EC9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	C19	sing	1.51Å	1.53Å
C19	O20	doub	1.21Å	1.19Å
C19	N12	sing	1.35Å	1.46Å
C18	C17	doub	1.38Å	1.39Å	Aromatic
C18	N22	sing	1.32Å	1.35Å	Aromatic
C17	C16	sing	1.39Å	1.35Å	Aromatic
N12	C9	sing	1.39Å	1.45Å
N22	C14	doub	1.32Å	1.35Å	Aromatic
C9	C8	sing	1.40Å	1.39Å	Aromatic
C9	N10	doub	1.32Å	1.33Å	Aromatic
C16	C15	doub	1.38Å	1.35Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.39Å	1.38Å	Aromatic
C14	N13	sing	1.39Å	1.45Å
N10	C5	sing	1.34Å	1.32Å	Aromatic
C7	N13	sing	1.39Å	1.45Å
C7	C6	sing	1.42Å	1.36Å	Aromatic
C5	C6	sing	1.41Å	1.38Å	Aromatic
C5	C4	doub	1.41Å	1.38Å	Aromatic
C6	C1	doub	1.40Å	1.39Å	Aromatic
O11	C4	sing	1.36Å	1.40Å
C4	C3	sing	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.36Å	1.38Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C18	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C21	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C21	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
N12	H12	sing	0.97Å	1.00Å
N13	H13	sing	0.97Å	1.00Å
O11	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C19	O20	120.1°	120.0°
C21	C19	N12	118.6°	120.0°
C19	C21	H7	109.5°	109.5°
C19	C21	H8	109.5°	109.4°
C19	C21	H9	109.5°	109.5°
O20	C19	N12	121.2°	120.0°
C19	N12	C9	126.9°	120.0°
C19	N12	H12	116.5°	120.0°
C17	C18	N22	118.7°	120.9°
C18	C17	C16	120.2°	119.3°
C18	C17	H4	119.9°	120.3°
C17	C18	H5	120.6°	119.6°
C18	N22	C14	120.8°	121.6°
N22	C18	H5	120.6°	119.5°
C17	C16	C15	120.9°	118.5°
C17	C16	H3	119.6°	120.7°
C16	C17	H4	119.9°	120.4°
N12	C9	C8	122.7°	119.2°
N12	C9	N10	117.5°	119.1°
C9	N12	H12	116.5°	119.9°
N22	C14	C15	120.3°	120.6°
N22	C14	N13	122.0°	119.7°
C8	C9	N10	119.8°	121.6°
C9	C8	C7	119.2°	119.7°
C9	C8	H11	120.4°	120.2°
C9	N10	C5	121.4°	121.6°
C16	C15	C14	119.0°	119.1°
C16	C15	H2	120.5°	120.4°
C15	C16	H3	119.6°	120.8°
C8	C7	N13	124.4°	121.0°
C8	C7	C6	120.0°	118.0°
C7	C8	H11	120.4°	120.1°
C15	C14	N13	117.6°	119.7°
C14	C15	H2	120.5°	120.5°
C14	N13	C7	123.2°	120.0°
C14	N13	H13	118.4°	120.0°
N10	C5	C6	121.2°	120.0°
N10	C5	C4	118.5°	120.9°
N13	C7	C6	115.6°	121.0°
C7	N13	H13	118.4°	120.0°
C7	C6	C5	118.5°	119.0°
C7	C6	C1	121.1°	121.2°
C6	C5	C4	120.3°	119.1°
C5	C6	C1	120.4°	119.8°
C5	C4	O11	119.8°	120.2°
C5	C4	C3	119.3°	119.6°
C6	C1	C2	119.8°	119.9°
C6	C1	H1	120.1°	120.0°
O11	C4	C3	120.9°	120.2°
C4	O11	H14	109.5°	114.0°
C4	C3	C2	120.5°	120.8°
C4	C3	H10	119.7°	119.6°
C1	C2	C3	119.7°	120.9°
C2	C1	H1	120.1°	120.1°
C1	C2	H6	120.2°	119.6°
C3	C2	H6	120.1°	119.6°
C2	C3	H10	119.7°	119.6°
H7	C21	H8	109.5°	109.4°
H7	C21	H9	109.4°	109.5°
H8	C21	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C19	O20	N12	179.9°	179.9°
C21	C19	N12	C9	179.2°	174.7°
C19	C21	H7	H8	120.0°	119.9°
C19	C21	H7	H9	120.0°	120.0°
C19	C21	H8	H9	120.0°	120.0°
C21	C19	N12	H12	0.8°	5.3°
