M5L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C04	sing	1.51Å	1.51Å
C04	C03	doub	1.38Å	1.39Å	Aromatic
C04	C05	sing	1.39Å	1.39Å	Aromatic
C03	C02	sing	1.39Å	1.40Å	Aromatic
C05	C06	doub	1.38Å	1.40Å	Aromatic
C02	N02	sing	1.39Å	1.35Å
C02	N01	doub	1.32Å	1.35Å	Aromatic
C06	N01	sing	1.32Å	1.35Å	Aromatic
C06	C08	sing	1.51Å	1.52Å
C16	C15	sing	1.53Å	1.53Å
C16	N11	sing	1.47Å	1.47Å
C15	C14	sing	1.53Å	1.53Å
F17	C14	sing	1.40Å	1.33Å
C08	C09	sing	1.53Å	1.53Å
C09	C10	sing	1.53Å	1.53Å
C14	F18	sing	1.40Å	1.33Å
C14	C13	sing	1.53Å	1.52Å
C10	N11	sing	1.47Å	1.48Å
N11	C12	sing	1.47Å	1.47Å
C12	C13	sing	1.53Å	1.52Å
C03	H1	sing	1.08Å	1.08Å
C05	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.09Å	1.10Å
C07	H4	sing	1.09Å	1.10Å
C07	H5	sing	1.09Å	1.10Å
C08	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
C15	H17	sing	1.09Å	1.10Å
C16	H18	sing	1.09Å	1.10Å
C16	H19	sing	1.09Å	1.10Å
N02	H20	sing	0.97Å	1.00Å
N02	H21	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C04	C03	120.1°	120.7°
C07	C04	C05	120.3°	120.8°
C04	C07	H3	109.5°	109.4°
C04	C07	H4	109.5°	109.4°
C04	C07	H5	109.5°	109.5°
C03	C04	C05	119.6°	118.5°
C04	C03	C02	119.2°	119.1°
C04	C03	H1	120.4°	120.5°
C04	C05	C06	119.5°	119.4°
C04	C05	H2	120.2°	120.3°
C03	C02	N02	120.8°	119.7°
C03	C02	N01	120.0°	120.5°
C02	C03	H1	120.4°	120.4°
C05	C06	N01	119.4°	120.8°
C05	C06	C08	123.2°	119.6°
C06	C05	H2	120.2°	120.3°
N02	C02	N01	119.2°	119.7°
C02	N02	H20	109.5°	120.0°
C02	N02	H21	109.5°	120.0°
C02	N01	C06	122.3°	121.7°
N01	C06	C08	117.4°	119.6°
C06	C08	C09	116.2°	109.5°
C06	C08	H6	107.7°	109.4°
C06	C08	H7	107.8°	109.4°
C15	C16	N11	113.7°	109.5°
C16	C15	C14	110.2°	109.3°
C16	C15	H16	109.3°	109.5°
C16	C15	H17	109.3°	109.5°
C15	C16	H18	108.4°	109.4°
C15	C16	H19	108.4°	109.5°
C16	N11	C10	109.5°	111.0°
C16	N11	C12	109.5°	111.2°
N11	C16	H18	108.4°	109.5°
N11	C16	H19	108.4°	109.5°
C15	C14	F17	109.7°	109.5°
C15	C14	F18	110.1°	109.6°
C15	C14	C13	108.4°	109.2°
C14	C15	H16	109.3°	109.5°
C14	C15	H17	109.3°	109.4°
F17	C14	F18	110.4°	109.5°
F17	C14	C13	109.5°	109.5°
C08	C09	C10	109.2°	109.5°
C09	C08	H6	107.8°	109.5°
C09	C08	H7	107.7°	109.5°
C08	C09	H8	109.5°	109.5°
C08	C09	H9	109.6°	109.5°
C09	C10	N11	113.7°	109.5°
C10	C09	H8	109.5°	109.5°
C10	C09	H9	109.5°	109.5°
C09	C10	H10	108.4°	109.4°
C09	C10	H11	108.4°	109.5°
F18	C14	C13	108.8°	109.5°
C14	C13	C12	109.8°	109.3°
C14	C13	H14	109.4°	109.5°
C14	C13	H15	109.4°	109.5°
C10	N11	C12	108.0°	111.0°
N11	C10	H10	108.4°	109.5°
N11	C10	H11	108.4°	109.5°
