EON

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
O11	C9	doub	1.22Å	1.23Å
C7	C2	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.41Å	Aromatic
C3	N8	sing	1.40Å	1.42Å
C9	N8	sing	1.35Å	1.37Å
C9	N10	sing	1.35Å	1.37Å
C2	O1	sing	1.36Å	1.37Å
N10	C12	sing	1.40Å	1.41Å
O1	C1	sing	1.43Å	1.42Å
O18	C17	sing	1.36Å	1.36Å
C12	C17	doub	1.39Å	1.40Å	Aromatic
C12	C13	sing	1.39Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C14	S19	sing	1.76Å	1.77Å
N22	S19	sing	1.66Å	1.62Å
S19	O21	doub	1.42Å	1.44Å
S19	O20	doub	1.42Å	1.43Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
N10	H5	sing	0.97Å	1.00Å
C15	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
N8	H11	sing	0.97Å	1.00Å
C13	H12	sing	1.08Å	1.08Å
O18	H13	sing	0.97Å	0.95Å
N22	H14	sing	0.97Å	1.00Å
N22	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C5	C4	120.5°	120.2°
C5	C6	C7	120.6°	120.2°
C6	C5	H2	119.7°	119.9°
C5	C6	H3	119.7°	119.9°
C5	C4	C3	119.8°	120.0°
C5	C4	H1	120.1°	120.0°
C4	C5	H2	119.8°	119.9°
C6	C7	C2	119.4°	120.0°
C7	C6	H3	119.7°	119.9°
C6	C7	H4	120.3°	120.0°
C4	C3	C2	119.3°	119.8°
C4	C3	N8	123.7°	120.1°
C3	C4	H1	120.1°	120.0°
O11	C9	N8	124.1°	120.0°
O11	C9	N10	123.3°	120.1°
C7	C2	C3	120.4°	119.9°
C7	C2	O1	124.8°	120.0°
C2	C7	H4	120.3°	120.0°
C2	C3	N8	117.0°	120.2°
C3	C2	O1	114.8°	120.1°
C3	N8	C9	128.1°	120.0°
C3	N8	H11	115.9°	119.9°
N8	C9	N10	112.6°	120.0°
C9	N8	H11	116.0°	120.0°
C9	N10	C12	127.2°	120.0°
C9	N10	H5	116.4°	120.0°
C2	O1	C1	118.1°	117.0°
N10	C12	C17	119.6°	120.1°
N10	C12	C13	120.3°	120.1°
C12	N10	H5	116.4°	120.0°
O1	C1	H8	109.5°	109.5°
O1	C1	H9	109.5°	109.5°
O1	C1	H10	109.5°	109.5°
O18	C17	C12	118.4°	120.1°
O18	C17	C16	120.0°	120.1°
C17	O18	H13	109.5°	114.0°
C17	C12	C13	119.9°	119.8°
C12	C17	C16	119.7°	119.8°
C12	C13	C14	119.2°	120.0°
C12	C13	H12	120.4°	120.0°
C17	C16	C15	120.5°	120.1°
C17	C16	H7	119.8°	120.0°
C13	C14	C15	121.2°	120.2°
C13	C14	S19	119.9°	119.9°
C14	C13	H12	120.4°	120.1°
C16	C15	C14	119.4°	120.2°
C16	C15	H6	120.3°	120.0°
C15	C16	H7	119.7°	120.0°
C15	C14	S19	118.9°	119.9°
C14	C15	H6	120.3°	119.9°
C14	S19	N22	109.4°	107.2°
C14	S19	O21	108.1°	106.4°
C14	S19	O20	106.3°	106.4°
N22	S19	O21	106.6°	106.4°
N22	S19	O20	107.8°	106.4°
S19	N22	H14	109.5°	120.0°
S19	N22	H15	109.4°	120.0°
O21	S19	O20	118.5°	123.2°
H8	C1	H9	109.5°	109.5°
H8	C1	H10	109.5°	109.5°
H9	C1	H10	109.5°	109.4°
H14	N22	H15	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C5	C4	H2	180.0°	179.7°
C5	C6	C7	H3	180.0°	179.8°
C6	C5	C4	C3	1.2°	0.0°
C5	C6	C7	C2	0.3°	0.4°
C6	C5	C4	H1	178.9°	179.9°
C5	C6	C7	H4	179.7°	180.0°
C4	C5	C6	C7	1.1°	0.2°
C5	C4	C3	H1	180.0°	179.9°
C5	C4	C3	C2	0.3°	0.0°
C5	C4	C3	N8	178.8°	180.0°
C4	C5	C6	H3	178.8°	180.0°
C6	C7	C2	H4	180.0°	179.6°
C6	C7	C2	C3	1.8°	0.4°