O20	C19	N12	C9	0.9°	5.2°
O20	C19	C21	H7	0.0°	0.1°
O20	C19	C21	H8	120.0°	120.0°
O20	C19	C21	H9	120.0°	119.9°
O20	C19	N12	H12	179.1°	174.8°
C19	N12	C9	H12	180.0°	180.0°
C19	N12	C9	C8	13.0°	174.6°
C19	N12	C9	N10	168.7°	5.9°
N12	C19	C21	H7	179.9°	180.0°
N12	C19	C21	H8	60.1°	60.1°
N12	C19	C21	H9	59.9°	60.0°
C17	C18	N22	H5	180.0°	179.7°
C18	C17	C16	H4	180.0°	179.9°
C17	C18	N22	C14	0.3°	0.6°
C18	C17	C16	C15	0.4°	0.0°
C18	C17	C16	H3	179.5°	179.9°
N22	C18	C17	C16	0.1°	0.3°
C18	N22	C14	C15	0.9°	0.6°
C18	N22	C14	N13	179.6°	179.7°
N22	C18	C17	H4	179.9°	179.7°
C17	C16	C15	H3	180.0°	180.0°
C17	C16	C15	C14	1.0°	0.0°
C17	C16	C15	H2	179.0°	180.0°
C16	C17	C18	H5	179.9°	180.0°
N12	C9	C8	N10	178.2°	179.5°
N12	C9	C8	C7	178.4°	180.0°
N12	C9	N10	C5	178.8°	179.4°
N12	C9	C8	H11	1.6°	0.1°
N22	C14	C15	C16	1.2°	0.3°
N22	C14	C15	N13	179.6°	179.7°
N22	C14	N13	C7	20.5°	176.1°
N22	C14	C15	H2	178.8°	179.7°
C14	N22	C18	H5	179.6°	179.7°
N22	C14	N13	H13	159.5°	3.9°
C9	C8	C7	H11	180.0°	180.0°
C8	C9	N10	C5	0.4°	1.1°
C9	C8	C7	N13	179.7°	180.0°
C9	C8	C7	C6	0.2°	0.0°
C8	C9	N12	H12	167.0°	5.4°
N10	C9	C8	C7	0.2°	0.5°
C9	N10	C5	C6	0.2°	1.1°
C9	N10	C5	C4	179.6°	179.5°
N10	C9	C8	H11	179.8°	179.4°
N10	C9	N12	H12	11.2°	174.1°
C16	C15	C14	H2	180.0°	180.0°
C16	C15	C14	N13	179.2°	180.0°
C15	C16	C17	H4	179.6°	179.9°
C8	C7	N13	C14	12.4°	104.6°
C8	C7	N13	C6	179.5°	180.0°
C8	C7	C6	C5	0.4°	0.0°
C8	C7	C6	C1	178.6°	179.5°
C8	C7	N13	H13	167.6°	75.4°
C15	C14	N13	C7	159.9°	4.2°
C14	C15	C16	H3	179.0°	180.0°
C15	C14	N13	H13	20.1°	175.8°
C14	N13	C7	H13	180.0°	180.0°
C14	N13	C7	C6	168.1°	75.5°
N13	C14	C15	H2	0.8°	0.0°
N10	C5	C6	C7	0.2°	0.5°
N10	C5	C6	C4	179.8°	179.5°
N10	C5	C6	C1	178.8°	179.9°
N10	C5	C4	O11	0.1°	0.4°
N10	C5	C4	C3	179.9°	179.7°
N13	C7	C6	C5	179.9°	180.0°
N13	C7	C6	C1	0.9°	0.5°
N13	C7	C8	H11	0.3°	0.0°
C7	C6	C5	C1	179.0°	179.5°
C7	C6	C5	C4	180.0°	180.0°
C7	C6	C1	C2	179.2°	180.0°
C7	C6	C1	H1	0.8°	0.2°
C6	C7	C8	H11	179.8°	180.0°
C6	C7	N13	H13	11.9°	104.5°
C6	C5	C4	O11	179.9°	179.8°
C6	C5	C4	C3	0.1°	0.2°
C5	C6	C1	C2	1.8°	0.5°
C5	C6	C1	H1	178.2°	179.7°
C4	C5	C6	C1	1.0°	0.5°
C5	C4	O11	C3	180.0°	179.9°
C5	C4	C3	C2	0.3°	0.0°
C5	C4	C3	H10	179.7°	180.0°
C5	C4	O11	H14	180.0°	90.0°
C6	C1	C2	H1	180.0°	179.8°
C6	C1	C2	C3	1.6°	0.3°
C6	C1	C2	H6	178.4°	179.8°
O11	C4	C3	C2	179.7°	179.9°
O11	C4	C3	H10	0.3°	0.1°
C4	C3	C2	C1	0.6°	0.0°
C4	C3	C2	H10	180.0°	180.0°
C4	C3	C2	H6	179.4°	180.0°
C3	C4	O11	H14	0.0°	90.1°
C1	C2	C3	H6	180.0°	179.9°
C1	C2	C3	H10	179.4°	180.0°
C3	C2	C1	H1	178.4°	180.0°
H1	C1	C2	H6	1.6°	0.0°
H2	C15	C16	H3	1.0°	0.0°
H3	C16	C17	H4	0.4°	0.0°
H4	C17	C18	H5	0.1°	0.1°
H6	C2	C3	H10	0.6°	0.1°
H7	C21	H8	H9	119.9°	120.0°

Release date:	2020-12-09
Definition date:	2019-12-10
Last modified:	2020-12-04
Release status:	REL
Processing site:	PDBJ
Derived from:	6LG6