YLI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
BR24	C21	sing	1.89Å	1.90Å
C21	C22	doub	1.38Å	1.38Å	Aromatic
C21	C20	sing	1.38Å	1.38Å	Aromatic
C22	C23	sing	1.38Å	1.38Å	Aromatic
C20	C19	doub	1.38Å	1.38Å	Aromatic
C23	C18	doub	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.39Å	Aromatic
C18	C6	sing	1.51Å	1.51Å
C1	C5	sing	1.55Å	1.54Å
C1	C2	sing	1.51Å	1.49Å
C6	N7	sing	1.45Å	1.45Å
C6	C5	sing	1.51Å	1.53Å
N7	C8	sing	1.39Å	1.38Å
C5	C4	sing	1.53Å	1.55Å
C2	C3	doub	1.31Å	1.33Å
C8	C13	doub	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.39Å	1.40Å	Aromatic
C4	C3	sing	1.51Å	1.51Å
C4	C9	sing	1.49Å	1.52Å
C13	C12	sing	1.38Å	1.38Å	Aromatic
C9	C10	doub	1.39Å	1.39Å	Aromatic
C12	C11	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C11	S14	sing	1.76Å	1.76Å
S14	O16	doub	1.42Å	1.43Å
S14	O15	doub	1.42Å	1.43Å
S14	N17	sing	1.66Å	1.60Å
C1	H1B	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
N17	H17B	sing	0.97Å	1.00Å
N17	H17A	sing	0.97Å	1.00Å
N7	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
BR24	C21	C22	119.4°	120.0°
BR24	C21	C20	119.4°	120.0°
C22	C21	C20	121.3°	120.0°
C21	C22	C23	119.0°	120.0°
C21	C22	H22	120.5°	120.0°
C21	C20	C19	119.1°	120.0°
C21	C20	H20	120.5°	120.0°
C22	C23	C18	121.2°	120.0°
C23	C22	H22	120.5°	120.0°
C22	C23	H23	119.4°	120.0°
C20	C19	C18	121.1°	120.0°
C20	C19	H19	119.5°	120.0°
C19	C20	H20	120.5°	120.0°
C23	C18	C19	118.4°	120.0°
C23	C18	C6	120.5°	120.0°
C18	C23	H23	119.4°	120.0°
C19	C18	C6	121.0°	120.0°
C18	C19	H19	119.4°	120.0°
C18	C6	N7	110.8°	108.5°
C18	C6	C5	111.9°	108.5°
C18	C6	H6	108.5°	108.5°
C5	C1	C2	101.4°	104.1°
C1	C5	C6	119.1°	108.0°
C1	C5	C4	104.4°	100.6°
C5	C1	H1B	111.4°	110.5°
C5	C1	H1A	111.5°	110.5°
C1	C5	H5	108.1°	111.2°
C1	C2	C3	112.3°	110.9°
C2	C1	H1B	111.4°	110.5°
C2	C1	H1A	111.4°	110.5°
C1	C2	H2	123.9°	124.5°
N7	C6	C5	108.2°	114.3°
C6	N7	C8	114.2°	123.4°
N7	C6	H6	109.2°	108.3°
C6	N7	H7	108.3°	118.4°
C6	C5	C4	108.3°	113.8°
C6	C5	H5	108.3°	111.5°
C5	C6	H6	108.2°	108.5°
N7	C8	C13	120.0°	119.5°
N7	C8	C9	120.0°	120.3°
C8	N7	H7	108.3°	118.3°
C5	C4	C3	101.6°	105.5°
C5	C4	C9	113.9°	114.5°
C5	C4	H4	109.0°	107.8°
C4	C5	H5	108.1°	111.1°
C2	C3	C4	111.1°	110.3°
C3	C2	H2	123.9°	124.6°
C2	C3	H3	124.4°	124.9°
C13	C8	C9	120.0°	120.2°
C8	C13	C12	120.6°	120.2°
C8	C13	H13	119.7°	119.9°
C8	C9	C4	121.1°	121.7°
C8	C9	C10	118.6°	119.1°
C3	C4	C9	113.2°	112.1°
C4	C3	H3	124.4°	124.9°
C3	C4	H4	109.5°	108.3°
C4	C9	C10	120.2°	119.1°
C9	C4	H4	109.4°	108.4°
C13	C12	C11	119.2°	119.8°
C13	C12	H12	120.4°	120.1°
C12	C13	H13	119.7°	119.9°
