WOA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C15	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C15	C10	sing	1.39Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C06	C05	sing	1.53Å	1.48Å
C06	N07	sing	1.46Å	1.54Å
C10	N07	sing	1.40Å	1.48Å
C10	C11	doub	1.39Å	1.39Å	Aromatic
C05	C04	sing	1.53Å	1.45Å
C12	C11	sing	1.38Å	1.40Å	Aromatic
N07	C08	sing	1.33Å	1.53Å
C04	C03	sing	1.53Å	1.44Å
C08	C03	sing	1.50Å	1.57Å
C08	O09	doub	1.21Å	1.17Å
C03	N02	sing	1.47Å	1.48Å
N02	C01	sing	1.47Å	1.47Å
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.09Å	1.10Å
C04	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C05	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.09Å	1.10Å
C06	H11	sing	1.09Å	1.10Å
C06	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
N02	H16	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C14	C13	119.7°	120.0°
C14	C15	C10	120.4°	120.0°
C14	C15	H2	119.8°	120.0°
C15	C14	H15	120.2°	120.0°
C14	C13	C12	119.5°	120.1°
C14	C13	H1	120.2°	119.9°
C13	C14	H15	120.1°	120.0°
C15	C10	N07	119.2°	120.1°
C15	C10	C11	120.2°	119.9°
C10	C15	H2	119.8°	120.0°
C13	C12	C11	121.0°	120.1°
C12	C13	H1	120.2°	120.0°
C13	C12	H14	119.5°	120.0°
C05	C06	N07	115.6°	110.5°
C06	C05	C04	113.4°	108.7°
C06	C05	H9	108.5°	109.6°
C06	C05	H10	108.5°	109.7°
C05	C06	H11	107.9°	109.4°
C05	C06	H12	107.9°	109.3°
C06	N07	C10	123.6°	118.0°
C06	N07	C08	117.6°	124.1°
N07	C06	H11	107.9°	109.3°
N07	C06	H12	107.9°	109.2°
N07	C10	C11	120.6°	120.0°
C10	N07	C08	118.8°	118.0°
C10	C11	C12	119.2°	119.9°
C10	C11	H13	120.4°	120.1°
C05	C04	C03	111.3°	108.4°
C05	C04	H7	109.0°	109.7°
C05	C04	H8	109.0°	109.7°
C04	C05	H9	108.5°	109.6°
C04	C05	H10	108.5°	109.6°
C12	C11	H13	120.4°	120.0°
C11	C12	H14	119.5°	119.9°
N07	C08	C03	117.2°	123.6°
N07	C08	O09	121.3°	118.2°
C04	C03	C08	112.3°	109.8°
C04	C03	N02	108.9°	109.4°
C04	C03	H6	110.0°	109.4°
C03	C04	H7	109.1°	109.7°
C03	C04	H8	109.0°	109.7°
C03	C08	O09	121.5°	118.3°
C08	C03	N02	108.1°	109.4°
C08	C03	H6	108.2°	109.4°
C03	N02	C01	113.5°	111.0°
N02	C03	H6	109.3°	109.4°
C03	N02	H16	108.4°	110.9°
N02	C01	H3	109.5°	109.5°
N02	C01	H4	109.5°	109.4°
N02	C01	H5	109.5°	109.5°
C01	N02	H16	108.5°	111.0°
H3	C01	H4	109.5°	109.5°
H3	C01	H5	109.5°	109.4°
H4	C01	H5	109.5°	109.5°
H7	C04	H8	109.4°	109.7°
H9	C05	H10	109.5°	109.5°
H11	C06	H12	109.5°	109.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C14	C13	H15	180.0°	180.0°
C14	C15	C10	H2	180.0°	180.0°
C15	C14	C13	C12	0.0°	0.2°
C14	C15	C10	N07	179.1°	180.0°
C14	C15	C10	C11	1.4°	0.2°
C15	C14	C13	H1	180.0°	180.0°
C13	C14	C15	C10	0.6°	0.0°
C14	C13	C12	H1	180.0°	179.7°
C14	C13	C12	C11	0.3°	0.2°
C13	C14	C15	H2	179.4°	180.0°
C14	C13	C12	H14	179.6°	180.0°
C15	C10	N07	C06	69.1°	89.2°
C15	C10	N07	C11	177.7°	179.8°
C15	C10	C11	C12	1.7°	0.2°
C15	C10	N07	C08	109.7°	90.7°
C15	C10	C11	H13	178.4°	179.7°
C10	C15	C14	H15	179.4°	179.9°
