Y0M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	S	doub	1.42Å	1.65Å
S	O6	doub	1.42Å	1.65Å
S	C	sing	1.76Å	1.79Å
C1	C	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C	C11	sing	1.39Å	1.42Å	Aromatic
C2	C3	doub	1.38Å	1.39Å	Aromatic
C11	O4	sing	1.36Å	1.42Å
C11	C10	doub	1.39Å	1.37Å	Aromatic
O4	C12	sing	1.43Å	1.39Å
C8	C9	doub	1.39Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.39Å	Aromatic
C3	C10	sing	1.39Å	1.41Å	Aromatic
C3	S1	sing	1.76Å	1.79Å
C9	C4	sing	1.39Å	1.39Å	Aromatic
C10	O5	sing	1.36Å	1.43Å
C7	N1	doub	1.32Å	1.32Å	Aromatic
C12	C13	sing	1.53Å	1.52Å
O3	S1	doub	1.42Å	1.63Å
S1	N	sing	1.66Å	1.70Å
S1	O1	doub	1.42Å	1.64Å
C4	N	sing	1.40Å	1.45Å
C4	C5	doub	1.39Å	1.37Å	Aromatic
O5	C13	sing	1.43Å	1.40Å
N1	C5	sing	1.32Å	1.32Å	Aromatic
C5	O2	sing	1.36Å	1.40Å
O2	C6	sing	1.43Å	1.40Å
C6	H63	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C7	H71	sing	1.08Å	1.08Å
C8	H81	sing	1.08Å	1.08Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
N	HN1	sing	0.97Å	1.00Å
C1	H11	sing	1.08Å	1.08Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C2	H21	sing	1.08Å	1.08Å
C9	H91	sing	1.08Å	1.08Å
S	F1	sing	1.61Å	1.61Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	S	O6	113.6°	123.2°
O	S	C	110.6°	106.4°
O	S	F1	112.0°	106.4°
O6	S	C	111.8°	106.4°
O6	S	F1	108.8°	106.4°
S	C	C1	118.0°	119.9°
S	C	C11	119.5°	120.0°
C	S	F1	99.1°	107.2°
C	C1	C2	118.6°	120.1°
C1	C	C11	122.5°	120.0°
C	C1	H11	120.7°	120.0°
C1	C2	C3	118.9°	120.1°
C2	C1	H11	120.7°	119.9°
C1	C2	H21	120.5°	120.0°
C	C11	O4	120.3°	119.3°
C	C11	C10	118.9°	119.9°
C2	C3	C10	122.8°	120.1°
C2	C3	S1	117.7°	120.0°
C3	C2	H21	120.6°	119.9°
O4	C11	C10	120.8°	120.8°
C11	O4	C12	112.0°	116.7°
C11	C10	C3	118.3°	119.8°
C11	C10	O5	122.9°	120.8°
O4	C12	C13	113.7°	108.2°
O4	C12	H121	108.4°	109.7°
O4	C12	H122	108.4°	109.7°
C9	C8	C7	118.4°	119.4°
C8	C9	C4	117.5°	118.4°
C9	C8	H81	120.8°	120.3°
C8	C9	H91	121.2°	120.8°
C8	C7	N1	122.0°	121.0°
C8	C7	H71	119.0°	119.5°
C7	C8	H81	120.8°	120.3°
C10	C3	S1	119.5°	120.0°
C3	C10	O5	118.8°	119.4°
C3	S1	O3	107.1°	106.4°
C3	S1	N	106.9°	107.2°
C3	S1	O1	111.5°	106.4°
