C9	N5	1.0°	0.5°
C9	C4	N4	HN41	0.4°	180.0°
C9	C4	N4	HN42	124.8°	0.1°
C4	C9	C10	N5	178.9°	179.7°
C4	C9	C10	N8	179.8°	179.5°
C4	C9	N5	C6	159.9°	154.7°
C4	C9	N5	HN5	34.7°	39.4°
C10	C9	N5	C6	21.1°	25.7°
C10	C9	N5	HN5	146.4°	141.0°
C9	C10	N8	C7	10.7°	9.1°
C9	C10	N8	HN8	135.9°	170.9°
N5	C9	C10	N8	1.3°	0.8°
C9	N5	C6	HN5	125.3°	115.3°
C9	N5	C6	C7	48.4°	56.9°
C9	N5	C6	C11	173.0°	177.0°
C9	N5	C6	H6	68.5°	63.0°
C10	N8	C7	C6	35.8°	39.2°
C10	N8	C7	HN8	125.3°	180.0°
C10	N8	C7	H71	89.4°	80.1°
C10	N8	C7	H72	161.1°	158.6°
N5	C6	C7	C11	124.7°	120.1°
N5	C6	C7	H6	116.7°	119.9°
N5	C6	C11	H6	116.9°	119.9°
N5	C6	C7	N8	55.7°	64.1°
N5	C6	C7	H71	69.6°	55.2°
N5	C6	C7	H72	179.1°	176.5°
N5	C6	C11	C12	127.2°	120.0°
N5	C6	C11	C16	53.6°	60.4°
HN5	N5	C6	C7	173.6°	172.2°
HN5	N5	C6	C11	61.8°	67.7°
HN5	N5	C6	H6	56.8°	52.3°
C7	C6	C11	H6	117.1°	120.0°
C6	C7	N8	H71	125.3°	119.3°
C6	C7	N8	H72	125.2°	119.4°
C6	C7	H71	H72	118.5°	121.3°
C6	C7	N8	HN8	161.1°	140.8°
C7	C6	C11	C12	1.2°	120.0°
C7	C6	C11	C16	179.6°	59.6°
C11	C6	C7	N8	179.6°	175.8°
C11	C6	C7	H71	55.1°	64.9°
C11	C6	C7	H72	54.3°	56.4°
C6	C11	C12	C16	179.2°	179.7°
C6	C11	C12	C13	178.9°	179.9°
C6	C11	C12	H12	1.0°	0.0°
C6	C11	C16	C15	179.1°	179.8°
C6	C11	C16	H16	0.9°	0.4°
H6	C6	C7	N8	61.0°	55.8°
H6	C6	C7	H71	173.7°	175.1°
H6	C6	C7	H72	64.3°	63.6°
H6	C6	C11	C12	115.9°	0.0°
H6	C6	C11	C16	63.3°	179.7°
N8	C7	H71	H72	118.6°	121.3°
H71	C7	N8	HN8	35.9°	99.9°
H72	C7	N8	HN8	73.7°	21.5°
C11	C12	C13	H12	180.0°	180.0°
C12	C11	C16	C15	0.2°	0.5°
C12	C11	C16	H16	179.8°	179.9°
C11	C12	C13	C14	0.1°	0.0°
C11	C12	C13	H13	179.9°	179.9°
C16	C11	C12	C13	0.3°	0.3°
C16	C11	C12	H12	179.8°	179.7°
C11	C16	C15	H16	180.0°	179.4°
C11	C16	C15	C14	0.1°	0.5°
C11	C16	C15	H15	179.9°	179.7°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.2°	0.1°
C12	C13	C14	H14	179.8°	179.9°
H12	C12	C13	C14	179.9°	180.0°
H12	C12	C13	H13	0.1°	0.1°
C16	C15	C14	C13	0.3°	0.2°
C16	C15	C14	H15	179.9°	179.8°
C16	C15	C14	H14	179.7°	179.9°
H16	C16	C15	C14	179.9°	179.9°
H16	C16	C15	H15	0.1°	0.3°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	H15	179.8°	180.0°
H13	C13	C14	C15	179.9°	180.0°
H13	C13	C14	H14	0.2°	0.0°
H15	C15	C14	H14	0.3°	0.0°

Definition date:	1999-12-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1DMK