C6	C7	C2	O1	174.8°	179.8°
C7	C6	C5	H2	178.8°	179.9°
C4	C3	C2	C7	1.8°	0.2°
C4	C3	C2	N8	179.1°	180.0°
C4	C3	N8	C9	45.4°	24.8°
C4	C3	C2	O1	175.1°	180.0°
C3	C4	C5	H2	178.8°	179.7°
C4	C3	N8	H11	134.6°	155.3°
O11	C9	N8	C3	16.7°	5.6°
O11	C9	N8	N10	179.8°	179.9°
O11	C9	N10	C12	168.9°	4.7°
O11	C9	N10	H5	11.1°	175.3°
O11	C9	N8	H11	163.3°	174.3°
C7	C2	C3	O1	176.9°	179.8°
C7	C2	C3	N8	177.3°	179.8°
C7	C2	O1	C1	12.4°	0.3°
C2	C7	C6	H3	179.7°	179.8°
C2	C3	N8	C9	135.5°	155.2°
C3	C2	O1	C1	170.8°	180.0°
C2	C3	C4	H1	179.7°	179.9°
C3	C2	C7	H4	178.2°	180.0°
C2	C3	N8	H11	44.5°	24.7°
C3	N8	C9	H11	180.0°	179.9°
C3	N8	C9	N10	163.1°	174.3°
N8	C3	C2	O1	5.8°	0.0°
N8	C3	C4	H1	1.3°	0.1°
N8	C9	N10	C12	10.9°	175.3°
N8	C9	N10	H5	169.1°	4.7°
C9	N10	C12	H5	180.0°	180.0°
C9	N10	C12	C17	68.6°	144.9°
C9	N10	C12	C13	115.0°	34.8°
N10	C9	N8	H11	16.9°	5.8°
O1	C2	C7	H4	5.2°	0.2°
C2	O1	C1	H8	180.0°	60.0°
C2	O1	C1	H9	60.0°	60.0°
C2	O1	C1	H10	60.0°	180.0°
N10	C12	C17	O18	10.1°	0.0°
N10	C12	C17	C13	176.4°	179.8°
N10	C12	C17	C16	174.4°	180.0°
N10	C12	C13	C14	174.3°	179.7°
N10	C12	C13	H12	5.7°	0.1°
O1	C1	H8	H9	120.0°	120.1°
O1	C1	H8	H10	120.0°	120.0°
O1	C1	H9	H10	120.0°	120.0°
O18	C17	C12	C16	164.3°	180.0°
O18	C17	C12	C13	166.2°	179.7°
O18	C17	C16	C15	164.7°	180.0°
O18	C17	C16	H7	15.3°	0.0°
C17	C12	C13	C14	2.0°	0.5°
C12	C17	C16	C15	0.7°	0.0°
C17	C12	N10	H5	111.4°	35.1°
C12	C17	C16	H7	179.3°	180.0°
C17	C12	C13	H12	178.0°	179.7°
C12	C17	O18	H13	180.0°	90.0°
C13	C12	C17	C16	2.0°	0.2°
C12	C13	C14	H12	180.0°	179.8°
C12	C13	C14	C15	0.8°	0.5°
C12	C13	C14	S19	175.9°	179.7°
C13	C12	N10	H5	65.0°	145.2°
C17	C16	C15	H7	180.0°	180.0°
C17	C16	C15	C14	0.5°	0.0°
C17	C16	C15	H6	179.5°	180.0°
C16	C17	O18	H13	15.8°	90.0°
C13	C14	C15	C16	0.4°	0.3°
C13	C14	C15	S19	176.7°	179.7°
C13	C14	S19	N22	28.4°	90.3°
C13	C14	S19	O21	87.3°	156.2°
C13	C14	S19	O20	144.5°	23.3°
C13	C14	C15	H6	179.6°	179.7°
C16	C15	C14	H6	180.0°	180.0°
C16	C15	C14	S19	177.2°	180.0°
C15	C14	S19	N22	148.4°	90.0°
C15	C14	S19	O21	95.9°	23.6°
C15	C14	S19	O20	32.3°	156.5°
C14	C15	C16	H7	179.5°	180.0°
C15	C14	C13	H12	179.2°	179.7°
C14	S19	N22	O21	116.7°	113.5°
C14	S19	N22	O20	115.2°	113.5°
C14	S19	O21	O20	120.9°	123.0°
S19	C14	C15	H6	2.9°	0.0°
S19	C14	C13	H12	4.1°	0.0°
C14	S19	N22	H14	180.0°	0.0°
C14	S19	N22	H15	60.0°	180.0°
N22	S19	O21	O20	121.6°	122.9°
S19	N22	H14	H15	120.0°	180.0°
O21	S19	N22	H14	63.3°	113.5°
O21	S19	N22	H15	176.6°	66.5°
O20	S19	N22	H14	64.8°	113.6°
O20	S19	N22	H15	55.2°	66.4°
H1	C4	C5	H2	1.2°	0.2°
H2	C5	C6	H3	1.2°	0.3°
H3	C6	C7	H4	0.3°	0.2°
H6	C15	C16	H7	0.5°	0.0°
H8	C1	H9	H10	120.0°	120.0°

Release date:	2018-10-10
Definition date:	2018-04-05
Last modified:	2018-10-05
Release status:	REL
Processing site:	RCSB
Derived from:	6FAG