C9	C4	N	124.0°	120.5°
C9	C4	C5	120.5°	119.0°
C4	C9	H91	121.2°	120.8°
C10	O5	C13	115.3°	116.7°
C7	N1	C5	120.7°	121.7°
N1	C7	H71	119.0°	119.5°
C12	C13	O5	114.0°	108.2°
C12	C13	H132	108.3°	109.7°
C12	C13	H131	108.3°	109.7°
C13	C12	H121	108.4°	109.7°
C13	C12	H122	108.4°	109.7°
O3	S1	N	110.1°	106.4°
O3	S1	O1	110.5°	123.2°
N	S1	O1	110.5°	106.4°
S1	N	C4	120.8°	120.0°
S1	N	HN1	106.6°	119.9°
N	C4	C5	115.5°	120.5°
C4	N	HN1	106.6°	120.1°
C4	C5	N1	120.8°	120.6°
C4	C5	O2	116.8°	119.7°
O5	C13	H132	108.3°	109.7°
O5	C13	H131	108.3°	109.7°
N1	C5	O2	122.4°	119.7°
C5	O2	C6	114.5°	117.0°
O2	C6	H63	109.5°	109.5°
O2	C6	H62	109.5°	109.4°
O2	C6	H61	109.5°	109.5°
H63	C6	H62	109.5°	109.4°
H63	C6	H61	109.4°	109.5°
H62	C6	H61	109.5°	109.5°
H132	C13	H131	109.5°	109.7°
H121	C12	H122	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	S	O6	C	126.1°	123.0°
O	S	O6	F1	125.5°	123.0°
O	S	C	F1	117.8°	113.5°
O	S	C	C1	22.0°	90.0°
O	S	C	C11	159.9°	89.9°
O6	S	C	F1	114.6°	113.5°
O6	S	C	C1	149.6°	43.0°
O6	S	C	C11	32.2°	137.1°
S	C	C1	C11	178.1°	179.9°
S	C	C1	C2	179.1°	179.9°
S	C	C11	O4	1.6°	0.1°
S	C	C11	C10	179.0°	180.0°
S	C	C1	H11	0.9°	0.0°
C	C1	C2	H11	180.0°	179.9°
C	C1	C2	C3	0.5°	0.1°
C1	C	C11	O4	179.7°	179.8°
C1	C	C11	C10	1.0°	0.1°
C	C1	C2	H21	179.5°	179.9°
C1	C	S	F1	95.8°	156.5°
C2	C1	C	C11	1.1°	0.2°
C1	C2	C3	H21	180.0°	179.8°
C1	C2	C3	C10	0.1°	0.0°
C1	C2	C3	S1	179.1°	180.0°
C	C11	O4	C10	179.4°	179.9°
C	C11	O4	C12	155.0°	162.9°
C	C11	C10	C3	0.3°	0.0°
C	C11	C10	O5	179.4°	179.8°
C11	C	C1	H11	178.9°	180.0°
C11	C	S	F1	82.3°	23.5°
C2	C3	C10	C11	0.3°	0.0°
C2	C3	C10	S1	178.9°	180.0°
C2	C3	C10	O5	180.0°	179.9°
C2	C3	S1	O3	7.1°	130.0°
C2	C3	S1	N	110.9°	116.5°
C2	C3	S1	O1	128.2°	3.0°
C3	C2	C1	H11	179.5°	180.0°
O4	C11	C10	C3	179.6°	179.9°
O4	C11	C10	O5	0.0°	0.3°
C11	O4	C12	C13	49.1°	46.2°
C11	O4	C12	H121	71.5°	73.5°
C11	O4	C12	H122	169.7°	165.9°
C10	C11	O4	C12	24.4°	17.2°
C11	C10	C3	O5	179.7°	179.8°
C11	C10	C3	S1	179.2°	179.9°
C11	C10	O5	C13	2.1°	17.2°
O4	C12	C13	H121	120.6°	119.7°
O4	C12	C13	H122	120.6°	119.7°
O4	C12	C13	O5	52.4°	59.8°
O4	C12	C13	H132	173.1°	59.9°
