LD9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C04	C02	sing	1.51Å	1.56Å
C04	C05	sing	1.51Å	1.46Å
O03	C02	doub	1.21Å	1.25Å
C02	O01	sing	1.34Å	1.25Å
C05	C06	doub	1.34Å	1.37Å	Aromatic
C05	C20	sing	1.47Å	1.46Å	Aromatic
C06	O07	sing	1.35Å	1.39Å	Aromatic
C20	C19	doub	1.39Å	1.39Å	Aromatic
C20	C08	sing	1.41Å	1.40Å	Aromatic
C19	C18	sing	1.37Å	1.39Å	Aromatic
O07	C08	sing	1.35Å	1.38Å	Aromatic
C08	C09	doub	1.39Å	1.40Å	Aromatic
C18	C10	doub	1.39Å	1.41Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C09	C10	sing	1.39Å	1.39Å	Aromatic
C17	C12	sing	1.39Å	1.39Å	Aromatic
C10	N11	sing	1.40Å	1.44Å
C15	C14	doub	1.38Å	1.39Å	Aromatic
C12	N11	sing	1.40Å	1.42Å
C12	C13	doub	1.39Å	1.40Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C04	H1	sing	1.09Å	1.10Å
C04	H2	sing	1.09Å	1.10Å
C06	H3	sing	1.08Å	1.08Å
C09	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å
N11	H12	sing	0.97Å	1.00Å
O01	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C02	C04	C05	114.1°	109.5°
C04	C02	O03	116.8°	120.0°
C04	C02	O01	116.5°	120.0°
C02	C04	H1	108.3°	109.5°
C02	C04	H2	108.3°	109.5°
C04	C05	C06	124.6°	126.9°
C04	C05	C20	130.8°	126.9°
C05	C04	H1	108.3°	109.5°
C05	C04	H2	108.3°	109.5°
O03	C02	O01	126.7°	120.0°
C02	O01	H13	109.5°	117.0°
C06	C05	C20	104.6°	106.2°
C05	C06	O07	113.2°	110.1°
C05	C06	H3	123.4°	124.9°
C05	C20	C19	136.1°	134.3°
C05	C20	C08	106.7°	105.5°
C06	O07	C08	105.2°	110.9°
O07	C06	H3	123.4°	125.0°
C19	C20	C08	117.2°	120.2°
C20	C19	C18	119.8°	119.8°
C20	C19	H11	120.1°	120.0°
C20	C08	O07	110.3°	107.3°
C20	C08	C09	124.9°	119.3°
C19	C18	C10	121.7°	120.4°
C19	C18	H10	119.1°	119.8°
C18	C19	H11	120.1°	120.1°
O07	C08	C09	124.7°	133.4°
C08	C09	C10	116.5°	119.7°
C08	C09	H4	121.8°	120.1°
C18	C10	C09	119.9°	120.5°
C18	C10	N11	118.8°	119.7°
C10	C18	H10	119.1°	119.8°
C17	C16	C15	120.4°	120.0°
C16	C17	C12	120.9°	120.0°
C17	C16	H8	119.8°	120.0°
C16	C17	H9	119.6°	120.0°
C16	C15	C14	119.0°	120.2°
C16	C15	H7	120.5°	119.9°
C15	C16	H8	119.8°	120.0°
C09	C10	N11	121.3°	119.7°
C10	C09	H4	121.7°	120.1°
C17	C12	N11	120.2°	120.1°
C17	C12	C13	118.7°	119.8°
C12	C17	H9	119.5°	120.0°
C10	N11	C12	127.9°	120.0°
C10	N11	H12	116.1°	120.0°
C15	C14	C13	120.7°	120.0°
C15	C14	H6	119.6°	120.0°
C14	C15	H7	120.5°	120.0°
N11	C12	C13	121.1°	120.1°
C12	N11	H12	116.1°	120.0°
C12	C13	C14	120.2°	120.0°
C12	C13	H5	119.9°	120.0°
C14	C13	H5	119.9°	120.0°
C13	C14	H6	119.7°	120.0°
H1	C04	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C04	C05	H1	120.7°	120.0°
C02	C04	C05	H2	120.7°	120.0°
C04	C02	O03	O01	179.4°	179.7°
C02	C04	C05	C06	106.5°	95.0°
C02	C04	C05	C20	72.6°	84.7°
C02	C04	H1	H2	117.9°	119.9°
C04	C02	O01	H13	179.4°	180.0°
C05	C04	C02	O03	100.0°	0.3°
C05	C04	C02	O01	79.4°	180.0°
C04	C05	C06	C20	179.3°	179.7°
