C8C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.35Å	1.35Å
C2	N18	doub	1.35Å	1.35Å
C2	N3	sing	1.34Å	1.34Å
C4	C5	sing	1.38Å	1.38Å
C4	N3	sing	1.34Å	1.34Å
C4	O5	doub	1.36Å	1.36Å
C5	C6	doub	1.38Å	1.38Å
C6	C7	sing	1.51Å	1.51Å
C6	N18	sing	1.34Å	1.34Å
C7	C8	sing	1.51Å	1.51Å
C8	C9	sing	1.51Å	1.51Å
C9	C10	sing	1.39Å	1.39Å	Aromatic
C9	C17	doub	1.39Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.40Å	1.40Å	Aromatic
C12	C16	doub	1.39Å	1.39Å	Aromatic
C13	C14	doub	1.39Å	1.39Å	Aromatic
C14	N15	sing	1.34Å	1.34Å	Aromatic
N15	C16	sing	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.39Å	1.39Å	Aromatic
N1	H1N1	sing	1.00Å	1.00Å
N1	H1N2	sing	1.00Å	1.00Å
N3	H3	sing	1.00Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C7	H7C1	sing	1.10Å	1.10Å
C7	H7C2	sing	1.10Å	1.10Å
C8	H8C1	sing	1.10Å	1.10Å
C8	H8C2	sing	1.10Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
N15	H15	sing	1.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C2	N18	117.7°	117.7°
N1	C2	N3	116.1°	116.1°
C2	N1	H1N1	109.6°	109.6°
C2	N1	H1N2	125.2°	125.2°
N18	C2	N3	126.1°	126.1°
C2	N18	C6	116.0°	116.0°
C2	N3	C4	116.6°	116.6°
C2	N3	H3	121.7°	121.7°
C5	C4	N3	121.3°	121.3°
C5	C4	O5	120.2°	120.2°
C4	C5	C6	118.5°	118.5°
C4	C5	H5	120.8°	120.8°
N3	C4	O5	118.5°	118.5°
C4	N3	H3	121.7°	121.7°
C5	C6	C7	120.8°	120.8°
C5	C6	N18	121.5°	121.5°
C6	C5	H5	120.8°	120.8°
C7	C6	N18	117.7°	117.7°
C6	C7	C8	113.2°	113.2°
C6	C7	H7C1	108.2°	108.2°
C6	C7	H7C2	107.4°	107.4°
C7	C8	C9	114.3°	114.3°
C8	C7	H7C1	108.2°	108.2°
C8	C7	H7C2	107.4°	107.4°
C7	C8	H8C1	107.9°	107.9°
C7	C8	H8C2	106.8°	106.8°
C8	C9	C10	120.4°	120.4°
C8	C9	C17	119.8°	119.8°
C9	C8	H8C1	107.9°	107.9°
C9	C8	H8C2	106.8°	106.8°
C10	C9	C17	119.7°	119.7°
C9	C10	C11	121.2°	121.2°
C9	C10	H10	119.4°	119.4°
C9	C17	C16	119.1°	119.1°
C9	C17	H17	120.4°	120.4°
C10	C11	C12	119.0°	119.0°
C11	C10	H10	119.4°	119.4°
C10	C11	H11	120.5°	120.5°
C11	C12	C13	133.9°	133.9°
C11	C12	C16	120.1°	120.1°
C12	C11	H11	120.5°	120.5°
C13	C12	C16	106.0°	106.0°
C12	C13	C14	107.8°	107.8°
C12	C13	H13	126.1°	126.1°
C12	C16	N15	108.7°	108.7°
C12	C16	C17	120.9°	120.9°
C13	C14	N15	108.4°	108.4°
C14	C13	H13	126.1°	126.1°
C13	C14	H14	125.8°	125.8°
C14	N15	C16	109.1°	109.1°
N15	C14	H14	125.8°	125.8°
C14	N15	H15	125.4°	125.4°
N15	C16	C17	130.5°	130.5°
C16	N15	H15	125.5°	125.5°
C16	C17	H17	120.4°	120.4°
H1N1	N1	H1N2	125.2°	125.2°
H7C1	C7	H7C2	112.5°	112.5°
H8C1	C8	H8C2	113.3°	113.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N18	N3	179.9°	179.9°
N1	C2	N3	C4	179.9°	179.9°
N1	C2	N18	C6	179.3°	179.3°
C2	N1	H1N1	H1N2	180.0°	180.0°
N1	C2	N3	H3	0.1°	0.1°
N18	C2	N3	C4	0.3°	0.3°
C2	N18	C6	C5	0.8°	0.8°
C2	N18	C6	C7	179.8°	179.8°
N18	C2	N1	H1N1	0.0°	0.0°
N18	C2	N1	H1N2	180.0°	180.0°
N18	C2	N3	H3	179.7°	179.7°
C2	N3	C4	C5	0.3°	0.3°
