YP6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C17	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.39Å	1.38Å	Aromatic
C17	C18	sing	1.39Å	1.38Å	Aromatic
C21	S22	sing	1.76Å	1.73Å	Aromatic
C21	C14	doub	1.35Å	1.38Å	Aromatic
S22	C12	sing	1.76Å	1.73Å	Aromatic
C14	C15	sing	1.48Å	1.39Å
C14	N13	sing	1.33Å	1.32Å	Aromatic
C15	N20	doub	1.33Å	1.32Å	Aromatic
C18	C19	doub	1.38Å	1.38Å	Aromatic
C12	N13	doub	1.30Å	1.32Å	Aromatic
C12	N11	sing	1.39Å	1.46Å
C02	C01	doub	1.38Å	1.38Å	Aromatic
C02	C03	sing	1.39Å	1.38Å	Aromatic
N20	C19	sing	1.32Å	1.33Å	Aromatic
C09	O08	sing	1.43Å	1.40Å
C09	C10	sing	1.51Å	1.52Å
O08	C03	sing	1.36Å	1.40Å
C01	C06	sing	1.38Å	1.38Å	Aromatic
C03	C04	doub	1.39Å	1.39Å	Aromatic
N11	C10	sing	1.35Å	1.46Å
C10	O23	doub	1.21Å	1.18Å
C06	C05	doub	1.38Å	1.38Å	Aromatic
C04	C05	sing	1.38Å	1.39Å	Aromatic
C05	F07	sing	1.35Å	1.36Å
C17	H1	sing	1.08Å	1.08Å
C21	H2	sing	1.08Å	1.08Å
C01	H3	sing	1.08Å	1.08Å
C02	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C06	H6	sing	1.08Å	1.08Å
C09	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
N11	H9	sing	0.97Å	1.00Å
C16	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C16	C15	119.2°	119.0°
C16	C17	C18	118.6°	118.5°
C16	C17	H1	120.7°	120.8°
C17	C16	H10	120.4°	120.4°
C16	C15	C14	118.8°	119.7°
C16	C15	N20	120.9°	120.6°
C15	C16	H10	120.4°	120.5°
C17	C18	C19	119.0°	119.4°
C18	C17	H1	120.7°	120.7°
C17	C18	H11	120.5°	120.3°
S22	C21	C14	104.7°	108.2°
C21	S22	C12	95.6°	90.0°
S22	C21	H2	127.7°	125.8°
C21	C14	C15	121.3°	122.3°
C21	C14	N13	115.9°	115.3°
C14	C21	H2	127.7°	125.9°
S22	C12	N13	105.4°	109.4°
S22	C12	N11	130.4°	125.3°
C15	C14	N13	122.8°	122.3°
C14	C15	N20	120.3°	119.7°
C14	N13	C12	118.4°	117.0°
C15	N20	C19	121.3°	121.5°
C18	C19	N20	121.0°	120.9°
C19	C18	H11	120.5°	120.3°
C18	C19	H12	119.5°	119.6°
N13	C12	N11	124.1°	125.3°
C12	N11	C10	130.4°	120.0°
C12	N11	H9	114.8°	120.0°
C01	C02	C03	119.8°	120.0°
C02	C01	C06	120.9°	120.1°
C02	C01	H3	119.6°	120.0°
C01	C02	H4	120.1°	120.0°
C02	C03	O08	117.9°	120.1°
C02	C03	C04	119.9°	119.9°
C03	C02	H4	120.1°	120.0°
N20	C19	H12	119.5°	119.5°
O08	C09	C10	106.1°	109.5°
C09	O08	C03	116.6°	117.0°
O08	C09	H7	110.3°	109.5°
O08	C09	H8	110.3°	109.5°
C09	C10	N11	126.1°	120.0°
C09	C10	O23	116.5°	120.0°
C10	C09	H7	110.3°	109.5°
C10	C09	H8	110.3°	109.4°
O08	C03	C04	122.3°	120.0°
C01	C06	C05	119.5°	120.1°
C06	C01	H3	119.6°	119.9°
C01	C06	H6	120.2°	120.0°
C03	C04	C05	119.9°	119.9°
C03	C04	H5	120.0°	120.1°
N11	C10	O23	117.5°	120.0°
C10	N11	H9	114.8°	120.0°
C06	C05	C04	120.0°	120.0°
C06	C05	F07	118.6°	120.0°
C05	C06	H6	120.3°	119.9°
C04	C05	F07	121.4°	120.0°
C05	C04	H5	120.0°	120.0°
H7	C09	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C16	C15	H10	180.0°	180.0°
C16	C17	C18	H1	180.0°	179.8°
C17	C16	C15	C14	179.6°	179.7°
C17	C16	C15	N20	0.6°	0.0°
C16	C17	C18	C19	0.2°	0.2°