C04	C05	C06	O07	179.7°	180.0°
C04	C05	C20	C19	0.7°	0.0°
C04	C05	C20	C08	179.5°	180.0°
C05	C04	H1	H2	117.9°	120.0°
C04	C05	C06	H3	0.3°	0.0°
O03	C02	C04	H1	139.3°	119.8°
O03	C02	C04	H2	20.7°	120.3°
O03	C02	O01	H13	0.0°	0.3°
O01	C02	C04	H1	41.3°	59.9°
O01	C02	C04	H2	159.9°	60.0°
C05	C06	O07	H3	180.0°	180.0°
C06	C05	C20	C19	179.9°	179.8°
C06	C05	C20	C08	0.3°	0.3°
C05	C06	O07	C08	0.3°	0.2°
C06	C05	C04	H1	132.8°	145.0°
C06	C05	C04	H2	14.2°	25.0°
C20	C05	C06	O07	0.4°	0.3°
C05	C20	C19	C08	179.7°	179.9°
C05	C20	C19	C18	179.8°	180.0°
C05	C20	C08	O07	0.2°	0.2°
C05	C20	C08	C09	179.7°	180.0°
C20	C05	C04	H1	48.1°	35.3°
C20	C05	C04	H2	166.7°	155.3°
C20	C05	C06	H3	179.6°	179.7°
C05	C20	C19	H11	0.2°	0.1°
C06	O07	C08	C20	0.1°	0.0°
C06	O07	C08	C09	179.9°	179.8°
C20	C19	C18	H11	180.0°	179.9°
C19	C20	C08	O07	180.0°	179.9°
C19	C20	C08	C09	0.1°	0.1°
C20	C19	C18	C10	0.0°	0.1°
C20	C19	C18	H10	180.0°	180.0°
C08	C20	C19	C18	0.0°	0.1°
C20	C08	O07	C09	179.9°	179.8°
C20	C08	C09	C10	0.2°	0.0°
C20	C08	C09	H4	179.8°	180.0°
C08	C20	C19	H11	180.0°	180.0°
C19	C18	C10	H10	180.0°	180.0°
C19	C18	C10	C09	0.1°	0.0°
C19	C18	C10	N11	180.0°	179.9°
O07	C08	C09	C10	179.9°	179.7°
C08	O07	C06	H3	179.7°	179.8°
O07	C08	C09	H4	0.1°	0.2°
C08	C09	C10	C18	0.2°	0.0°
C08	C09	C10	H4	180.0°	180.0°
C08	C09	C10	N11	180.0°	180.0°
C18	C10	C09	N11	179.8°	179.9°
C18	C10	N11	C12	28.8°	30.4°
C18	C10	C09	H4	179.8°	180.0°
C10	C18	C19	H11	180.0°	180.0°
C18	C10	N11	H12	151.2°	149.7°
C17	C16	C15	H8	180.0°	179.3°
C16	C17	C12	H9	180.0°	179.5°
C17	C16	C15	C14	0.2°	0.4°
C16	C17	C12	N11	180.0°	179.7°
C16	C17	C12	C13	0.1°	0.5°
C17	C16	C15	H7	179.8°	179.8°
C15	C16	C17	C12	0.0°	0.6°
C16	C15	C14	H7	180.0°	179.8°
C16	C15	C14	C13	0.3°	0.1°
C16	C15	C14	H6	179.7°	180.0°
C15	C16	C17	H9	180.0°	179.9°
C09	C10	N11	C12	151.0°	149.7°
C09	C10	C18	H10	179.9°	180.0°
C09	C10	N11	H12	29.0°	30.3°
C17	C12	N11	C10	44.6°	30.3°
C17	C12	N11	C13	179.9°	179.8°
C17	C12	C13	C14	0.1°	0.2°
C17	C12	C13	H5	179.9°	179.8°
C12	C17	C16	H8	180.0°	179.9°
C17	C12	N11	H12	135.4°	149.6°
C10	N11	C12	H12	180.0°	180.0°
C10	N11	C12	C13	135.5°	149.9°
N11	C10	C09	H4	0.0°	0.1°
N11	C10	C18	H10	0.0°	0.0°
C15	C14	C13	C12	0.1°	0.0°
C15	C14	C13	H6	180.0°	180.0°
C15	C14	C13	H5	179.9°	180.0°
C14	C15	C16	H8	179.8°	179.7°
N11	C12	C13	C14	179.9°	180.0°
N11	C12	C13	H5	0.1°	0.0°
N11	C12	C17	H9	0.0°	0.2°
C12	C13	C14	H5	180.0°	179.9°
C12	C13	C14	H6	179.9°	180.0°
C13	C12	C17	H9	179.8°	180.0°
C13	C12	N11	H12	44.5°	30.1°
C13	C14	C15	H7	179.7°	179.9°
H5	C13	C14	H6	0.1°	0.1°
H6	C14	C15	H7	0.3°	0.1°
H7	C15	C16	H8	0.2°	0.4°
H8	C16	C17	H9	0.0°	0.6°
H10	C18	C19	H11	0.0°	0.1°

Release date:	2019-11-06
Definition date:	2019-07-02
Last modified:	2019-11-01
Release status:	REL
Processing site:	RCSB
Derived from:	6PMF