CO0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	C20	doub	1.38Å	1.40Å	Aromatic
C19	C18	sing	1.40Å	1.37Å	Aromatic
C20	C1	sing	1.39Å	1.43Å	Aromatic
N17	C18	sing	1.39Å	1.85Å
N17	C15	sing	1.33Å	1.64Å
C18	C3	doub	1.39Å	1.49Å	Aromatic
O16	C15	doub	1.22Å	1.20Å
C1	C2	doub	1.38Å	1.41Å	Aromatic
C15	C7	sing	1.47Å	1.33Å
C3	C2	sing	1.41Å	1.38Å	Aromatic
C3	C4	sing	1.47Å	1.24Å
C7	C8	doub	1.35Å	1.36Å
C7	N6	sing	1.40Å	1.06Å
C4	N6	sing	1.33Å	1.31Å
C4	O5	doub	1.22Å	1.22Å
C8	C9	sing	1.47Å	1.55Å
N6	C23	sing	1.47Å	1.49Å
C9	C14	doub	1.40Å	1.40Å	Aromatic
C9	C10	sing	1.40Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C8	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
N17	H8	sing	0.97Å	1.00Å
C19	H9	sing	1.08Å	1.08Å
C1	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C23	H14	sing	1.09Å	1.10Å
C23	H12	sing	1.09Å	1.10Å
C23	H13	sing	1.09Å	1.10Å
C14	H15	sing	1.08Å	1.08Å
C12	H17	sing	1.08Å	1.08Å
C11	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C19	C18	119.0°	120.8°
C19	C20	C1	118.6°	119.9°
C19	C20	H4	120.7°	120.1°
C20	C19	H9	120.5°	119.6°
C19	C18	N17	121.7°	116.7°
C19	C18	C3	124.8°	119.4°
C18	C19	H9	120.5°	119.5°
C20	C1	C2	121.4°	120.0°
C1	C20	H4	120.7°	119.9°
C20	C1	H10	119.3°	120.0°
C18	N17	C15	107.2°	125.1°
N17	C18	C3	113.5°	123.8°
C18	N17	H8	126.4°	117.3°
N17	C15	O16	109.8°	119.7°
N17	C15	C7	124.8°	120.6°
C15	N17	H8	126.4°	117.6°
C18	C3	C2	113.7°	119.2°
C18	C3	C4	119.9°	123.8°
O16	C15	C7	125.2°	119.7°
C1	C2	C3	122.5°	120.6°
C2	C1	H10	119.3°	120.0°
C1	C2	H11	118.7°	119.6°
C15	C7	C8	110.7°	121.4°
C15	C7	N6	124.9°	117.3°
C2	C3	C4	126.1°	117.0°
C3	C2	H11	118.8°	119.7°
C3	C4	N6	124.8°	124.4°
C3	C4	O5	111.4°	117.7°
C8	C7	N6	124.2°	121.3°
C7	C8	C9	129.8°	120.1°
C7	C8	H1	115.1°	120.0°
C7	N6	C4	128.3°	120.2°
C7	N6	C23	116.0°	119.9°
N6	C4	O5	117.6°	117.8°
C4	N6	C23	111.8°	119.9°
C8	C9	C14	117.6°	120.1°
C8	C9	C10	124.0°	120.2°
C9	C8	H1	115.1°	120.0°
N6	C23	H14	109.5°	109.5°
N6	C23	H12	109.5°	109.4°
N6	C23	H13	109.4°	109.5°
C14	C9	C10	118.4°	119.6°
C9	C14	C13	122.0°	119.9°
C9	C14	H15	119.0°	120.1°
C9	C10	C11	119.9°	119.8°
C9	C10	H2	120.1°	120.1°
C14	C13	C12	119.1°	120.1°
C14	C13	H3	120.5°	119.9°
C13	C14	H15	119.0°	120.1°
C10	C11	C12	121.2°	120.2°
C11	C10	H2	120.1°	120.1°
C10	C11	H16	119.4°	119.9°
C13	C12	C11	119.5°	120.4°
C12	C13	H3	120.4°	119.9°
C13	C12	H17	120.2°	119.8°
C11	C12	H17	120.3°	119.8°
C12	C11	H16	119.4°	120.0°
H14	C23	H12	109.5°	109.4°
H14	C23	H13	109.4°	109.5°
H12	C23	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C19	C18	H9	180.0°	178.9°
C19	C20	C1	H4	180.0°	179.2°
C20	C19	C18	N17	179.7°	179.8°
C20	C19	C18	C3	0.9°	0.6°
C19	C20	C1	C2	0.6°	0.9°
C19	C20	C1	H10	179.4°	179.9°
C18	C19	C20	C1	0.9°	1.1°
C19	C18	N17	C3	179.5°	179.1°
C19	C18	N17	C15	136.5°	139.1°
C19	C18	C3	C2	2.9°	0.0°
