Y8M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C06	sing	1.53Å	1.52Å
C07	C08	sing	1.53Å	1.53Å
C06	C05	sing	1.51Å	1.53Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C14	C09	sing	1.38Å	1.38Å	Aromatic
C15	C05	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C08	C09	sing	1.51Å	1.53Å
C05	C04	sing	1.38Å	1.39Å	Aromatic
C16	C02	doub	1.39Å	1.39Å	Aromatic
C09	C10	doub	1.38Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.38Å	Aromatic
C04	C03	doub	1.38Å	1.38Å	Aromatic
C02	C03	sing	1.39Å	1.38Å	Aromatic
C02	N01	sing	1.40Å	1.45Å
C10	C11	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C03	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C06	H6	sing	1.09Å	1.10Å
C06	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
N01	H16	sing	0.97Å	1.00Å
N01	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C07	C08	111.0°	109.5°
C07	C06	C05	113.6°	109.4°
C07	C06	H6	108.5°	109.4°
C07	C06	H7	108.4°	109.4°
C06	C07	H8	109.1°	109.5°
C06	C07	H9	109.1°	109.5°
C07	C08	C09	112.2°	109.5°
C08	C07	H8	109.1°	109.4°
C08	C07	H9	109.1°	109.5°
C07	C08	H10	108.8°	109.4°
C07	C08	H11	108.8°	109.5°
C06	C05	C15	119.7°	119.9°
C06	C05	C04	120.8°	120.0°
C05	C06	H6	108.4°	109.5°
C05	C06	H7	108.4°	109.5°
C13	C14	C09	119.4°	120.0°
C14	C13	C12	120.2°	120.0°
C14	C13	H2	119.9°	120.0°
C13	C14	H14	120.3°	120.0°
C14	C09	C08	119.5°	120.0°
C14	C09	C10	120.6°	120.0°
C09	C14	H14	120.3°	120.0°
C05	C15	C16	119.9°	120.1°
C15	C05	C04	119.5°	120.1°
C05	C15	H3	120.0°	120.0°
C15	C16	C02	120.2°	119.9°
C16	C15	H3	120.0°	120.0°
C15	C16	H15	119.9°	120.0°
C13	C12	C11	120.5°	120.0°
C12	C13	H2	119.9°	120.0°
C13	C12	H13	119.8°	120.0°
C08	C09	C10	119.9°	120.0°
C09	C08	H10	108.8°	109.5°
C09	C08	H11	108.8°	109.5°
C05	C04	C03	120.5°	120.1°
C05	C04	H5	119.8°	119.9°
C16	C02	C03	119.7°	119.9°
C16	C02	N01	121.1°	120.1°
C02	C16	H15	119.9°	120.0°
C09	C10	C11	119.5°	120.0°
C09	C10	H1	120.3°	120.0°
C12	C11	C10	119.8°	120.0°
C12	C11	H12	120.1°	120.0°
C11	C12	H13	119.8°	120.0°
C04	C03	C02	120.2°	119.9°
C04	C03	H4	119.9°	120.0°
C03	C04	H5	119.7°	120.0°
C03	C02	N01	119.2°	120.1°
C02	C03	H4	119.9°	120.0°
C02	N01	H16	109.5°	120.0°
C02	N01	H17	109.4°	120.0°
C11	C10	H1	120.2°	120.0°
C10	C11	H12	120.1°	120.0°
H6	C06	H7	109.5°	109.5°
H8	C07	H9	109.5°	109.4°
H10	C08	H11	109.4°	109.5°
H16	N01	H17	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C07	C08	H8	120.2°	120.0°
C06	C07	C08	H9	120.3°	120.0°
C07	C06	C05	H6	120.6°	119.9°
C07	C06	C05	H7	120.6°	120.0°
C07	C06	C05	C15	69.8°	90.1°
C06	C07	C08	C09	65.9°	180.0°
C07	C06	C05	C04	110.2°	90.1°
C07	C06	H6	H7	118.2°	120.0°
C06	C07	H8	H9	119.3°	120.0°
C06	C07	C08	H10	173.7°	60.0°
C06	C07	C08	H11	54.6°	60.0°
C08	C07	C06	C05	75.7°	180.0°
C07	C08	C09	C14	64.4°	90.0°
C07	C08	C09	H10	120.4°	120.0°