C13	C12	C11	C10	1.1°	0.0°
C13	C12	C11	H14	180.0°	179.8°
C13	C12	C11	H13	178.9°	179.9°
C12	C13	C14	H15	180.0°	179.7°
C05	C06	N07	H11	120.9°	120.4°
C05	C06	N07	H12	120.9°	120.3°
C05	C06	N07	C10	174.8°	160.9°
C06	C05	C04	H9	120.6°	119.8°
C06	C05	C04	H10	120.6°	120.0°
C05	C06	N07	C08	6.3°	19.2°
C06	C05	C04	C03	66.8°	67.5°
C06	C05	C04	H7	53.5°	172.7°
C06	C05	C04	H8	172.9°	52.2°
C06	C05	H9	H10	118.2°	120.4°
C05	C06	H11	H12	117.2°	119.6°
C06	N07	C10	C08	178.8°	179.9°
C06	N07	C10	C11	113.1°	91.0°
N07	C06	C05	C04	38.7°	50.8°
C06	N07	C08	C03	0.4°	2.4°
C06	N07	C08	O09	179.5°	177.7°
N07	C06	C05	H9	159.3°	69.0°
N07	C06	C05	H10	81.9°	170.7°
N07	C06	H11	H12	117.2°	119.4°
N07	C10	C11	C12	179.4°	180.0°
C10	N07	C08	C03	178.5°	177.7°
C10	N07	C08	O09	0.6°	2.2°
N07	C10	C15	H2	0.9°	0.0°
C10	N07	C06	H11	53.9°	40.6°
C10	N07	C06	H12	64.3°	78.7°
N07	C10	C11	H13	0.7°	0.0°
C10	C11	C12	H13	180.0°	180.0°
C11	C10	N07	C08	68.0°	89.1°
C11	C10	C15	H2	178.6°	179.8°
C10	C11	C12	H14	178.8°	179.8°
C05	C04	C03	H7	120.3°	119.7°
C05	C04	C03	H8	120.3°	119.8°
C05	C04	C03	C08	57.8°	48.9°
C05	C04	C03	N02	177.4°	169.0°
C05	C04	C03	H6	62.8°	71.2°
C05	C04	H7	H8	119.1°	120.6°
C04	C05	H9	H10	118.2°	120.3°
C04	C05	C06	H11	159.6°	171.1°
C04	C05	C06	H12	82.2°	69.5°
C11	C12	C13	H1	179.7°	179.9°
N07	C08	C03	C04	24.7°	17.7°
N07	C08	C03	O09	179.1°	179.9°
N07	C08	C03	N02	144.8°	137.8°
N07	C08	C03	H6	96.9°	102.4°
C08	N07	C06	H11	127.2°	139.5°
C08	N07	C06	H12	114.5°	101.2°
C04	C03	C08	N02	120.1°	120.1°
C04	C03	C08	H6	121.6°	120.1°
C04	C03	C08	O09	154.4°	162.3°
C04	C03	N02	H6	120.2°	119.9°
C04	C03	N02	C01	111.7°	154.8°
C03	C04	H7	H8	119.2°	120.5°
C03	C04	C05	H9	172.6°	52.2°
C03	C04	C05	H10	53.8°	172.5°
C04	C03	N02	H16	127.7°	81.2°
C08	C03	N02	H6	117.6°	119.8°
C08	C03	N02	C01	126.1°	84.8°
C08	C03	C04	H7	62.5°	168.7°
C08	C03	C04	H8	178.1°	70.8°
C08	C03	N02	H16	5.5°	39.1°
O09	C08	C03	N02	34.3°	42.3°
O09	C08	C03	H6	84.0°	77.5°
C03	N02	C01	H16	120.6°	123.9°
C03	N02	C01	H3	180.0°	180.0°
C03	N02	C01	H4	60.0°	60.0°
C03	N02	C01	H5	60.0°	60.0°
N02	C03	C04	H7	57.1°	71.2°
N02	C03	C04	H8	62.3°	49.3°
N02	C01	H3	H4	120.0°	120.0°
N02	C01	H3	H5	120.0°	120.0°
N02	C01	H4	H5	120.0°	120.0°
C01	N02	C03	H6	8.5°	35.0°
H1	C13	C12	H14	0.4°	0.3°
H1	C13	C14	H15	0.1°	0.0°
H2	C15	C14	H15	0.6°	0.0°
H3	C01	H4	H5	120.0°	120.0°
H3	C01	N02	H16	59.4°	56.1°
H4	C01	N02	H16	179.4°	176.1°
H5	C01	N02	H16	60.6°	63.9°
H6	C03	C04	H7	176.9°	48.6°
H6	C03	C04	H8	57.5°	169.1°
H6	C03	N02	H16	112.1°	158.9°
H7	C04	C05	H9	67.1°	67.5°
H7	C04	C05	H10	174.0°	52.8°
H8	C04	C05	H9	52.3°	172.0°
H8	C04	C05	H10	66.5°	67.8°
H9	C05	C06	H11	79.8°	51.3°
H9	C05	C06	H12	38.4°	170.7°
H10	C05	C06	H11	39.0°	69.0°
H10	C05	C06	H12	157.2°	50.4°
H13	C11	C12	H14	1.1°	0.3°

Release date:	2020-11-11
Definition date:	2020-10-30
Last modified:	2020-11-06
Release status:	REL
Processing site:	RCSB
Derived from:	5RYH