6I4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	sing	1.53Å	1.50Å
C9	C8	sing	1.53Å	1.51Å
C10	C8	sing	1.53Å	1.51Å
C8	C4	sing	1.51Å	1.50Å
N16	C11	doub	1.33Å	1.34Å	Aromatic
N16	C15	sing	1.32Å	1.35Å	Aromatic
N7	C11	sing	1.38Å	1.36Å	Aromatic
N7	C5	sing	1.38Å	1.38Å	Aromatic
C17	C15	sing	1.51Å	1.50Å
C11	C12	sing	1.40Å	1.39Å	Aromatic
C4	C5	doub	1.39Å	1.41Å	Aromatic
C4	C1	sing	1.38Å	1.41Å	Aromatic
C15	C14	doub	1.38Å	1.40Å	Aromatic
C5	C6	sing	1.40Å	1.40Å	Aromatic
C1	C2	doub	1.39Å	1.39Å	Aromatic
C12	C6	sing	1.47Å	1.43Å	Aromatic
C12	C13	doub	1.39Å	1.40Å	Aromatic
C14	C13	sing	1.39Å	1.40Å	Aromatic
C6	C3	doub	1.39Å	1.41Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
N7	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	60.2°	60.0°
C9	C10	C8	60.4°	60.0°
C10	C9	H5	119.9°	117.5°
C10	C9	H6	120.0°	117.5°
C9	C10	H7	119.9°	117.4°
C9	C10	H8	119.9°	117.5°
C9	C8	C10	59.3°	60.1°
C9	C8	C4	121.8°	117.5°
C9	C8	H4	114.6°	117.5°
C8	C9	H5	119.9°	117.5°
C8	C9	H6	120.0°	117.6°
C10	C8	C4	120.6°	117.5°
C10	C8	H4	114.6°	117.5°
C8	C10	H7	119.9°	117.5°
C8	C10	H8	120.0°	117.5°
C8	C4	C5	118.8°	120.0°
C8	C4	C1	125.6°	119.9°
C4	C8	H4	114.8°	115.5°
C11	N16	C15	113.3°	121.8°
N16	C11	N7	123.8°	132.1°
N16	C11	C12	128.3°	119.7°
N16	C15	C17	116.1°	119.3°
N16	C15	C14	124.3°	121.5°
C11	N7	C5	111.3°	110.5°
N7	C11	C12	107.9°	108.3°
C11	N7	H14	124.4°	124.8°
N7	C5	C4	129.8°	132.4°
N7	C5	C6	106.2°	108.3°
C5	N7	H14	124.3°	124.7°
C17	C15	C14	119.6°	119.2°
C15	C17	H11	109.5°	109.5°
C15	C17	H12	109.5°	109.5°
C15	C17	H13	109.5°	109.5°
C11	C12	C6	106.7°	106.6°
C11	C12	C13	116.8°	119.6°
C5	C4	C1	115.6°	120.1°
C4	C5	C6	124.0°	119.3°
C4	C1	C2	121.9°	120.6°
C4	C1	H1	119.1°	119.8°
C15	C14	C13	119.8°	119.2°
C15	C14	H10	120.1°	120.4°
C5	C6	C12	107.9°	106.4°
C5	C6	C3	118.3°	120.0°
C1	C2	C3	121.1°	120.2°
C2	C1	H1	119.1°	119.7°
C1	C2	H2	119.5°	119.9°
C6	C12	C13	136.5°	133.8°
C12	C6	C3	133.8°	133.6°
C12	C13	C14	117.5°	118.2°
C12	C13	H9	121.3°	120.9°
C14	C13	H9	121.3°	120.8°
C13	C14	H10	120.1°	120.4°
C6	C3	C2	119.1°	119.8°
C6	C3	H3	120.4°	120.1°
C3	C2	H2	119.5°	119.9°
C2	C3	H3	120.4°	120.1°
H5	C9	H6	109.5°	115.5°
H7	C10	H8	109.4°	115.6°
H11	C17	H12	109.5°	109.5°
H11	C17	H13	109.4°	109.5°
H12	C17	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H5	109.5°	107.5°
C10	C9	C8	H6	109.6°	107.5°
C9	C10	C8	H7	109.6°	107.4°
C9	C10	C8	H8	109.6°	107.5°
C10	C9	C8	C4	109.3°	107.5°
C10	C9	C8	H4	105.2°	107.5°
C10	C9	H5	H6	144.6°	145.7°
C9	C10	H7	H8	144.5°	145.7°
C9	C8	C4	H4	145.5°	145.6°
C9	C8	C4	C5	176.4°	120.1°
C9	C8	C4	C1	3.9°	60.5°
C8	C9	H5	H6	144.6°	145.7°
C10	C8	C4	H4	143.8°	145.7°
C10	C8	C4	C5	112.9°	171.2°
C10	C8	C4	C1	66.8°	8.2°