C07	C08	C09	H11	120.4°	120.0°
C07	C08	C09	C10	116.1°	90.0°
C08	C07	C06	H6	163.7°	60.0°
C08	C07	C06	H7	44.9°	60.0°
C08	C07	H8	H9	119.3°	119.9°
C07	C08	H10	H11	118.7°	120.0°
C06	C05	C15	C04	180.0°	179.9°
C06	C05	C15	C16	179.4°	179.9°
C06	C05	C04	C03	179.3°	179.9°
C06	C05	C15	H3	0.6°	0.4°
C06	C05	C04	H5	0.7°	0.1°
C05	C06	H6	H7	118.1°	120.1°
C05	C06	C07	H8	164.0°	60.0°
C05	C06	C07	H9	44.5°	60.0°
C13	C14	C09	H14	180.0°	179.2°
C14	C13	C12	H2	180.0°	179.4°
C13	C14	C09	C08	179.5°	179.4°
C13	C14	C09	C10	0.1°	0.5°
C14	C13	C12	C11	0.4°	0.5°
C14	C13	C12	H13	179.7°	180.0°
C09	C14	C13	C12	0.2°	0.8°
C14	C09	C08	C10	179.5°	180.0°
C14	C09	C10	C11	0.2°	0.0°
C14	C09	C10	H1	179.9°	179.7°
C09	C14	C13	H2	179.8°	179.7°
C14	C09	C08	H10	56.0°	150.0°
C14	C09	C08	H11	175.2°	30.0°
C05	C15	C16	H3	180.0°	179.8°
C05	C15	C16	C02	0.2°	0.1°
C15	C05	C04	C03	0.7°	0.0°
C15	C05	C04	H5	179.3°	180.0°
C15	C05	C06	H6	50.8°	150.0°
C15	C05	C06	H7	169.6°	29.9°
C05	C15	C16	H15	179.8°	179.9°
C16	C15	C05	C04	0.6°	0.0°
C15	C16	C02	H15	180.0°	179.9°
C15	C16	C02	C03	0.0°	0.1°
C15	C16	C02	N01	180.0°	180.0°
C13	C12	C11	H13	180.0°	179.5°
C13	C12	C11	C10	0.4°	0.0°
C13	C12	C11	H12	179.5°	180.0°
C12	C13	C14	H14	179.8°	180.0°
C08	C09	C10	C11	179.4°	180.0°
C08	C09	C10	H1	0.6°	0.3°
C09	C08	C07	H8	54.3°	60.0°
C09	C08	C07	H9	173.9°	60.0°
C09	C08	H10	H11	118.8°	120.1°
C08	C09	C14	H14	0.6°	0.2°
C05	C04	C03	H5	180.0°	180.0°
C05	C04	C03	C02	0.4°	0.1°
C04	C05	C15	H3	179.4°	179.8°
C05	C04	C03	H4	179.6°	180.0°
C04	C05	C06	H6	129.2°	29.9°
C04	C05	C06	H7	10.4°	150.0°
C16	C02	C03	C04	0.1°	0.1°
C16	C02	C03	N01	179.9°	179.9°
C02	C16	C15	H3	179.8°	179.7°
C16	C02	C03	H4	179.9°	180.0°
C16	C02	N01	H16	180.0°	179.9°
C16	C02	N01	H17	60.0°	0.1°
C09	C10	C11	C12	0.3°	0.3°
C09	C10	C11	H1	180.0°	179.7°
C10	C09	C08	H10	123.5°	29.9°
C10	C09	C08	H11	4.4°	150.0°
C09	C10	C11	H12	179.7°	179.7°
C10	C09	C14	H14	179.9°	179.7°
C12	C11	C10	H12	180.0°	180.0°
C12	C11	C10	H1	179.7°	180.0°
C11	C12	C13	H2	179.6°	180.0°
C04	C03	C02	H4	180.0°	179.9°
C04	C03	C02	N01	179.9°	180.0°
C02	C03	C04	H5	179.6°	180.0°
C03	C02	C16	H15	180.0°	180.0°
C03	C02	N01	H16	0.1°	0.1°
C03	C02	N01	H17	120.0°	180.0°
N01	C02	C03	H4	0.1°	0.1°
N01	C02	C16	H15	0.0°	0.1°
C02	N01	H16	H17	120.0°	180.0°
C10	C11	C12	H13	179.6°	179.5°
H1	C10	C11	H12	0.3°	0.0°
H2	C13	C12	H13	0.4°	0.5°
H2	C13	C14	H14	0.2°	0.5°
H3	C15	C16	H15	0.2°	0.2°
H4	C03	C04	H5	0.4°	0.1°
H6	C06	C07	H8	43.4°	180.0°
H6	C06	C07	H9	76.1°	60.0°
H7	C06	C07	H8	75.4°	60.0°
H7	C06	C07	H9	165.1°	180.0°
H8	C07	C08	H10	66.1°	180.0°
H8	C07	C08	H11	174.8°	60.1°
H9	C07	C08	H10	53.4°	60.0°
H9	C07	C08	H11	65.7°	180.0°
H12	C11	C12	H13	0.4°	0.6°

Release date:	2021-05-19
Definition date:	2021-02-10
Last modified:	2021-05-14
Release status:	REL
Processing site:	RCSB
Derived from:	7LOJ