1K8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C13	doub	1.36Å	1.40Å	Aromatic
C7	C6	sing	1.39Å	1.40Å	Aromatic
C13	C12	sing	1.41Å	1.39Å	Aromatic
C6	C3	doub	1.36Å	1.40Å	Aromatic
C12	N13	doub	1.34Å	1.35Å	Aromatic
C12	C11	sing	1.42Å	1.49Å	Aromatic
C3	C11	sing	1.40Å	1.39Å	Aromatic
N13	C8	sing	1.32Å	1.36Å	Aromatic
C11	C10	doub	1.41Å	1.39Å	Aromatic
C2	N3	sing	1.47Å	1.46Å
C2	C1	sing	1.53Å	1.53Å
C8	N3	sing	1.39Å	1.40Å
C8	C9	doub	1.40Å	1.50Å	Aromatic
N3	C4	sing	1.47Å	1.46Å
C10	C9	sing	1.36Å	1.39Å	Aromatic
C1	N1	sing	1.47Å	1.47Å
C9	CL1	sing	1.74Å	1.80Å
C4	C5	sing	1.53Å	1.52Å
N1	C5	sing	1.47Å	1.47Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.08Å	1.08Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
C13	H12	sing	1.08Å	1.08Å
N1	H13	sing	1.01Å	1.00Å
C7	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C7	C6	121.0°	121.1°
C7	C13	C12	119.9°	119.8°
C7	C13	H12	120.1°	120.1°
C13	C7	H15	119.5°	119.4°
C7	C6	C3	121.1°	120.8°
C7	C6	H10	119.4°	119.6°
C6	C7	H15	119.5°	119.5°
C13	C12	N13	120.7°	120.9°
C13	C12	C11	119.1°	119.1°
C12	C13	H12	120.0°	120.1°
C6	C3	C11	119.9°	119.6°
C6	C3	H5	120.1°	120.2°
C3	C6	H10	119.4°	119.6°
N13	C12	C11	120.2°	120.0°
C12	N13	C8	121.6°	121.2°
C12	C11	C3	118.9°	119.6°
C12	C11	C10	119.5°	119.1°
C3	C11	C10	121.6°	121.2°
C11	C3	H5	120.0°	120.2°
N13	C8	N3	117.2°	119.3°
N13	C8	C9	119.8°	121.5°
C11	C10	C9	119.5°	118.3°
C11	C10	H11	120.2°	120.9°
N3	C2	C1	112.1°	109.3°
C2	N3	C8	118.3°	111.0°
C2	N3	C4	121.8°	110.9°
N3	C2	H3	108.8°	109.5°
N3	C2	H4	108.8°	109.5°
C2	C1	N1	113.5°	109.4°
C2	C1	H1	108.5°	109.5°
C2	C1	H2	108.5°	109.5°
C1	C2	H3	108.8°	109.5°
C1	C2	H4	108.8°	109.5°
N3	C8	C9	123.0°	119.3°
C8	N3	C4	119.7°	111.0°
C8	C9	C10	119.3°	119.9°
C8	C9	CL1	121.6°	120.1°
N3	C4	C5	106.7°	109.4°
N3	C4	H6	110.2°	109.4°
N3	C4	H7	110.1°	109.5°
C10	C9	CL1	119.1°	120.1°
C9	C10	H11	120.2°	120.9°
C1	N1	C5	109.3°	110.9°
N1	C1	H1	108.5°	109.5°
N1	C1	H2	108.5°	109.5°
C1	N1	H13	109.5°	111.0°
C4	C5	N1	108.1°	109.3°
C5	C4	H6	110.2°	109.5°
C5	C4	H7	110.2°	109.5°
C4	C5	H8	109.8°	109.5°
C4	C5	H9	109.8°	109.5°
N1	C5	H8	109.8°	109.5°
N1	C5	H9	109.8°	109.5°
C5	N1	H13	109.5°	111.0°
H1	C1	H2	109.5°	109.4°
H3	C2	H4	109.5°	109.5°
H6	C4	H7	109.5°	109.4°
H8	C5	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C7	C6	H15	180.0°	179.6°
C7	C13	C12	H12	180.0°	179.9°
C13	C7	C6	C3	0.1°	0.1°
C7	C13	C12	N13	180.0°	179.9°
C7	C13	C12	C11	0.0°	0.6°
C13	C7	C6	H10	179.9°	180.0°
C6	C7	C13	C12	0.1°	0.4°
C7	C6	C3	H10	180.0°	179.9°
C7	C6	C3	C11	0.1°	0.1°
C7	C6	C3	H5	179.9°	179.8°
C6	C7	C13	H12	179.9°	179.8°
C13	C12	N13	C11	180.0°	179.5°
C13	C12	C11	C3	0.0°	0.6°
C13	C12	N13	C8	179.9°	179.5°
C13	C12	C11	C10	180.0°	179.5°