C8	C10	H7	H8	144.5°	145.8°
C8	C4	C5	N7	0.2°	0.6°
C8	C4	C5	C1	179.7°	179.4°
C8	C4	C5	C6	179.8°	180.0°
C8	C4	C1	C2	179.9°	179.4°
C8	C4	C1	H1	0.1°	0.4°
C4	C8	C9	H5	141.2°	0.0°
C4	C8	C9	H6	0.3°	145.0°
C4	C8	C10	H7	1.5°	145.1°
C4	C8	C10	H8	139.3°	0.0°
N16	C11	N7	C12	179.8°	179.9°
N16	C11	N7	C5	179.9°	179.3°
C11	N16	C15	C17	179.9°	180.0°
C11	N16	C15	C14	0.2°	0.0°
N16	C11	C12	C6	179.8°	179.5°
N16	C11	C12	C13	0.1°	0.0°
N16	C11	N7	H14	0.1°	0.0°
C15	N16	C11	N7	179.9°	179.9°
N16	C15	C17	C14	179.9°	180.0°
C15	N16	C11	C12	0.3°	0.0°
N16	C15	C14	C13	0.1°	0.0°
N16	C15	C14	H10	179.9°	180.0°
N16	C15	C17	H11	0.0°	90.0°
N16	C15	C17	H12	120.0°	30.0°
N16	C15	C17	H13	120.0°	150.0°
C11	N7	C5	H14	180.0°	179.3°
C11	N7	C5	C4	179.9°	179.8°
C11	N7	C5	C6	0.1°	0.7°
N7	C11	C12	C6	0.0°	0.4°
N7	C11	C12	C13	180.0°	180.0°
C5	N7	C11	C12	0.1°	0.7°
N7	C5	C4	C6	180.0°	179.5°
N7	C5	C4	C1	179.9°	180.0°
N7	C5	C6	C12	0.1°	0.4°
N7	C5	C6	C3	180.0°	179.6°
C17	C15	C14	C13	180.0°	180.0°
C17	C15	C14	H10	0.0°	0.0°
C15	C17	H11	H12	120.0°	120.1°
C15	C17	H11	H13	120.0°	120.0°
C15	C17	H12	H13	120.0°	120.0°
C11	C12	C6	C5	0.1°	0.0°
C11	C12	C6	C13	179.9°	179.4°
C11	C12	C13	C14	0.1°	0.0°
C11	C12	C6	C3	180.0°	179.0°
C11	C12	C13	H9	179.9°	180.0°
C12	C11	N7	H14	179.9°	180.0°
C5	C4	C1	C2	0.2°	0.0°
C4	C5	C6	C12	179.9°	180.0°
C4	C5	C6	C3	0.0°	0.8°
C5	C4	C1	H1	179.8°	179.8°
C5	C4	C8	H4	30.8°	25.6°
C4	C5	N7	H14	0.1°	0.5°
C1	C4	C5	C6	0.1°	0.6°
C4	C1	C2	H1	180.0°	179.8°
C4	C1	C2	C3	0.2°	0.2°
C4	C1	C2	H2	179.8°	179.8°
C1	C4	C8	H4	149.5°	153.8°
C15	C14	C13	C12	0.1°	0.0°
C15	C14	C13	H10	180.0°	180.0°
C15	C14	C13	H9	179.9°	180.0°
C14	C15	C17	H11	179.9°	90.0°
C14	C15	C17	H12	60.1°	150.0°
C14	C15	C17	H13	59.9°	30.0°
C5	C6	C12	C3	179.9°	179.0°
C5	C6	C12	C13	180.0°	179.5°
C5	C6	C3	C2	0.0°	0.6°
C5	C6	C3	H3	180.0°	179.5°
C6	C5	N7	H14	179.8°	180.0°
C1	C2	C3	C6	0.1°	0.1°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	H3	179.9°	180.0°
C6	C12	C13	C14	180.0°	179.4°
C12	C6	C3	C2	179.9°	179.5°
C12	C6	C3	H3	0.1°	0.6°
C6	C12	C13	H9	0.0°	0.7°
C12	C13	C14	H9	180.0°	179.9°
C13	C12	C6	C3	0.1°	0.4°
C12	C13	C14	H10	179.9°	180.0°
C6	C3	C2	H3	180.0°	179.9°
C6	C3	C2	H2	179.9°	179.9°
C3	C2	C1	H1	179.8°	180.0°
H1	C1	C2	H2	0.2°	0.0°
H2	C2	C3	H3	0.1°	0.0°
H4	C8	C9	H5	4.4°	145.0°
H4	C8	C9	H6	145.3°	0.0°
H4	C8	C10	H7	145.4°	0.1°
H4	C8	C10	H8	4.5°	145.0°
H5	C9	C10	H7	140.9°	145.0°
H5	C9	C10	H8	0.1°	0.0°
H6	C9	C10	H7	0.1°	0.0°
H6	C9	C10	H8	140.8°	145.0°
H9	C13	C14	H10	0.1°	0.0°
H11	C17	H12	H13	120.0°	120.0°

Release date:	2022-02-16
Definition date:	2021-09-13
Last modified:	2022-02-11
Release status:	REL
Processing site:	PDBJ
Derived from:	7VBU