KMI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C04	sing	1.51Å	1.49Å
C04	C05	doub	1.39Å	1.38Å	Aromatic
C04	C03	sing	1.38Å	1.39Å	Aromatic
C05	C06	sing	1.39Å	1.40Å	Aromatic
C03	C02	doub	1.39Å	1.39Å	Aromatic
C06	C11	sing	1.48Å	1.48Å
C06	N01	doub	1.33Å	1.35Å	Aromatic
C02	N01	sing	1.32Å	1.35Å	Aromatic
C02	N02	sing	1.39Å	1.36Å
C12	C11	doub	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C11	C16	sing	1.39Å	1.40Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.40Å	Aromatic
C15	C17	sing	1.51Å	1.51Å
C17	N18	sing	1.47Å	1.48Å
N18	C19	sing	1.47Å	1.48Å
C13	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C03	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C07	H6	sing	1.09Å	1.10Å
C07	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.09Å	1.10Å
C16	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
C19	H14	sing	1.09Å	1.10Å
N02	H15	sing	0.97Å	1.00Å
N02	H16	sing	0.97Å	1.00Å
N18	H17	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C04	C05	120.3°	120.7°
C07	C04	C03	121.0°	120.7°
C04	C07	H6	109.5°	109.5°
C04	C07	H7	109.5°	109.5°
C04	C07	H8	109.5°	109.5°
C05	C04	C03	118.7°	118.5°
C04	C05	C06	118.9°	119.3°
C04	C05	H5	120.6°	120.3°
C04	C03	C02	120.5°	119.3°
C04	C03	H4	119.8°	120.3°
C05	C06	C11	117.9°	119.7°
C05	C06	N01	121.5°	120.6°
C06	C05	H5	120.5°	120.4°
C03	C02	N01	120.1°	120.8°
C03	C02	N02	119.9°	119.6°
C02	C03	H4	119.7°	120.4°
C11	C06	N01	120.3°	119.7°
C06	C11	C12	115.3°	120.2°
C06	C11	C16	123.1°	120.1°
C06	N01	C02	120.1°	121.5°
N01	C02	N02	119.9°	119.6°
C02	N02	H15	109.5°	120.0°
C02	N02	H16	109.5°	120.0°
C11	C12	C13	119.5°	119.9°
C12	C11	C16	121.5°	119.7°
C11	C12	H2	120.3°	120.0°
C12	C13	C14	119.6°	120.1°
C12	C13	H1	120.2°	120.0°
C13	C12	H2	120.2°	120.1°
C11	C16	C15	118.6°	119.9°
C11	C16	H9	120.7°	120.0°
C13	C14	C15	121.3°	120.2°
C14	C13	H1	120.2°	119.9°
C13	C14	H3	119.3°	119.9°
C16	C15	C14	119.4°	120.2°
C16	C15	C17	123.1°	119.9°
C15	C16	H9	120.7°	120.1°
C14	C15	C17	117.4°	119.9°
C15	C14	H3	119.4°	119.9°
C15	C17	N18	106.9°	109.4°
C15	C17	H10	110.1°	109.5°
C15	C17	H11	110.1°	109.4°
C17	N18	C19	114.2°	111.0°
N18	C17	H10	110.1°	109.5°
N18	C17	H11	110.1°	109.5°
C17	N18	H17	108.3°	111.0°
N18	C19	H12	109.5°	109.5°
N18	C19	H13	109.5°	109.5°
N18	C19	H14	109.4°	109.5°
C19	N18	H17	108.3°	111.0°
H6	C07	H7	109.5°	109.5°
H6	C07	H8	109.5°	109.4°
H7	C07	H8	109.5°	109.4°
H10	C17	H11	109.5°	109.5°
H12	C19	H13	109.4°	109.5°
H12	C19	H14	109.5°	109.4°
H13	C19	H14	109.5°	109.4°
H15	N02	H16	109.4°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C04	C05	C03	178.9°	179.9°
C07	C04	C05	C06	177.4°	179.9°
C07	C04	C03	C02	179.1°	179.9°
C07	C04	C03	H4	0.9°	0.1°
C07	C04	C05	H5	2.6°	0.1°
C04	C07	H6	H7	120.0°	120.1°
C04	C07	H6	H8	120.0°	120.0°
C04	C07	H7	H8	120.0°	120.0°
C04	C05	C06	H5	180.0°	180.0°