C2	N3	C4	H3	180.0°	180.0°
C2	N3	C4	O5	179.8°	179.8°
N3	C2	N18	C6	0.8°	0.8°
N3	C2	N1	H1N1	179.9°	179.9°
N3	C2	N1	H1N2	0.2°	0.2°
C5	C4	N3	O5	179.9°	179.9°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	179.6°	179.6°
C4	C5	C6	N18	0.3°	0.3°
C5	C4	N3	H3	179.7°	179.7°
N3	C4	C5	C6	0.3°	0.3°
N3	C4	C5	H5	179.7°	179.7°
O5	C4	C5	C6	179.8°	179.8°
O5	C4	N3	H3	0.2°	0.2°
O5	C4	C5	H5	0.2°	0.2°
C5	C6	C7	N18	179.3°	179.3°
C5	C6	C7	C8	124.1°	124.1°
C5	C6	C7	H7C1	115.9°	115.9°
C5	C6	C7	H7C2	5.8°	5.8°
C6	C7	C8	H7C1	120.0°	120.0°
C6	C7	C8	H7C2	118.4°	118.4°
C6	C7	C8	C9	64.2°	64.2°
C7	C6	C5	H5	0.4°	0.4°
C6	C7	H7C1	H7C2	118.5°	118.5°
C6	C7	C8	H8C1	55.8°	55.8°
C6	C7	C8	H8C2	177.9°	177.9°
N18	C6	C7	C8	56.5°	56.5°
N18	C6	C5	H5	179.7°	179.7°
N18	C6	C7	H7C1	63.4°	63.4°
N18	C6	C7	H7C2	174.9°	174.9°
C7	C8	C9	H8C1	120.0°	120.0°
C7	C8	C9	H8C2	117.9°	117.9°
C7	C8	C9	C10	67.5°	67.5°
C7	C8	C9	C17	116.0°	116.0°
C8	C7	H7C1	H7C2	118.5°	118.5°
C7	C8	H8C1	H8C2	118.0°	118.0°
C8	C9	C10	C17	176.5°	176.5°
C8	C9	C10	C11	178.5°	178.5°
C8	C9	C17	C16	178.0°	178.0°
C9	C8	C7	H7C1	175.8°	175.8°
C9	C8	C7	H7C2	54.2°	54.2°
C9	C8	H8C1	H8C2	118.0°	118.0°
C8	C9	C10	H10	1.5°	1.5°
C8	C9	C17	H17	2.0°	2.0°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	C12	1.4°	1.4°
C10	C9	C17	C16	1.5°	1.5°
C10	C9	C8	H8C1	172.5°	172.5°
C10	C9	C8	H8C2	50.4°	50.4°
C10	C9	C17	H17	178.5°	178.5°
C9	C10	C11	H11	178.6°	178.6°
C17	C9	C10	C11	2.0°	2.0°
C9	C17	C16	C12	0.4°	0.4°
C9	C17	C16	N15	178.9°	178.9°
C9	C17	C16	H17	180.0°	180.0°
C17	C9	C8	H8C1	3.9°	3.9°
C17	C9	C8	H8C2	126.1°	126.1°
C17	C9	C10	H10	178.0°	178.0°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	179.9°	179.9°
C10	C11	C12	C16	0.3°	0.3°
C11	C12	C13	C16	179.7°	179.7°
C11	C12	C13	C14	179.5°	179.5°
C11	C12	C16	N15	179.6°	179.6°
C11	C12	C16	C17	0.2°	0.2°
C12	C11	C10	H10	178.6°	178.6°
C11	C12	C13	H13	0.5°	0.5°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	N15	0.2°	0.2°
C13	C12	C16	N15	0.1°	0.1°
C13	C12	C16	C17	179.5°	179.5°
C13	C12	C11	H11	0.1°	0.1°
C12	C13	C14	H14	179.8°	179.8°
C16	C12	C13	C14	0.2°	0.2°
C12	C16	N15	C14	0.0°	0.0°
C12	C16	N15	C17	179.4°	179.4°
C12	C16	C17	H17	179.6°	179.6°
C16	C12	C11	H11	179.7°	179.7°
C16	C12	C13	H13	179.8°	179.8°
C12	C16	N15	H15	180.0°	180.0°
C13	C14	N15	H14	180.0°	180.0°
C13	C14	N15	C16	0.1°	0.1°
C13	C14	N15	H15	179.9°	179.9°
C14	N15	C16	H15	180.0°	180.0°
C14	N15	C16	C17	179.4°	179.4°
N15	C14	C13	H13	179.8°	179.8°
N15	C16	C17	H17	1.1°	1.1°
C16	N15	C14	H14	179.9°	179.9°
C17	C16	N15	H15	0.7°	0.7°
H7C1	C7	C8	H8C1	64.2°	64.2°
H7C1	C7	C8	H8C2	58.0°	58.0°
H7C2	C7	C8	H8C1	174.2°	174.2°
H7C2	C7	C8	H8C2	63.7°	63.7°
H10	C10	C11	H11	1.4°	1.4°
H13	C13	C14	H14	0.2°	0.2°
H14	C14	N15	H15	0.1°	0.1°

Definition date:	2007-08-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2VA5