O4	C12	C13	H131	68.2°	179.5°
O4	C12	H121	H122	118.1°	120.6°
C9	C8	C7	H81	180.0°	180.0°
C8	C9	C4	H91	180.0°	179.9°
C9	C8	C7	N1	0.1°	0.0°
C8	C9	C4	N	179.9°	180.0°
C8	C9	C4	C5	0.2°	0.0°
C9	C8	C7	H71	179.9°	179.9°
C7	C8	C9	C4	0.1°	0.0°
C8	C7	N1	H71	180.0°	179.9°
C8	C7	N1	C5	0.2°	0.0°
C7	C8	C9	H91	179.9°	180.0°
C10	C3	S1	O3	173.9°	50.0°
C10	C3	S1	N	68.1°	63.5°
C10	C3	S1	O1	52.9°	177.0°
C3	C10	O5	C13	178.2°	163.0°
C10	C3	C2	H21	179.8°	179.8°
S1	C3	C10	O5	1.1°	0.1°
C3	S1	O3	N	115.9°	114.1°
C3	S1	O3	O1	121.7°	123.0°
C3	S1	N	O1	121.6°	113.5°
C3	S1	N	C4	72.8°	67.7°
C3	S1	N	HN1	165.6°	112.3°
S1	C3	C2	H21	0.9°	0.2°
C9	C4	N	S1	28.4°	35.3°
C9	C4	N	C5	179.7°	179.9°
C9	C4	C5	N1	0.1°	0.1°
C9	C4	C5	O2	179.8°	180.0°
C4	C9	C8	H81	179.9°	180.0°
C9	C4	N	HN1	150.0°	144.7°
C10	O5	C13	C12	26.7°	46.2°
C10	O5	C13	H132	147.3°	73.5°
C10	O5	C13	H131	94.0°	165.9°
C7	N1	C5	C4	0.1°	0.1°
C7	N1	C5	O2	180.0°	180.0°
N1	C7	C8	H81	179.9°	180.0°
C12	C13	O5	H132	120.7°	119.7°
C12	C13	O5	H131	120.7°	119.7°
C12	C13	H132	H131	117.9°	120.6°
C13	C12	H121	H122	118.1°	120.6°
O3	S1	N	O1	122.4°	132.9°
O3	S1	N	C4	43.1°	178.8°
O3	S1	N	HN1	78.4°	1.2°
S1	N	C4	HN1	121.6°	180.0°
S1	N	C4	C5	151.9°	144.8°
O1	S1	N	C4	165.6°	45.9°
O1	S1	N	HN1	44.0°	134.1°
N	C4	C5	N1	179.8°	180.0°
N	C4	C5	O2	0.2°	0.1°
N	C4	C9	H91	0.1°	0.1°
C4	C5	N1	O2	180.0°	179.9°
C4	C5	O2	C6	174.5°	180.0°
C5	C4	N	HN1	30.3°	35.2°
C5	C4	C9	H91	179.8°	180.0°
O5	C13	H132	H131	117.9°	120.6°
O5	C13	C12	H121	68.2°	59.9°
O5	C13	C12	H122	173.1°	179.5°
N1	C5	O2	C6	5.4°	0.1°
C5	N1	C7	H71	179.8°	180.0°
C5	O2	C6	H63	180.0°	180.0°
C5	O2	C6	H62	60.0°	60.0°
C5	O2	C6	H61	60.0°	60.0°
O2	C6	H63	H62	120.0°	119.9°
O2	C6	H63	H61	120.0°	120.0°
O2	C6	H62	H61	120.0°	120.0°
H63	C6	H62	H61	119.9°	120.0°
H71	C7	C8	H81	0.1°	0.1°
H81	C8	C9	H91	0.1°	0.1°
H132	C13	C12	H121	52.5°	179.6°
H132	C13	C12	H122	66.2°	59.7°
H131	C13	C12	H121	171.2°	59.8°
H131	C13	C12	H122	52.4°	60.8°
H11	C1	C2	H21	0.5°	0.2°

Release date:	2023-12-06
Definition date:	2022-12-20
Last modified:	2023-12-01
Release status:	REL
Processing site:	RCSB
Derived from:	8FJI