C05	C04	C03	C02	0.2°	0.0°
C04	C05	C06	C11	177.6°	180.0°
C04	C05	C06	N01	3.7°	0.0°
C05	C04	C03	H4	179.8°	180.0°
C05	C04	C07	H6	89.5°	89.9°
C05	C04	C07	H7	150.5°	150.0°
C05	C04	C07	H8	30.5°	30.0°
C03	C04	C05	C06	1.6°	0.0°
C04	C03	C02	H4	180.0°	180.0°
C04	C03	C02	N01	0.0°	0.0°
C04	C03	C02	N02	179.2°	179.7°
C03	C04	C05	H5	178.4°	180.0°
C03	C04	C07	H6	89.5°	90.0°
C03	C04	C07	H7	30.6°	30.1°
C03	C04	C07	H8	150.5°	150.1°
C05	C06	C11	N01	174.0°	180.0°
C05	C06	N01	C02	3.9°	0.1°
C05	C06	C11	C12	113.6°	0.7°
C05	C06	C11	C16	62.7°	180.0°
C03	C02	N01	C06	2.0°	0.1°
C03	C02	N01	N02	179.2°	179.7°
C03	C02	N02	H15	179.2°	179.7°
C03	C02	N02	H16	59.2°	0.2°
C11	C06	N01	C02	177.7°	180.0°
C06	C11	C12	C16	176.4°	179.3°
C06	C11	C12	C13	178.6°	179.8°
C06	C11	C16	C15	177.6°	180.0°
C06	C11	C12	H2	1.4°	0.3°
C11	C06	C05	H5	2.4°	0.0°
C06	C11	C16	H9	2.4°	0.7°
C06	N01	C02	N02	178.8°	179.8°
N01	C06	C11	C12	60.4°	179.3°
N01	C06	C11	C16	123.3°	0.0°
N01	C06	C05	H5	176.3°	180.0°
N01	C02	C03	H4	180.0°	180.0°
N01	C02	N02	H15	0.0°	0.0°
N01	C02	N02	H16	120.0°	179.9°
N02	C02	C03	H4	0.8°	0.3°
C02	N02	H15	H16	120.0°	179.9°
C11	C12	C13	H2	180.0°	180.0°
C11	C12	C13	C14	1.5°	0.0°
C12	C11	C16	C15	1.5°	0.7°
C11	C12	C13	H1	178.5°	179.7°
C12	C11	C16	H9	178.5°	180.0°
C13	C12	C11	C16	2.2°	0.5°
C12	C13	C14	H1	180.0°	179.7°
C12	C13	C14	C15	0.1°	0.3°
C12	C13	C14	H3	179.9°	179.7°
C11	C16	C15	H9	180.0°	179.3°
C11	C16	C15	C14	0.1°	0.4°
C11	C16	C15	C17	179.0°	179.5°
C16	C11	C12	H2	177.8°	179.5°
C13	C14	C15	C16	0.6°	0.0°
C13	C14	C15	H3	180.0°	180.0°
C13	C14	C15	C17	179.7°	180.0°
C14	C13	C12	H2	178.5°	180.0°
C16	C15	C14	C17	179.1°	180.0°
C16	C15	C17	N18	151.9°	90.0°
C16	C15	C14	H3	179.4°	180.0°
C16	C15	C17	H10	32.3°	30.0°
C16	C15	C17	H11	88.5°	150.0°
C14	C15	C17	N18	27.2°	90.0°
C15	C14	C13	H1	179.9°	180.0°
C14	C15	C16	H9	179.9°	179.8°
C14	C15	C17	H10	146.8°	150.0°
C14	C15	C17	H11	92.4°	30.0°
C15	C17	N18	H10	119.6°	120.0°
C15	C17	N18	H11	119.6°	119.9°
C15	C17	N18	C19	168.5°	180.0°
C17	C15	C14	H3	0.3°	0.0°
C17	C15	C16	H9	1.0°	0.2°
C15	C17	H10	H11	121.2°	120.0°
C15	C17	N18	H17	70.8°	56.1°
C17	N18	C19	H17	120.7°	123.9°
N18	C17	H10	H11	121.2°	120.0°
C17	N18	C19	H12	180.0°	60.0°
C17	N18	C19	H13	60.0°	60.0°
C17	N18	C19	H14	60.0°	180.0°
C19	N18	C17	H10	48.8°	60.0°
C19	N18	C17	H11	72.0°	60.0°
N18	C19	H12	H13	120.0°	120.1°
N18	C19	H12	H14	120.0°	120.0°
N18	C19	H13	H14	120.0°	120.0°
H1	C13	C12	H2	1.5°	0.3°
H1	C13	C14	H3	0.1°	0.1°
H6	C07	H7	H8	120.0°	120.0°
H10	C17	N18	H17	169.5°	176.1°
H11	C17	N18	H17	48.8°	63.9°
H12	C19	H13	H14	120.0°	119.9°
H12	C19	N18	H17	59.3°	176.0°
H13	C19	N18	H17	179.3°	63.9°
H14	C19	N18	H17	60.7°	56.0°

Release date:	2022-07-13
Definition date:	2022-02-04
Last modified:	2022-07-08
Release status:	REL
Processing site:	RCSB
Derived from:	7TSA