C16	C17	C18	H11	179.9°	179.8°
C15	C16	C17	C18	0.4°	0.0°
C16	C15	C14	C21	10.0°	179.8°
C16	C15	C14	N20	179.8°	179.7°
C16	C15	C14	N13	170.4°	0.3°
C16	C15	N20	C19	0.4°	0.4°
C15	C16	C17	H1	179.6°	179.8°
C17	C18	C19	H11	180.0°	180.0°
C17	C18	C19	N20	0.0°	0.6°
C18	C17	C16	H10	179.6°	180.0°
C17	C18	C19	H12	180.0°	180.0°
S22	C21	C14	H2	180.0°	179.8°
S22	C21	C14	C15	179.8°	180.0°
S22	C21	C14	N13	0.2°	0.0°
C21	S22	C12	N13	0.0°	0.0°
C21	S22	C12	N11	179.7°	179.9°
C14	C21	S22	C12	0.1°	0.0°
C21	C14	C15	N13	179.6°	179.9°
C21	C14	C15	N20	170.2°	0.1°
C21	C14	N13	C12	0.2°	0.0°
S22	C12	N13	C14	0.1°	0.0°
S22	C12	N13	N11	179.7°	179.9°
S22	C12	N11	C10	16.1°	0.1°
C12	S22	C21	H2	179.9°	179.7°
S22	C12	N11	H9	163.8°	180.0°
C15	C14	N13	C12	179.8°	180.0°
C14	C15	N20	C19	179.8°	180.0°
C15	C14	C21	H2	0.3°	0.2°
C14	C15	C16	H10	0.4°	0.3°
N13	C14	C15	N20	9.4°	180.0°
C14	N13	C12	N11	179.7°	179.9°
N13	C14	C21	H2	179.8°	179.7°
C15	N20	C19	C18	0.1°	0.6°
N20	C15	C16	H10	179.5°	179.9°
C15	N20	C19	H12	179.9°	179.9°
C18	C19	N20	H12	180.0°	179.4°
C19	C18	C17	H1	179.9°	179.9°
N13	C12	N11	C10	164.2°	180.0°
N13	C12	N11	H9	15.9°	0.1°
C12	N11	C10	C09	0.7°	179.8°
C12	N11	C10	H9	180.0°	179.9°
C12	N11	C10	O23	179.7°	0.1°
C01	C02	C03	H4	180.0°	180.0°
C01	C02	C03	O08	179.7°	180.0°
C02	C01	C06	H3	180.0°	179.7°
C01	C02	C03	C04	0.4°	0.0°
C02	C01	C06	C05	0.2°	0.0°
C02	C01	C06	H6	179.7°	179.7°
C02	C03	O08	C09	91.7°	180.0°
C02	C03	O08	C04	179.3°	180.0°
C03	C02	C01	C06	0.4°	0.0°
C02	C03	C04	C05	0.4°	0.0°
C03	C02	C01	H3	179.6°	179.7°
C02	C03	C04	H5	179.7°	180.0°
N20	C19	C18	H11	179.9°	179.4°
O08	C09	C10	H7	119.5°	120.0°
O08	C09	C10	H8	119.4°	120.0°
C09	O08	C03	C04	89.1°	0.0°
O08	C09	C10	N11	144.9°	179.7°
O08	C09	C10	O23	34.7°	0.0°
O08	C09	H7	H8	121.6°	120.0°
C10	C09	O08	C03	106.3°	180.0°
C09	C10	N11	O23	179.6°	179.7°
C10	C09	H7	H8	121.6°	120.0°
C09	C10	N11	H9	179.3°	0.4°
O08	C03	C04	C05	179.6°	180.0°
O08	C03	C02	H4	0.3°	0.0°
O08	C03	C04	H5	0.4°	0.0°
C03	O08	C09	H7	134.3°	60.0°
C03	O08	C09	H8	13.2°	60.1°
C01	C06	C05	H6	180.0°	179.8°
C01	C06	C05	C04	0.2°	0.1°
C01	C06	C05	F07	179.9°	180.0°
C06	C01	C02	H4	179.6°	180.0°
C03	C04	C05	C06	0.2°	0.1°
C03	C04	C05	H5	180.0°	179.9°
C03	C04	C05	F07	179.8°	180.0°
C04	C03	C02	H4	179.6°	180.0°
N11	C10	C09	H7	25.4°	59.7°
N11	C10	C09	H8	95.7°	60.3°
O23	C10	C09	H7	154.2°	120.0°
O23	C10	C09	H8	84.7°	120.0°
O23	C10	N11	H9	0.4°	179.9°
C06	C05	C04	F07	179.9°	179.9°
C05	C06	C01	H3	179.8°	179.8°
C06	C05	C04	H5	179.8°	180.0°
C04	C05	C06	H6	179.8°	179.7°
F07	C05	C04	H5	0.1°	0.1°
F07	C05	C06	H6	0.1°	0.2°
H1	C17	C16	H10	0.4°	0.2°
H1	C17	C18	H11	0.1°	0.1°
H3	C01	C02	H4	0.4°	0.3°
H3	C01	C06	H6	0.3°	0.0°
H11	C18	C19	H12	0.1°	0.0°

Release date:	2017-10-25
Definition date:	2017-01-27
Last modified:	2017-10-20
Release status:	REL
Processing site:	EBI
Derived from:	5MYS