C12	C13	C7	H15	179.9°	180.0°
C6	C3	C11	C12	0.0°	0.3°
C6	C3	C11	H5	180.0°	179.7°
C6	C3	C11	C10	180.0°	179.7°
C3	C6	C7	H15	179.8°	179.7°
N13	C12	C11	C3	180.0°	179.9°
N13	C12	C11	C10	0.0°	0.0°
C12	N13	C8	N3	179.8°	179.9°
C12	N13	C8	C9	0.1°	0.0°
N13	C12	C13	H12	0.0°	0.0°
C12	C11	C3	C10	180.0°	180.0°
C11	C12	N13	C8	0.1°	0.0°
C12	C11	C10	C9	0.1°	0.0°
C12	C11	C3	H5	180.0°	180.0°
C12	C11	C10	H11	179.9°	180.0°
C11	C12	C13	H12	180.0°	179.5°
C3	C11	C10	C9	179.8°	179.9°
C11	C3	C6	H10	179.9°	179.9°
C3	C11	C10	H11	0.1°	0.0°
N13	C8	N3	C2	55.0°	64.4°
N13	C8	N3	C9	179.7°	179.9°
N13	C8	N3	C4	121.5°	59.4°
N13	C8	C9	C10	0.1°	0.0°
N13	C8	C9	CL1	180.0°	180.0°
C11	C10	C9	C8	0.1°	0.0°
C11	C10	C9	H11	180.0°	179.9°
C11	C10	C9	CL1	180.0°	180.0°
C10	C11	C3	H5	0.1°	0.1°
N3	C2	C1	H3	120.4°	120.0°
N3	C2	C1	H4	120.4°	120.0°
C2	N3	C8	C4	176.5°	123.8°
C2	N3	C8	C9	125.3°	115.5°
N3	C2	C1	N1	35.5°	58.4°
C2	N3	C4	C5	46.2°	59.3°
N3	C2	C1	H1	156.1°	178.4°
N3	C2	C1	H2	85.1°	61.6°
N3	C2	H3	H4	118.8°	120.1°
C2	N3	C4	H6	165.8°	60.7°
C2	N3	C4	H7	73.4°	179.4°
C1	C2	N3	C8	150.3°	176.8°
C1	C2	N3	C4	33.3°	59.3°
C2	C1	N1	H1	120.6°	120.0°
C2	C1	N1	H2	120.6°	120.0°
C2	C1	N1	C5	55.3°	59.3°
C2	C1	H1	H2	118.2°	120.1°
C1	C2	H3	H4	118.8°	120.1°
C2	C1	N1	H13	64.7°	64.5°
N3	C8	C9	C10	179.7°	179.9°
N3	C8	C9	CL1	0.2°	0.0°
C8	N3	C4	C5	137.5°	176.8°
C8	N3	C2	H3	89.3°	56.9°
C8	N3	C2	H4	29.9°	63.2°
C8	N3	C4	H6	17.9°	63.2°
C8	N3	C4	H7	102.9°	56.8°
C9	C8	N3	C4	58.3°	120.7°
C8	C9	C10	CL1	179.9°	180.0°
C8	C9	C10	H11	179.9°	179.9°
N3	C4	C5	H6	119.6°	119.9°
N3	C4	C5	H7	119.6°	120.0°
N3	C4	C5	N1	62.0°	58.4°
C4	N3	C2	H3	87.1°	179.2°
C4	N3	C2	H4	153.7°	60.7°
N3	C4	H6	H7	121.2°	120.0°
N3	C4	C5	H8	57.8°	61.6°
N3	C4	C5	H9	178.3°	178.4°
C1	N1	C5	C4	69.5°	59.3°
C1	N1	C5	H13	120.0°	123.8°
N1	C1	H1	H2	118.2°	120.0°
N1	C1	C2	H3	84.9°	178.4°
N1	C1	C2	H4	155.9°	61.6°
C1	N1	C5	H8	50.3°	60.7°
C1	N1	C5	H9	170.7°	179.2°
CL1	C9	C10	H11	0.0°	0.1°
C4	C5	N1	H8	119.8°	120.0°
C4	C5	N1	H9	119.8°	119.9°
C5	C4	H6	H7	121.3°	120.1°
C4	C5	H8	H9	120.6°	120.0°
C4	C5	N1	H13	50.5°	64.5°
C5	N1	C1	H1	175.9°	179.3°
C5	N1	C1	H2	65.2°	60.7°
N1	C5	C4	H6	178.5°	61.5°
N1	C5	C4	H7	57.6°	178.4°
N1	C5	H8	H9	120.6°	120.1°
H1	C1	C2	H3	35.7°	61.7°
H1	C1	C2	H4	83.5°	58.4°
H1	C1	N1	H13	55.9°	55.5°
H2	C1	C2	H3	154.5°	58.4°
H2	C1	C2	H4	35.3°	178.4°
H2	C1	N1	H13	174.8°	175.5°
H5	C3	C6	H10	0.1°	0.4°
H6	C4	C5	H8	61.7°	178.5°
H6	C4	C5	H9	58.7°	58.4°
H7	C4	C5	H8	177.4°	58.5°
H7	C4	C5	H9	62.2°	61.6°
H8	C5	N1	H13	170.3°	175.5°
H9	C5	N1	H13	69.3°	55.4°
H10	C6	C7	H15	0.2°	0.4°
H12	C13	C7	H15	0.1°	0.2°

Release date:	2021-12-29
Definition date:	2021-06-13
Last modified:	2021-12-24
Release status:	REL
Processing site:	PDBE
Derived from:	7OUK