C9	C10	C11	120.8°	120.6°
C9	C10	H10	119.6°	119.6°
C12	C11	C10	120.7°	120.2°
C12	C11	S14	119.9°	119.9°
C11	C12	H12	120.4°	120.1°
C10	C11	S14	119.4°	119.9°
C11	C10	H10	119.6°	119.8°
C11	S14	O16	107.3°	106.4°
C11	S14	O15	107.4°	106.4°
C11	S14	N17	108.3°	107.2°
O16	S14	O15	118.8°	123.2°
O16	S14	N17	107.3°	106.4°
O15	S14	N17	107.4°	106.4°
S14	N17	H17B	109.5°	120.1°
S14	N17	H17A	109.4°	120.0°
H1B	C1	H1A	109.5°	110.6°
H17B	N17	H17A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
BR24	C21	C22	C20	179.2°	179.6°
BR24	C21	C22	C23	179.2°	180.0°
BR24	C21	C20	C19	179.2°	179.7°
BR24	C21	C20	H20	0.8°	0.3°
BR24	C21	C22	H22	0.8°	0.3°
C21	C22	C23	H22	180.0°	179.7°
C22	C21	C20	C19	0.0°	0.1°
C21	C22	C23	C18	0.1°	0.6°
C22	C21	C20	H20	180.0°	179.9°
C21	C22	C23	H23	180.0°	180.0°
C20	C21	C22	C23	0.0°	0.3°
C21	C20	C19	H20	180.0°	180.0°
C21	C20	C19	C18	0.1°	0.1°
C21	C20	C19	H19	179.9°	180.0°
C20	C21	C22	H22	180.0°	179.9°
C22	C23	C18	H23	180.0°	179.4°
C22	C23	C18	C19	0.2°	0.6°
C22	C23	C18	C6	177.7°	179.8°
C20	C19	C18	C23	0.2°	0.3°
C20	C19	C18	H19	180.0°	179.9°
C20	C19	C18	C6	177.6°	180.0°
C23	C18	C19	C6	177.8°	179.6°
C23	C18	C6	N7	48.5°	40.3°
C23	C18	C6	C5	72.4°	84.4°
C23	C18	C19	H19	179.8°	179.7°
C18	C23	C22	H22	179.9°	179.7°
C23	C18	C6	H6	168.3°	157.8°
C19	C18	C6	N7	133.8°	140.0°
C19	C18	C6	C5	105.4°	95.2°
C18	C19	C20	H20	179.9°	179.9°
C19	C18	C23	H23	179.8°	180.0°
C19	C18	C6	H6	13.9°	22.5°
C18	C6	C5	C1	65.6°	28.5°
C18	C6	N7	C5	123.0°	121.3°
C18	C6	N7	H6	119.4°	117.6°
C18	C6	C5	H6	119.4°	117.7°
C18	C6	N7	C8	173.7°	98.8°
C18	C6	C5	C4	175.4°	82.3°
C6	C18	C19	H19	2.4°	0.1°
C6	C18	C23	H23	2.3°	0.3°
C18	C6	C5	H5	58.4°	151.1°
C18	C6	N7	H7	53.0°	81.2°
C5	C1	C2	H1B	118.7°	118.7°
C5	C1	C2	H1A	118.7°	118.6°
C1	C5	C6	N7	56.8°	149.8°
C1	C5	C6	C4	119.0°	110.8°
C1	C5	C6	H5	124.0°	122.5°
C1	C5	C4	H5	115.0°	117.8°
C5	C1	C2	C3	21.5°	17.9°
C1	C5	C4	C3	27.3°	27.6°
C1	C5	C4	C9	94.8°	151.3°
C5	C1	H1B	H1A	123.8°	122.7°
C5	C1	C2	H2	158.6°	162.2°
C1	C5	C4	H4	142.8°	88.0°
C1	C5	C6	H6	175.0°	89.2°
C2	C1	C5	C6	150.4°	92.4°
C2	C1	C5	C4	29.4°	27.2°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	4.1°	0.2°
C2	C1	H1B	H1A	123.7°	122.6°
C1	C2	C3	H3	175.9°	179.8°
C2	C1	C5	H5	85.5°	144.9°
N7	C6	C5	H6	118.2°	121.0°
C6	N7	C8	H7	120.7°	180.0°
N7	C6	C5	C4	62.2°	39.0°
C6	N7	C8	C13	149.9°	177.9°
C6	N7	C8	C9	31.6°	1.3°
N7	C6	C5	H5	179.2°	87.7°
C5	C6	N7	C8	63.3°	22.5°
C6	C5	C4	H5	117.1°	126.9°
C6	C5	C4	C3	155.2°	87.7°
C6	C5	C4	C9	33.1°	36.0°
C6	C5	C1	H1B	31.7°	148.9°
C6	C5	C1	H1A	90.9°	26.2°
