6IP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.42Å	1.31Å
N1	HN11	sing	1.00Å	1.00Å
N1	HN12	sing	1.00Å	1.00Å
C2	N18	doub	1.35Å	1.37Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.39Å	1.38Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C4	C5	sing	1.39Å	1.38Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	N18	sing	1.34Å	1.37Å	Aromatic
C6	C7	sing	1.51Å	1.51Å
C7	C8	sing	1.54Å	1.52Å
C7	H71	sing	1.10Å	1.10Å
C7	H72	sing	1.10Å	1.10Å
C8	C9	sing	1.49Å	1.51Å
C8	H81	sing	1.10Å	1.10Å
C8	H82	sing	1.10Å	1.10Å
C9	C17	sing	1.40Å	1.39Å	Aromatic
C9	C10	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.40Å	1.38Å	Aromatic
C10	H10	sing	1.09Å	1.08Å
C11	C12	doub	1.41Å	1.39Å	Aromatic
C11	H11	sing	1.09Å	1.08Å
C12	C16	sing	1.40Å	1.40Å	Aromatic
C12	C13	sing	1.42Å	1.41Å	Aromatic
C13	C14	doub	1.38Å	1.40Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	N15	sing	1.37Å	1.35Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
N15	C16	sing	1.38Å	1.38Å	Aromatic
N15	HN15	sing	1.01Å	1.00Å
C16	C17	doub	1.40Å	1.39Å	Aromatic
C17	H17	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	HN11	109.5°	118.8°
C2	N1	HN12	109.4°	118.9°
N1	C2	N18	119.4°	118.7°
N1	C2	C3	121.1°	117.2°
HN11	N1	HN12	109.4°	122.0°
N18	C2	C3	119.5°	124.1°
C2	N18	C6	121.3°	115.7°
C2	C3	C4	120.0°	117.9°
C2	C3	H3	120.1°	121.9°
C4	C3	H3	120.0°	120.2°
C3	C4	C5	119.8°	119.8°
C3	C4	H4	120.1°	120.1°
C5	C4	H4	120.1°	120.1°
C4	C5	C6	120.0°	117.3°
C4	C5	H5	120.0°	120.5°
C6	C5	H5	120.0°	122.2°
C5	C6	N18	119.4°	125.3°
C5	C6	C7	121.3°	118.7°
N18	C6	C7	119.3°	116.0°
C6	C7	C8	112.5°	113.2°
C6	C7	H71	108.5°	108.3°
C6	C7	H72	107.8°	109.8°
C8	C7	H71	108.5°	109.5°
C8	C7	H72	107.8°	110.1°
C7	C8	C9	113.6°	114.0°
C7	C8	H81	108.1°	108.3°
C7	C8	H82	107.2°	109.6°
H71	C7	H72	111.9°	105.6°
C9	C8	H81	108.1°	109.1°
C9	C8	H82	107.2°	110.6°
C8	C9	C17	120.0°	119.3°
C8	C9	C10	120.1°	119.6°
H81	C8	H82	112.7°	104.8°
C17	C9	C10	119.8°	121.1°
C9	C17	C16	119.1°	117.5°
C9	C17	H17	120.5°	121.5°
C9	C10	C11	121.1°	120.7°
C9	C10	H10	119.4°	120.2°
C11	C10	H10	119.4°	119.1°
C10	C11	C12	119.2°	119.2°
C10	C11	H11	120.4°	120.0°
C12	C11	H11	120.4°	120.8°
C11	C12	C16	120.0°	118.8°
C11	C12	C13	133.9°	134.1°
C16	C12	C13	106.1°	107.1°
C12	C16	N15	108.6°	107.1°
C12	C16	C17	120.8°	122.6°
C12	C13	C14	107.7°	107.7°
C12	C13	H13	126.1°	126.9°
C14	C13	H13	126.1°	125.4°
C13	C14	N15	108.4°	107.9°
C13	C14	H14	125.8°	131.5°
N15	C14	H14	125.8°	120.6°
C14	N15	C16	109.2°	110.2°
C14	N15	HN15	125.4°	124.9°
C16	N15	HN15	125.4°	124.9°
N15	C16	C17	130.7°	130.2°
C16	C17	H17	120.5°	121.0°

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	N18	C3	177.9°	179.9°
N1	C2	C3	C4	179.9°	179.9°
N1	C2	C3	H3	0.1°	0.1°
N1	C2	N18	C6	180.0°	179.9°
HN11	N1	C2	N18	115.6°	101.1°
HN11	N1	C2	C3	62.2°	78.9°
HN12	N1	C2	N18	4.3°	72.6°
HN12	N1	C2	C3	177.9°	107.3°
