8IP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.42Å	1.35Å
N1	HN11	sing	1.00Å	1.00Å
N1	HN12	sing	1.00Å	1.00Å
C2	N3	doub	1.35Å	1.35Å	Aromatic
C2	C7	sing	1.40Å	1.42Å	Aromatic
N3	C4	sing	1.35Å	1.34Å	Aromatic
C4	C5	doub	1.39Å	1.38Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C5	C6	sing	1.39Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	doub	1.40Å	1.39Å	Aromatic
C6	H6	sing	1.09Å	1.08Å
C7	N8	sing	1.39Å	1.40Å
N8	C9	sing	1.44Å	1.45Å
N8	HN8	sing	1.02Å	1.00Å
C9	C10	sing	1.49Å	1.51Å
C9	H91	sing	1.10Å	1.10Å
C9	H92	sing	1.10Å	1.10Å
C10	C15	sing	1.39Å	1.39Å	Aromatic
C10	C11	doub	1.40Å	1.38Å	Aromatic
C11	C12	sing	1.39Å	1.38Å	Aromatic
C11	H11	sing	1.09Å	1.08Å
C12	C13	doub	1.39Å	1.38Å	Aromatic
C12	H12	sing	1.09Å	1.08Å
C13	C14	sing	1.39Å	1.39Å	Aromatic
C13	H13	sing	1.09Å	1.08Å
C14	C16	sing	1.45Å	1.49Å	Aromatic
C14	C15	doub	1.39Å	1.39Å	Aromatic
C15	H15	sing	1.09Å	1.08Å
C16	C21	doub	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.39Å	1.39Å	Aromatic
C17	C18	doub	1.39Å	1.38Å	Aromatic
C17	H17	sing	1.09Å	1.08Å
C18	C19	sing	1.39Å	1.38Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C19	N20	doub	1.35Å	1.34Å	Aromatic
C19	H19	sing	1.09Å	1.08Å
N20	C21	sing	1.35Å	1.34Å	Aromatic
C21	H21	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	HN11	109.5°	118.9°
C2	N1	HN12	109.5°	118.8°
N1	C2	N3	117.2°	117.6°
N1	C2	C7	120.5°	117.6°
HN11	N1	HN12	109.4°	122.1°
N3	C2	C7	122.2°	124.8°
C2	N3	C4	117.7°	116.3°
C2	C7	C6	117.9°	116.5°
C2	C7	N8	119.1°	123.0°
N3	C4	C5	123.4°	124.1°
N3	C4	H4	118.3°	115.2°
C5	C4	H4	118.3°	120.8°
C4	C5	C6	119.4°	117.9°
C4	C5	H5	120.3°	121.0°
C6	C5	H5	120.3°	121.1°
C5	C6	C7	119.3°	120.5°
C5	C6	H6	120.3°	119.5°
C7	C6	H6	120.3°	120.0°
C6	C7	N8	123.0°	120.5°
C7	N8	C9	124.6°	123.8°
C7	N8	HN8	104.7°	118.0°
C9	N8	HN8	104.7°	118.2°
N8	C9	C10	114.6°	112.4°
N8	C9	H91	107.8°	107.5°
N8	C9	H92	106.6°	107.3°
C10	C9	H91	107.8°	111.2°
C10	C9	H92	106.6°	111.5°
C9	C10	C15	121.4°	120.1°
C9	C10	C11	119.8°	119.9°
H91	C9	H92	113.6°	106.7°
C15	C10	C11	118.8°	120.0°
C10	C15	C14	121.1°	120.0°
C10	C15	H15	119.4°	119.6°
C10	C11	C12	120.6°	120.0°
C10	C11	H11	119.7°	120.5°
C12	C11	H11	119.7°	119.5°
C11	C12	C13	120.4°	120.0°
C11	C12	H12	119.8°	120.0°
C13	C12	H12	119.8°	120.0°
C12	C13	C14	120.5°	120.0°
C12	C13	H13	119.7°	119.1°
C14	C13	H13	119.8°	120.8°
C13	C14	C16	120.5°	120.0°
C13	C14	C15	118.6°	120.0°
C16	C14	C15	120.9°	120.0°
C14	C16	C21	121.8°	121.0°
C14	C16	C17	121.1°	120.9°
C14	C15	H15	119.4°	120.3°
C21	C16	C17	117.1°	118.1°
C16	C21	N20	124.1°	124.0°
C16	C21	H21	118.0°	121.5°
C16	C17	C18	119.5°	119.6°
C16	C17	H17	120.3°	121.0°
C18	C17	H17	120.3°	119.3°
C17	C18	C19	119.2°	117.9°
C17	C18	H18	120.4°	121.0°
C19	C18	H18	120.4°	121.1°
C18	C19	N20	123.1°	124.1°
C18	C19	H19	118.4°	120.8°
N20	C19	H19	118.5°	115.2°
C19	N20	C21	117.1°	116.3°
N20	C21	H21	118.0°	114.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	HN11	HN12	120.0°	173.5°
N1	C2	N3	C7	177.7°	180.0°
N1	C2	N3	C4	178.8°	180.0°
N1	C2	C7	C6	178.9°	180.0°
N1	C2	C7	N8	0.7°	0.1°