N11	C12	C13	110.8°	109.5°
N11	C12	H12	109.1°	109.4°
N11	C12	H13	109.1°	109.4°
C13	C12	H12	109.1°	109.5°
C13	C12	H13	109.1°	109.5°
C12	C13	H14	109.4°	109.5°
C12	C13	H15	109.4°	109.5°
H3	C07	H4	109.5°	109.4°
H3	C07	H5	109.5°	109.5°
H4	C07	H5	109.5°	109.5°
H6	C08	H7	109.5°	109.5°
H8	C09	H9	109.5°	109.4°
H10	C10	H11	109.5°	109.5°
H12	C12	H13	109.5°	109.5°
H14	C13	H15	109.5°	109.5°
H16	C15	H17	109.5°	109.5°
H18	C16	H19	109.5°	109.5°
H20	N02	H21	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C04	C03	C05	179.5°	180.0°
C07	C04	C03	C02	179.9°	180.0°
C07	C04	C05	C06	179.9°	180.0°
C07	C04	C03	H1	0.1°	0.0°
C07	C04	C05	H2	0.0°	0.0°
C04	C07	H3	H4	120.0°	119.9°
C04	C07	H3	H5	120.0°	120.1°
C04	C07	H4	H5	120.0°	120.0°
C04	C03	C02	H1	180.0°	180.0°
C03	C04	C05	C06	0.5°	0.0°
C04	C03	C02	N02	179.5°	180.0°
C04	C03	C02	N01	0.9°	0.3°
C03	C04	C05	H2	179.5°	179.9°
C03	C04	C07	H3	89.8°	90.1°
C03	C04	C07	H4	150.3°	150.0°
C03	C04	C07	H5	30.2°	30.0°
C05	C04	C03	C02	0.5°	0.0°
C04	C05	C06	H2	180.0°	179.9°
C04	C05	C06	N01	0.9°	0.3°
C04	C05	C06	C08	179.2°	180.0°
C05	C04	C03	H1	179.4°	180.0°
C05	C04	C07	H3	89.8°	90.0°
C05	C04	C07	H4	30.2°	29.9°
C05	C04	C07	H5	150.3°	149.9°
C03	C02	N02	N01	178.6°	179.7°
C03	C02	N01	C06	1.3°	0.6°
C03	C02	N02	H20	178.7°	179.7°
C03	C02	N02	H21	58.6°	0.4°
C05	C06	N01	C02	1.3°	0.6°
C05	C06	N01	C08	178.5°	179.7°
C05	C06	C08	C09	29.0°	125.0°
C05	C06	C08	H6	92.0°	115.0°
C05	C06	C08	H7	149.9°	5.0°
N02	C02	N01	C06	180.0°	179.8°
N02	C02	C03	H1	0.4°	0.0°
C02	N02	H20	H21	120.0°	179.9°
C02	N01	C06	C08	179.7°	179.7°
N01	C02	C03	H1	179.1°	179.7°
N01	C02	N02	H20	0.0°	0.0°
N01	C02	N02	H21	120.0°	179.9°
N01	C06	C08	C09	152.7°	54.7°
N01	C06	C05	H2	179.1°	179.8°
N01	C06	C08	H6	86.4°	65.3°
N01	C06	C08	H7	31.7°	174.7°
C06	C08	C09	H6	121.0°	120.0°
C06	C08	C09	H7	121.0°	120.0°
C06	C08	C09	C10	173.1°	180.0°
C08	C06	C05	H2	0.8°	0.1°
C06	C08	H6	H7	116.9°	120.0°
C06	C08	C09	H8	67.0°	59.9°
C06	C08	C09	H9	53.1°	59.9°
C15	C16	N11	H18	120.6°	119.9°
C15	C16	N11	H19	120.6°	120.0°
C16	C15	C14	H16	120.1°	120.0°
C16	C15	C14	H17	120.1°	119.9°
C16	C15	C14	F17	64.9°	62.3°
C16	C15	C14	F18	173.4°	177.6°
C16	C15	C14	C13	54.6°	57.6°
C15	C16	N11	C10	174.3°	174.2°
C15	C16	N11	C12	56.0°	61.8°
C16	C15	H16	H17	119.7°	120.1°
C15	C16	H18	H19	118.1°	119.9°
N11	C16	C15	C14	54.7°	59.1°
C16	N11	C10	C09	67.3°	170.0°
C16	N11	C10	C12	119.2°	124.2°
C16	N11	C12	C13	59.0°	61.8°
C16	N11	C10	H10	53.3°	50.0°
C16	N11	C10	H11	172.1°	70.0°
C16	N11	C12	H12	61.2°	178.2°
C16	N11	C12	H13	179.2°	58.3°