C19	C18	C3	C4	176.9°	179.7°
C18	C19	C20	H4	179.1°	179.8°
C19	C18	N17	H8	43.5°	40.1°
C20	C1	C2	H10	180.0°	179.2°
C20	C1	C2	C3	1.6°	0.3°
C1	C20	C19	H9	179.1°	180.0°
C20	C1	C2	H11	178.4°	179.7°
C18	N17	C15	H8	180.0°	179.2°
C18	N17	C15	O16	156.0°	171.9°
C18	N17	C15	C7	20.0°	8.1°
N17	C18	C3	C2	177.6°	179.1°
N17	C18	C3	C4	3.6°	1.2°
N17	C18	C19	H9	0.3°	1.3°
C15	N17	C18	C3	43.0°	41.8°
N17	C15	O16	C7	176.0°	180.0°
N17	C15	C7	C8	140.8°	121.3°
N17	C15	C7	N6	44.1°	58.7°
C18	C3	C2	C1	3.1°	0.2°
C18	C3	C2	C4	173.6°	179.7°
C18	C3	C4	N6	68.4°	40.2°
C18	C3	C4	O5	140.1°	140.1°
C3	C18	N17	H8	137.0°	139.0°
C3	C18	C19	H9	179.1°	179.5°
C18	C3	C2	H11	176.9°	179.8°
O16	C15	C7	C8	34.6°	58.7°
O16	C15	C7	N6	140.5°	121.3°
O16	C15	N17	H8	24.0°	7.2°
C1	C2	C3	H11	180.0°	180.0°
C1	C2	C3	C4	176.7°	179.5°
C2	C1	C20	H4	179.4°	179.9°
C15	C7	C8	N6	175.2°	180.0°
C15	C7	N6	C4	45.2°	58.3°
C15	C7	C8	C9	176.7°	172.4°
C15	C7	N6	C23	110.3°	121.8°
C15	C7	C8	H1	3.3°	7.5°
C7	C15	N17	H8	160.0°	172.7°
C2	C3	C4	N6	118.4°	139.5°
C2	C3	C4	O5	33.1°	40.2°
C3	C2	C1	H10	178.3°	179.5°
C3	C4	N6	C7	40.5°	5.7°
C3	C4	N6	O5	149.9°	179.7°
C3	C4	N6	C23	163.1°	174.2°
C4	C3	C2	H11	3.3°	0.5°
C8	C7	N6	C4	140.3°	121.8°
C7	C8	C9	H1	180.0°	180.0°
C8	C7	N6	C23	64.2°	58.2°
C7	C8	C9	C14	142.5°	28.4°
C7	C8	C9	C10	36.4°	151.6°
C7	N6	C4	C23	156.4°	180.0°
C7	N6	C4	O5	169.7°	174.6°
N6	C7	C8	C9	1.5°	7.6°
N6	C7	C8	H1	178.5°	172.4°
C7	N6	C23	H14	180.0°	179.3°
C7	N6	C23	H12	60.0°	59.4°
C7	N6	C23	H13	60.0°	60.7°
C4	N6	C23	H14	20.5°	0.7°
C4	N6	C23	H12	99.5°	120.7°
C4	N6	C23	H13	140.5°	119.3°
O5	C4	N6	C23	13.3°	5.5°
C8	C9	C14	C10	179.0°	180.0°
C8	C9	C14	C13	178.4°	180.0°
C8	C9	C10	C11	178.5°	180.0°
C8	C9	C10	H2	1.5°	0.3°
C8	C9	C14	H15	1.7°	0.1°
N6	C23	H14	H12	120.0°	119.9°
N6	C23	H14	H13	120.0°	120.0°
N6	C23	H12	H13	120.0°	120.0°
C9	C14	C13	H15	180.0°	179.9°
C14	C9	C10	C11	0.4°	0.0°
C9	C14	C13	C12	0.9°	0.2°
C14	C9	C8	H1	37.4°	151.6°
C14	C9	C10	H2	179.6°	179.6°
C9	C14	C13	H3	179.1°	179.7°
C10	C9	C14	C13	0.6°	0.0°
C9	C10	C11	H2	180.0°	179.6°
C9	C10	C11	C12	0.6°	0.3°
C10	C9	C8	H1	143.6°	28.5°
C10	C9	C14	H15	179.4°	180.0°
C9	C10	C11	H16	179.4°	179.8°
C14	C13	C12	H3	180.0°	179.4°
C14	C13	C12	C11	1.0°	0.6°
C14	C13	C12	H17	179.0°	179.5°
C10	C11	C12	C13	0.8°	0.6°
C10	C11	C12	H16	180.0°	179.9°
C10	C11	C12	H17	179.2°	179.4°
C13	C12	C11	H17	180.0°	180.0°
C12	C13	C14	H15	179.1°	179.7°
C13	C12	C11	H16	179.1°	179.5°
C12	C11	C10	H2	179.5°	180.0°
C11	C12	C13	H3	179.0°	180.0°
H2	C10	C11	H16	0.6°	0.2°
H3	C13	C14	H15	0.9°	0.2°
H3	C13	C12	H17	1.0°	0.0°
H4	C20	C19	H9	0.9°	0.8°
H4	C20	C1	H10	0.6°	0.7°
H10	C1	C2	H11	1.6°	0.5°
H14	C23	H12	H13	120.0°	120.0°
H17	C12	C11	H16	0.9°	0.4°

Release date:	2020-03-18
Definition date:	2019-05-10
Last modified:	2020-03-13
Release status:	REL
Processing site:	PDBJ
Derived from:	6K0E