6TJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C06	doub	1.38Å	1.39Å	Aromatic
C07	C08	sing	1.38Å	1.39Å	Aromatic
C06	C05	sing	1.38Å	1.40Å	Aromatic
C08	C09	sing	1.51Å	1.54Å
C08	C13	doub	1.39Å	1.38Å	Aromatic
C09	N10	sing	1.47Å	1.44Å
C05	C04	doub	1.39Å	1.39Å	Aromatic
C13	C04	sing	1.41Å	1.40Å	Aromatic
C13	C11	sing	1.48Å	1.53Å
C15	C16	doub	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.39Å	1.39Å	Aromatic
C04	C02	sing	1.48Å	1.52Å
N10	C14	sing	1.40Å	1.44Å
N10	C11	sing	1.34Å	1.45Å
C16	C17	sing	1.38Å	1.38Å	Aromatic
C14	C19	doub	1.39Å	1.38Å	Aromatic
C11	O12	doub	1.22Å	1.19Å
C02	O03	doub	1.21Å	1.26Å
C02	O01	sing	1.35Å	1.26Å
C17	C18	doub	1.38Å	1.38Å	Aromatic
C19	C18	sing	1.38Å	1.38Å	Aromatic
O01	H1	sing	0.97Å	0.95Å
C05	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.09Å	1.10Å
C09	H6	sing	1.09Å	1.10Å
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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C07	C08	120.2°	120.2°
C07	C06	C05	119.7°	120.3°
C07	C06	H3	120.1°	119.9°
C06	C07	H4	119.9°	119.9°
C07	C08	C09	131.6°	133.1°
C07	C08	C13	120.2°	120.4°
C08	C07	H4	119.9°	119.9°
C06	C05	C04	120.1°	120.2°
C06	C05	H2	119.9°	120.0°
C05	C06	H3	120.2°	119.8°
C09	C08	C13	108.2°	106.5°
C08	C09	N10	107.5°	106.2°
C08	C09	H5	110.0°	110.1°
C08	C09	H6	109.9°	110.1°
C08	C13	C04	119.8°	119.3°
C08	C13	C11	108.4°	108.4°
C09	N10	C14	124.0°	125.7°
C09	N10	C11	108.6°	108.7°
N10	C09	H5	110.0°	110.1°
N10	C09	H6	110.0°	110.1°
C05	C04	C13	120.0°	119.5°
C05	C04	C02	119.2°	120.3°
C04	C05	H2	120.0°	119.9°
C04	C13	C11	131.9°	132.3°
C13	C04	C02	120.8°	120.2°
C13	C11	N10	107.3°	110.2°
C13	C11	O12	125.2°	124.9°
C16	C15	C14	119.6°	119.9°
C15	C16	C17	119.6°	120.1°
C16	C15	H7	120.2°	120.0°
C15	C16	H8	120.2°	120.0°
C15	C14	N10	120.1°	120.1°
C15	C14	C19	120.5°	119.9°
C14	C15	H7	120.2°	120.0°
C04	C02	O03	122.6°	120.0°
C04	C02	O01	116.7°	120.0°
C14	N10	C11	127.3°	125.7°
N10	C14	C19	119.2°	120.1°
N10	C11	O12	127.5°	124.9°
C16	C17	C18	120.5°	120.1°
C17	C16	H8	120.2°	119.9°
C16	C17	H9	119.8°	119.9°
C14	C19	C18	119.8°	119.9°
C14	C19	H11	120.1°	120.1°
O03	C02	O01	120.6°	120.0°
C02	O01	H1	109.5°	117.0°
C17	C18	C19	119.9°	120.1°
C18	C17	H9	119.7°	119.9°
C17	C18	H10	120.1°	119.9°
C19	C18	H10	120.0°	119.9°
C18	C19	H11	120.1°	120.0°
H5	C09	H6	109.4°	110.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C07	C08	H4	180.0°	180.0°
C07	C06	C05	H3	180.0°	180.0°
C06	C07	C08	C09	179.6°	180.0°
C06	C07	C08	C13	0.5°	0.2°
C07	C06	C05	C04	0.0°	0.0°
C07	C06	C05	H2	180.0°	180.0°
C08	C07	C06	C05	0.4°	0.0°
C07	C08	C09	C13	179.9°	179.8°
C07	C08	C09	N10	178.8°	180.0°
C07	C08	C13	C04	0.1°	0.5°
C07	C08	C13	C11	180.0°	179.8°
C08	C07	C06	H3	179.6°	180.0°
C07	C08	C09	H5	61.4°	60.8°
C07	C08	C09	H6	59.1°	60.8°
C06	C05	C04	H2	180.0°	180.0°
C06	C05	C04	C13	0.4°	0.3°
C06	C05	C04	C02	179.0°	180.0°
C05	C06	C07	H4	179.5°	180.0°
C08	C09	N10	H5	119.7°	119.2°
C08	C09	N10	H6	119.7°	119.2°
C09	C08	C13	C04	180.0°	179.7°
C09	C08	C13	C11	0.1°	0.4°
C08	C09	N10	C14	177.5°	179.9°
C08	C09	N10	C11	1.8°	0.0°
C09	C08	C07	H4	0.4°	0.1°
C08	C09	H5	H6	120.9°	121.6°
C13	C08	C09	N10	1.1°	0.2°
C08	C13	C04	C05	0.3°	0.6°
C08	C13	C04	C11	179.8°	179.1°
C08	C13	C04	C02	179.0°	179.8°
C08	C13	C11	N10	1.2°	0.4°
C08	C13	C11	O12	180.0°	179.9°
C13	C08	C07	H4	179.5°	179.7°
C13	C08	C09	H5	118.7°	119.4°
C13	C08	C09	H6	120.8°	119.0°
C09	N10	C11	C13	1.9°	0.2°
C09	N10	C14	C15	6.3°	0.3°
C09	N10	C14	C11	174.8°	179.9°
C09	N10	C14	C19	168.4°	180.0°
C09	N10	C11	O12	179.3°	180.0°
N10	C09	H5	H6	120.9°	121.6°
C05	C04	C13	C02	178.7°	179.7°
C05	C04	C13	C11	179.5°	179.7°
C05	C04	C02	O03	106.6°	179.9°
C05	C04	C02	O01	74.2°	0.0°
C04	C05	C06	H3	180.0°	179.9°
C04	C13	C11	N10	178.9°	179.6°
C04	C13	C11	O12	0.1°	0.7°
C13	C04	C02	O03	74.8°	0.3°
C13	C04	C02	O01	104.4°	179.7°
C13	C04	C05	H2	179.7°	179.7°
C11	C13	C04	C02	0.9°	0.7°
C13	C11	N10	C14	177.4°	179.8°
C13	C11	N10	O12	178.8°	179.7°
C16	C15	C14	H7	180.0°	179.9°
C16	C15	C14	N10	177.4°	180.0°
C15	C16	C17	H8	180.0°	179.9°
C16	C15	C14	C19	2.7°	0.3°
C15	C16	C17	C18	0.7°	0.0°
C15	C16	C17	H9	179.3°	179.9°
C15	C14	N10	C19	174.7°	179.7°
C15	C14	N10	C11	178.9°	179.8°
C14	C15	C16	C17	1.1°	0.0°
C15	C14	C19	C18	2.6°	0.6°
C14	C15	C16	H8	179.0°	179.9°
C15	C14	C19	H11	177.4°	179.7°
C04	C02	O03	O01	179.2°	179.9°
C04	C02	O01	H1	179.2°	180.0°
C02	C04	C05	H2	1.0°	0.0°
C14	N10	C11	O12	3.9°	0.1°
N10	C14	C19	C18	177.4°	179.8°
C14	N10	C09	H5	57.7°	60.7°
C14	N10	C09	H6	62.8°	60.8°
N10	C14	C15	H7	2.6°	0.1°
N10	C14	C19	H11	2.6°	0.0°
C11	N10	C14	C19	6.4°	0.1°
C11	N10	C09	H5	117.9°	119.2°
C11	N10	C09	H6	121.5°	119.2°
C16	C17	C18	H9	180.0°	179.9°
C16	C17	C18	C19	0.8°	0.3°
C17	C16	C15	H7	179.0°	179.9°
C16	C17	C18	H10	179.2°	179.9°
C14	C19	C18	C17	0.9°	0.6°
C14	C19	C18	H11	180.0°	179.7°
C19	C14	C15	H7	177.3°	179.8°
C14	C19	C18	H10	179.1°	179.8°
O03	C02	O01	H1	0.0°	0.1°
C17	C18	C19	H10	180.0°	179.7°
C18	C17	C16	H8	179.3°	179.9°
C17	C18	C19	H11	179.1°	179.7°
C19	C18	C17	H9	179.2°	179.8°
H2	C05	C06	H3	0.0°	0.0°
H3	C06	C07	H4	0.5°	0.1°
H7	C15	C16	H8	1.0°	0.0°
H8	C16	C17	H9	0.7°	0.0°
H9	C17	C18	H10	0.8°	0.1°
H10	C18	C19	H11	0.9°	0.0°

Release date:	2017-02-15
Definition date:	2016-06-21
Last modified:	2017-02-10
Release status:	REL
Processing site:	RCSB
Derived from:	5LCF