N11	C16	C15	H16	65.4°	179.2°
N11	C16	C15	H17	174.8°	60.7°
N11	C16	H18	H19	118.1°	120.1°
C15	C14	F17	F18	121.5°	120.1°
C15	C14	F17	C13	118.8°	119.7°
C15	C14	F18	C13	118.7°	119.8°
C15	C14	C13	C12	58.8°	57.6°
C15	C14	C13	H14	61.2°	177.6°
C15	C14	C13	H15	178.9°	62.3°
C14	C15	H16	H17	119.7°	120.0°
C14	C15	C16	H18	65.9°	60.8°
C14	C15	C16	H19	175.3°	179.2°
F17	C14	F18	C13	120.1°	120.1°
F17	C14	C13	C12	60.8°	62.3°
F17	C14	C13	H14	179.2°	57.6°
F17	C14	C13	H15	59.3°	177.7°
F17	C14	C15	H16	175.0°	57.7°
F17	C14	C15	H17	55.2°	177.8°
C08	C09	C10	H8	120.0°	120.0°
C08	C09	C10	H9	120.0°	120.0°
C08	C09	C10	N11	176.7°	180.0°
C09	C08	H6	H7	116.9°	120.0°
C08	C09	H8	H9	120.1°	119.9°
C08	C09	C10	H10	62.7°	60.0°
C08	C09	C10	H11	56.1°	60.0°
C09	C10	N11	H10	120.6°	120.0°
C09	C10	N11	H11	120.6°	120.0°
C09	C10	N11	C12	173.5°	65.8°
C10	C09	C08	H6	52.1°	60.0°
C10	C09	C08	H7	65.9°	60.0°
C10	C09	H8	H9	120.1°	120.0°
C09	C10	H10	H11	118.1°	120.0°
F18	C14	C13	C12	178.6°	177.6°
F18	C14	C13	H14	58.6°	62.4°
F18	C14	C13	H15	61.3°	57.7°
F18	C14	C15	H16	53.3°	62.4°
F18	C14	C15	H17	66.5°	57.7°
C14	C13	C12	N11	62.1°	59.2°
C14	C13	C12	H14	120.0°	119.9°
C14	C13	C12	H15	120.1°	119.9°
C14	C13	C12	H12	58.1°	179.1°
C14	C13	C12	H13	177.7°	60.8°
C14	C13	H14	H15	119.9°	120.1°
C13	C14	C15	H16	65.6°	177.6°
C13	C14	C15	H17	174.7°	62.3°
C10	N11	C12	C13	178.2°	174.2°
N11	C10	C09	H8	56.7°	60.0°
N11	C10	C09	H9	63.4°	60.0°
N11	C10	H10	H11	118.1°	120.1°
C10	N11	C12	H12	58.0°	54.2°
C10	N11	C12	H13	61.6°	65.8°
C10	N11	C16	H18	53.7°	65.9°
C10	N11	C16	H19	65.1°	54.2°
N11	C12	C13	H12	120.2°	119.9°
N11	C12	C13	H13	120.2°	120.0°
C12	N11	C10	H10	65.9°	174.2°
C12	N11	C10	H11	52.9°	54.2°
N11	C12	H12	H13	119.3°	119.9°
N11	C12	C13	H14	57.9°	179.1°
N11	C12	C13	H15	177.8°	60.7°
C12	N11	C16	H18	64.6°	58.2°
C12	N11	C16	H19	176.7°	178.2°
C13	C12	H12	H13	119.4°	120.1°
C12	C13	H14	H15	119.9°	120.1°
H3	C07	H4	H5	120.0°	120.1°
H6	C08	C09	H8	172.1°	179.9°
H6	C08	C09	H9	67.8°	60.0°
H7	C08	C09	H8	54.0°	60.0°
H7	C08	C09	H9	174.1°	179.9°
H8	C09	C10	H10	177.3°	180.0°
H8	C09	C10	H11	63.9°	60.0°
H9	C09	C10	H10	57.2°	60.0°
H9	C09	C10	H11	176.0°	180.0°
H12	C12	C13	H14	178.1°	60.9°
H12	C12	C13	H15	62.0°	59.2°
H13	C12	C13	H14	62.3°	59.1°
H13	C12	C13	H15	57.6°	179.3°
H16	C15	C16	H18	174.0°	59.2°
H16	C15	C16	H19	55.2°	60.8°
H17	C15	C16	H18	54.2°	179.3°
H17	C15	C16	H19	64.6°	59.3°

Release date:	2022-07-13
Definition date:	2022-03-14
Last modified:	2022-07-08
Release status:	REL
Processing site:	RCSB
Derived from:	7UAM