N18	C2	C3	C4	2.1°	0.0°
N18	C2	C3	H3	177.9°	180.0°
C2	N18	C6	C5	1.0°	0.0°
C2	N18	C6	C7	178.4°	180.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	1.0°	0.0°
C2	C3	C4	H4	179.0°	180.0°
C3	C2	N18	C6	2.1°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.0°	0.0°
C3	C4	C5	H5	180.0°	180.0°
H3	C3	C4	C5	179.0°	180.0°
H3	C3	C4	H4	1.0°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	N18	0.1°	0.0°
C4	C5	C6	C7	179.4°	180.0°
H4	C4	C5	C6	180.0°	180.0°
H4	C4	C5	H5	0.0°	0.0°
C5	C6	N18	C7	179.4°	180.0°
C5	C6	C7	C8	125.1°	90.0°
C5	C6	C7	H71	5.1°	148.4°
C5	C6	C7	H72	116.2°	33.5°
H5	C5	C6	N18	180.0°	180.0°
H5	C5	C6	C7	0.6°	0.0°
N18	C6	C7	C8	54.3°	90.0°
N18	C6	C7	H71	174.3°	31.7°
N18	C6	C7	H72	64.4°	146.5°
C6	C7	C8	H71	120.0°	120.9°
C6	C7	C8	H72	118.7°	123.4°
C6	C7	H71	H72	118.8°	117.6°
C6	C7	C8	C9	65.7°	60.9°
C6	C7	C8	H81	174.2°	60.7°
C6	C7	C8	H82	52.5°	174.5°
C8	C7	H71	H72	118.7°	118.5°
C7	C8	C9	H81	120.0°	121.1°
C7	C8	C9	H82	118.2°	124.1°
C7	C8	H81	H82	118.3°	117.0°
C7	C8	C9	C17	117.5°	90.0°
C7	C8	C9	C10	64.6°	90.1°
H71	C7	C8	C9	54.2°	60.0°
H71	C7	C8	H81	65.8°	178.4°
H71	C7	C8	H82	172.5°	64.6°
H72	C7	C8	C9	175.6°	175.7°
H72	C7	C8	H81	55.5°	62.7°
H72	C7	C8	H82	66.2°	51.1°
C9	C8	H81	H82	118.3°	118.5°
C8	C9	C17	C10	177.9°	179.9°
C8	C9	C10	C11	179.0°	179.9°
C8	C9	C10	H10	1.0°	0.2°
C8	C9	C17	C16	178.7°	180.0°
C8	C9	C17	H17	1.3°	0.0°
H81	C8	C9	C17	122.5°	31.1°
H81	C8	C9	C10	55.4°	148.8°
H82	C8	C9	C17	0.7°	145.9°
H82	C8	C9	C10	177.2°	34.0°
C17	C9	C10	C11	1.1°	0.0°
C17	C9	C10	H10	178.9°	179.9°
C9	C17	C16	C12	0.2°	0.0°
C9	C17	C16	N15	179.7°	180.0°
C9	C17	C16	H17	180.0°	180.0°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.8°	0.0°
C9	C10	C11	H11	179.2°	179.9°
C10	C9	C17	C16	0.8°	0.1°
C10	C9	C17	H17	179.2°	179.9°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C16	0.2°	0.0°
C10	C11	C12	C13	179.8°	180.0°
H10	C10	C11	C12	179.2°	179.9°
H10	C10	C11	H11	0.8°	0.0°
C11	C12	C16	C13	179.9°	180.0°
C11	C12	C13	C14	179.8°	179.9°
C11	C12	C13	H13	0.3°	0.0°
C11	C12	C16	N15	179.5°	179.9°
C11	C12	C16	C17	0.1°	0.0°
H11	C11	C12	C16	179.9°	179.9°
H11	C11	C12	C13	0.2°	0.1°
C16	C12	C13	C14	0.2°	0.0°
C16	C12	C13	H13	179.8°	179.9°
C12	C16	N15	C14	0.6°	0.0°
C12	C16	N15	C17	179.5°	180.0°
C12	C16	N15	HN15	179.4°	179.9°
C12	C16	C17	H17	179.8°	179.9°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	N15	0.2°	0.0°
C12	C13	C14	H14	179.8°	180.0°
C13	C12	C16	N15	0.5°	0.0°
C13	C12	C16	C17	179.9°	180.0°
C13	C14	N15	H14	180.0°	180.0°
C13	C14	N15	C16	0.5°	0.0°
C13	C14	N15	HN15	179.5°	179.9°
H13	C13	C14	N15	179.9°	179.9°
H13	C13	C14	H14	0.2°	0.1°
C14	N15	C16	HN15	180.0°	179.9°
C14	N15	C16	C17	179.9°	180.0°
H14	C14	N15	C16	179.5°	180.0°
H14	C14	N15	HN15	0.5°	0.0°
N15	C16	C17	H17	0.3°	0.0°
HN15	N15	C16	C17	0.1°	0.1°

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