HN11	N1	C2	N3	141.0°	57.0°
HN11	N1	C2	C7	36.7°	122.9°
HN12	N1	C2	N3	99.0°	116.6°
HN12	N1	C2	C7	83.3°	63.4°
C2	N3	C4	C5	0.5°	0.1°
C2	N3	C4	H4	179.5°	180.0°
N3	C2	C7	C6	1.3°	0.0°
N3	C2	C7	N8	178.3°	179.9°
C7	C2	N3	C4	1.1°	0.0°
C2	C7	C6	C5	0.9°	0.1°
C2	C7	C6	N8	179.7°	179.9°
C2	C7	C6	H6	179.1°	180.0°
C2	C7	N8	C9	179.3°	179.9°
C2	C7	N8	HN8	60.7°	0.1°
N3	C4	C5	H4	180.0°	179.9°
N3	C4	C5	C6	0.2°	0.1°
N3	C4	C5	H5	179.8°	180.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.4°	0.1°
C4	C5	C6	H6	179.6°	179.9°
H4	C4	C5	C6	179.8°	180.0°
H4	C4	C5	H5	0.2°	0.1°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	N8	178.7°	179.8°
H5	C5	C6	C7	179.6°	180.0°
H5	C5	C6	H6	0.4°	0.0°
C6	C7	N8	C9	0.3°	0.1°
C6	C7	N8	HN8	119.6°	179.9°
H6	C6	C7	N8	1.3°	0.1°
C7	N8	C9	HN8	120.0°	180.0°
C7	N8	C9	C10	71.6°	177.5°
C7	N8	C9	H91	168.4°	59.9°
C7	N8	C9	H92	46.2°	54.6°
N8	C9	C10	H91	120.0°	120.5°
N8	C9	C10	H92	117.7°	120.5°
N8	C9	H91	H92	117.9°	114.9°
N8	C9	C10	C15	8.8°	89.9°
N8	C9	C10	C11	170.8°	90.0°
HN8	N8	C9	C10	48.4°	2.5°
HN8	N8	C9	H91	71.6°	120.1°
HN8	N8	C9	H92	166.1°	125.4°
C10	C9	H91	H92	117.9°	121.7°
C9	C10	C15	C11	179.6°	179.9°
C9	C10	C11	C12	179.5°	180.0°
C9	C10	C11	H11	0.5°	0.1°
C9	C10	C15	C14	179.8°	180.0°
C9	C10	C15	H15	0.1°	0.0°
H91	C9	C10	C15	111.2°	149.5°
H91	C9	C10	C11	69.2°	30.5°
H92	C9	C10	C15	126.5°	30.6°
H92	C9	C10	C11	53.1°	149.5°
C15	C10	C11	C12	0.9°	0.0°
C15	C10	C11	H11	179.1°	179.9°
C10	C15	C14	C13	0.3°	0.0°
C10	C15	C14	C16	178.2°	180.0°
C10	C15	C14	H15	180.0°	180.0°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	1.1°	0.0°
C10	C11	C12	H12	179.0°	179.9°
C11	C10	C15	C14	0.6°	0.0°
C11	C10	C15	H15	179.5°	180.0°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	0.8°	0.0°
C11	C12	C13	H13	179.2°	180.0°
H11	C11	C12	C13	179.0°	179.9°
H11	C11	C12	H12	1.0°	0.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C16	178.4°	180.0°
C12	C13	C14	C15	0.5°	0.0°
H12	C12	C13	C14	179.2°	179.9°
H12	C12	C13	H13	0.8°	0.0°
C13	C14	C16	C15	177.8°	180.0°
C13	C14	C15	H15	179.7°	180.0°
C13	C14	C16	C21	147.7°	30.0°
C13	C14	C16	C17	35.2°	150.0°
H13	C13	C14	C16	1.6°	0.0°
H13	C13	C14	C15	179.5°	180.0°
C16	C14	C15	H15	1.8°	0.0°
C14	C16	C21	C17	177.2°	180.0°
C14	C16	C17	C18	179.0°	180.0°
C14	C16	C17	H17	1.0°	0.1°
C14	C16	C21	N20	179.3°	180.0°
C14	C16	C21	H21	0.7°	0.0°
C15	C14	C16	C21	34.5°	150.0°
C15	C14	C16	C17	142.6°	30.0°
C21	C16	C17	C18	1.8°	0.0°
C21	C16	C17	H17	178.2°	179.9°
C16	C21	N20	C19	2.0°	0.0°
C16	C21	N20	H21	180.0°	180.0°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C19	1.6°	0.0°
C16	C17	C18	H18	178.4°	179.9°
C17	C16	C21	N20	2.1°	0.0°
C17	C16	C21	H21	177.9°	180.0°
C17	C18	C19	H18	180.0°	179.9°
C17	C18	C19	N20	1.5°	0.0°
C17	C18	C19	H19	178.5°	179.9°
H17	C17	C18	C19	178.5°	179.9°
H17	C17	C18	H18	1.6°	0.1°
C18	C19	N20	H19	180.0°	179.9°
C18	C19	N20	C21	1.7°	0.0°
H18	C18	C19	N20	178.5°	180.0°
H18	C18	C19	H19	1.5°	0.1°
C19	N20	C21	H21	178.0°	180.0°
H19	C19	N20	C21	178.4°	179.9°

Definition date:	2007-01-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB