6AY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	N02	sing	1.47Å	1.46Å
N02	N03	sing	1.40Å	1.37Å	Aromatic
N02	C19	sing	1.36Å	1.37Å	Aromatic
N03	C04	doub	1.30Å	1.33Å	Aromatic
C19	N18	doub	1.33Å	1.37Å	Aromatic
C19	C05	sing	1.41Å	1.38Å	Aromatic
N18	C17	sing	1.32Å	1.33Å	Aromatic
C04	C05	sing	1.41Å	1.43Å	Aromatic
C05	C06	doub	1.41Å	1.43Å	Aromatic
C17	N16	doub	1.32Å	1.34Å	Aromatic
C06	N16	sing	1.33Å	1.34Å	Aromatic
C06	N07	sing	1.38Å	1.45Å
N07	C08	sing	1.47Å	1.45Å
C10	C11	doub	1.38Å	1.39Å	Aromatic
C10	C09	sing	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C08	C09	sing	1.51Å	1.53Å
C09	C15	doub	1.38Å	1.38Å	Aromatic
C12	CL	sing	1.74Å	1.78Å
C12	C14	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C04	H9	sing	1.08Å	1.08Å
N07	H10	sing	0.97Å	1.00Å
C08	H11	sing	1.09Å	1.10Å
C08	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	N02	N03	125.2°	125.9°
C01	N02	C19	126.2°	125.9°
N02	C01	H6	109.5°	109.4°
N02	C01	H7	109.5°	109.5°
N02	C01	H8	109.4°	109.5°
N03	N02	C19	108.6°	108.3°
N02	N03	C04	109.2°	109.7°
N02	C19	N18	133.2°	134.6°
N02	C19	C05	107.8°	106.6°
N03	C04	C05	107.9°	108.4°
N03	C04	H9	126.1°	125.7°
N18	C19	C05	119.0°	118.8°
C19	N18	C17	121.4°	120.7°
C19	C05	C04	106.6°	107.0°
C19	C05	C06	117.5°	118.3°
N18	C17	N16	121.4°	122.7°
N18	C17	H5	119.3°	118.7°
C04	C05	C06	135.9°	134.7°
C05	C04	H9	126.1°	125.8°
C05	C06	N16	120.5°	118.4°
C05	C06	N07	118.8°	120.8°
C17	N16	C06	120.1°	121.2°
N16	C17	H5	119.3°	118.7°
N16	C06	N07	120.7°	120.8°
C06	N07	C08	117.2°	120.0°
C06	N07	H10	107.5°	120.0°
N07	C08	C09	113.0°	109.5°
C08	N07	H10	107.5°	120.0°
N07	C08	H11	108.6°	109.5°
N07	C08	H12	108.6°	109.5°
C11	C10	C09	119.7°	120.1°
C10	C11	C12	119.9°	119.9°
C11	C10	H1	120.1°	120.0°
C10	C11	H2	120.0°	120.0°
C10	C09	C08	122.0°	120.0°
C10	C09	C15	120.0°	120.0°
C09	C10	H1	120.2°	120.0°
C11	C12	CL	121.5°	119.9°
C11	C12	C14	120.0°	120.0°
C12	C11	H2	120.0°	120.0°
C08	C09	C15	118.0°	120.0°
C09	C08	H11	108.6°	109.4°
C09	C08	H12	108.6°	109.5°
C09	C15	C14	120.3°	120.0°
C09	C15	H4	119.8°	120.0°
CL	C12	C14	118.5°	120.1°
C12	C14	C15	120.0°	120.0°
C12	C14	H3	120.0°	120.0°
C15	C14	H3	120.0°	120.0°
C14	C15	H4	119.9°	120.0°
H6	C01	H7	109.5°	109.5°
H6	C01	H8	109.4°	109.5°
H7	C01	H8	109.5°	109.5°
H11	C08	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	N02	N03	C19	179.8°	179.9°
C01	N02	N03	C04	179.9°	180.0°
C01	N02	C19	N18	0.1°	0.1°
C01	N02	C19	C05	180.0°	179.9°
N02	C01	H6	H7	120.0°	120.0°
N02	C01	H6	H8	120.0°	120.0°
N02	C01	H7	H8	120.0°	120.0°
N03	N02	C19	N18	179.7°	180.0°
N03	N02	C19	C05	0.2°	0.0°
N02	N03	C04	C05	0.2°	0.1°
N03	N02	C01	H6	0.0°	90.0°
N03	N02	C01	H7	120.0°	149.9°
N03	N02	C01	H8	120.0°	29.9°
N02	N03	C04	H9	179.7°	180.0°
C19	N02	N03	C04	0.3°	0.1°
N02	C19	N18	C05	179.9°	180.0°
N02	C19	N18	C17	179.9°	180.0°
N02	C19	C05	C04	0.1°	0.0°
N02	C19	C05	C06	179.9°	179.7°
C19	N02	C01	H6	179.8°	90.1°
C19	N02	C01	H7	59.8°	30.0°
C19	N02	C01	H8	60.3°	150.0°
N03	C04	C05	C19	0.1°	0.0°
N03	C04	C05	H9	180.0°	179.9°
N03	C04	C05	C06	179.9°	179.6°
N18	C19	C05	C04	179.8°	180.0°
N18	C19	C05	C06	0.2°	0.3°
C19	N18	C17	N16	0.4°	0.1°
C19	N18	C17	H5	179.6°	179.8°
C05	C19	N18	C17	0.2°	0.0°
C19	C05	C04	C06	180.0°	179.7°
C19	C05	C06	N16	0.3°	0.5°
C19	C05	C06	N07	179.6°	180.0°
C19	C05	C04	H9	179.9°	180.0°
N18	C17	N16	H5	180.0°	179.8°
N18	C17	N16	C06	0.5°	0.2°
C04	C05	C06	N16	179.7°	179.8°
C04	C05	C06	N07	0.4°	0.3°
C05	C06	N16	C17	0.4°	0.5°
C05	C06	N16	N07	179.9°	179.5°
C05	C06	N07	C08	75.6°	180.0°
C06	C05	C04	H9	0.1°	0.3°
C05	C06	N07	H10	163.3°	0.0°
C17	N16	C06	N07	179.4°	180.0°
N16	C06	N07	C08	104.3°	0.5°
C06	N16	C17	H5	179.5°	180.0°
N16	C06	N07	H10	16.9°	179.5°
C06	N07	C08	H10	121.1°	180.0°
C06	N07	C08	C09	149.6°	180.0°
C06	N07	C08	H11	29.1°	60.0°
C06	N07	C08	H12	89.8°	60.0°
N07	C08	C09	C10	37.8°	90.0°
N07	C08	C09	H11	120.5°	120.0°
N07	C08	C09	H12	120.5°	120.0°
N07	C08	C09	C15	142.4°	90.1°
N07	C08	H11	H12	118.4°	120.0°
C11	C10	C09	H1	180.0°	179.8°
C10	C11	C12	H2	180.0°	180.0°
C11	C10	C09	C08	179.9°	180.0°
C11	C10	C09	C15	0.2°	0.0°
C10	C11	C12	CL	180.0°	180.0°
C10	C11	C12	C14	0.1°	0.1°
C09	C10	C11	C12	0.1°	0.1°
C10	C09	C08	C15	179.8°	180.0°
C10	C09	C15	C14	0.3°	0.0°
C09	C10	C11	H2	179.9°	180.0°
C10	C09	C15	H4	179.7°	180.0°
C10	C09	C08	H11	82.7°	30.0°
C10	C09	C08	H12	158.4°	150.0°
C11	C12	CL	C14	179.8°	179.9°
C11	C12	C14	C15	0.0°	0.1°
C12	C11	C10	H1	179.9°	179.7°
C11	C12	C14	H3	180.0°	179.9°
C08	C09	C15	C14	179.9°	180.0°
C08	C09	C10	H1	0.1°	0.2°
C08	C09	C15	H4	0.1°	0.1°
C09	C08	N07	H10	89.2°	0.0°
C09	C08	H11	H12	118.4°	120.0°
C09	C15	C14	C12	0.3°	0.1°
C09	C15	C14	H4	180.0°	179.9°
C15	C09	C10	H1	179.8°	179.7°
C09	C15	C14	H3	179.8°	180.0°
C15	C09	C08	H11	97.0°	150.0°
C15	C09	C08	H12	21.9°	30.0°
CL	C12	C14	C15	179.8°	180.0°
CL	C12	C11	H2	0.0°	0.0°
CL	C12	C14	H3	0.1°	0.0°
C12	C14	C15	H3	180.0°	180.0°
C14	C12	C11	H2	179.8°	179.9°
C12	C14	C15	H4	179.7°	180.0°
H1	C10	C11	H2	0.1°	0.3°
H3	C14	C15	H4	0.2°	0.0°
H6	C01	H7	H8	120.0°	120.0°
H10	N07	C08	H11	150.3°	120.0°
H10	N07	C08	H12	31.3°	120.0°

Release date:	2017-02-22
Definition date:	2016-02-26
Last modified:	2017-02-17
Release status:	REL
Processing site:	RCSB
Derived from:	5IF7