C6	C5	C4	H4	89.3°	156.7°
C5	C6	N7	H7	176.0°	157.6°
N7	C8	C13	C9	178.4°	179.2°
N7	C8	C9	C4	0.8°	1.9°
N7	C8	C13	C12	178.4°	178.4°
N7	C8	C9	C10	178.3°	178.2°
N7	C8	C13	H13	1.6°	1.6°
C8	N7	C6	H6	54.3°	143.6°
C5	C4	C3	C2	15.1°	18.7°
C5	C4	C9	C8	3.1°	16.2°
C5	C4	C3	C9	122.5°	125.3°
C5	C4	C3	H4	115.1°	115.2°
C5	C4	C9	H4	122.2°	120.4°
C5	C4	C9	C10	176.0°	163.7°
C4	C5	C1	H1B	89.3°	91.5°
C4	C5	C1	H1A	148.1°	145.8°
C5	C4	C3	H3	164.9°	161.3°
C4	C5	C6	H6	56.0°	160.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C9	107.5°	143.9°
C3	C2	C1	H1B	97.2°	100.8°
C3	C2	C1	H1A	140.2°	136.5°
C2	C3	C4	H4	130.2°	96.5°
C13	C8	C9	C4	179.2°	178.9°
C8	C13	C12	H13	180.0°	180.0°
C13	C8	C9	C10	0.1°	1.0°
C8	C13	C12	C11	0.1°	0.1°
C8	C13	C12	H12	179.9°	179.9°
C13	C8	N7	H7	29.2°	2.1°
C8	C9	C4	C3	118.5°	103.9°
C8	C9	C4	C10	179.1°	179.9°
C9	C8	C13	C12	0.1°	0.8°
C8	C9	C10	C11	0.1°	0.6°
C8	C9	C10	H10	179.9°	179.4°
C9	C8	C13	H13	179.9°	179.2°
C8	C9	C4	H4	119.1°	136.5°
C9	C8	N7	H7	152.3°	178.7°
C3	C4	C9	H4	122.4°	119.5°
C3	C4	C9	C10	60.6°	76.1°
C4	C3	C2	H2	175.9°	179.7°
C3	C4	C5	H5	87.7°	145.4°
C4	C9	C10	C11	179.3°	179.3°
C9	C4	C3	H3	72.5°	36.1°
C4	C9	C10	H10	0.7°	0.6°
C9	C4	C5	H5	150.2°	90.8°
C13	C12	C11	H12	180.0°	180.0°
C13	C12	C11	C10	0.1°	0.3°
C13	C12	C11	S14	179.8°	179.6°
C9	C10	C11	C12	0.1°	0.1°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	S14	179.8°	179.9°
C10	C9	C4	H4	61.8°	43.4°
C12	C11	C10	S14	179.7°	180.0°
C12	C11	S14	O16	38.1°	156.5°
C12	C11	S14	O15	166.8°	23.5°
C12	C11	S14	N17	77.5°	90.0°
C12	C11	C10	H10	179.9°	179.9°
C11	C12	C13	H13	179.9°	179.9°
C10	C11	S14	O16	141.6°	23.5°
C10	C11	S14	O15	12.8°	156.4°
C10	C11	S14	N17	102.9°	90.0°
C10	C11	C12	H12	179.9°	179.7°
C11	S14	O16	O15	121.9°	122.9°
C11	S14	O16	N17	116.2°	114.1°
C11	S14	O15	N17	116.3°	114.0°
S14	C11	C10	H10	0.2°	0.1°
S14	C11	C12	H12	0.2°	0.4°
C11	S14	N17	H17B	180.0°	0.1°
C11	S14	N17	H17A	60.0°	180.0°
O16	S14	O15	N17	121.8°	123.0°
O16	S14	N17	H17B	64.4°	113.5°
O16	S14	N17	H17A	175.5°	66.5°
O15	S14	N17	H17B	64.3°	113.5°
O15	S14	N17	H17A	55.7°	66.5°
S14	N17	H17B	H17A	120.0°	180.0°
H1B	C1	C2	H2	82.8°	79.2°
H1B	C1	C5	H5	155.8°	26.2°
H1A	C1	C2	H2	39.8°	43.5°
H1A	C1	C5	H5	33.2°	96.5°
H2	C2	C3	H3	4.1°	0.3°
H3	C3	C4	H4	49.8°	83.5°
H12	C12	C13	H13	0.1°	0.1°
H19	C19	C20	H20	0.1°	0.0°
H22	C22	C23	H23	0.0°	0.3°
H4	C4	C5	H5	27.8°	29.9°
H5	C5	C6	H6	61.0°	33.4°
H6	C6	N7	H7	66.4°	36.4°

Release date:	2024-02-21
Definition date:	2023-12-05
Last modified:	2024-02-16
Release status:	REL
Processing site:	RCSB
Derived from:	8V86