8V7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	N7	sing	1.29Å	1.28Å	Aromatic
N6	C5	doub	1.31Å	1.30Å	Aromatic
N7	C8	doub	1.32Å	1.31Å	Aromatic
S13	C9	sing	1.76Å	1.75Å	Aromatic
S13	C12	sing	1.71Å	1.71Å	Aromatic
C5	N4	sing	1.35Å	1.36Å	Aromatic
C8	C9	sing	1.47Å	1.47Å
C8	N4	sing	1.37Å	1.38Å	Aromatic
C9	N10	doub	1.30Å	1.29Å	Aromatic
N4	C2	sing	1.47Å	1.48Å
C12	C11	doub	1.36Å	1.36Å	Aromatic
N10	C11	sing	1.32Å	1.33Å	Aromatic
C3	C2	sing	1.53Å	1.53Å
C11	C14	sing	1.47Å	1.47Å
C2	C1	sing	1.53Å	1.53Å
C14	O15	doub	1.22Å	1.22Å
C14	N16	sing	1.35Å	1.36Å
N16	C17	sing	1.39Å	1.40Å
C17	N22	doub	1.32Å	1.33Å	Aromatic
C17	C18	sing	1.39Å	1.40Å	Aromatic
N22	C21	sing	1.32Å	1.33Å	Aromatic
C18	C19	doub	1.38Å	1.39Å	Aromatic
C21	C20	doub	1.38Å	1.39Å	Aromatic
C19	C20	sing	1.39Å	1.40Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.08Å	1.08Å
N16	H12	sing	0.97Å	1.00Å
C18	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N7	N6	C5	109.7°	110.0°
N6	N7	C8	109.5°	109.5°
N6	C5	N4	108.8°	107.7°
N6	C5	H1	125.6°	126.2°
N7	C8	C9	123.1°	126.5°
N7	C8	N4	107.7°	106.9°
C9	S13	C12	91.0°	90.7°
S13	C9	C8	123.6°	125.3°
S13	C9	N10	109.5°	109.5°
S13	C12	C11	108.5°	109.0°
S13	C12	H11	125.8°	125.5°
C5	N4	C8	104.2°	105.9°
C5	N4	C2	127.0°	127.1°
N4	C5	H1	125.6°	126.2°
C9	C8	N4	129.1°	126.6°
C8	C9	N10	126.9°	125.2°
C8	N4	C2	128.8°	127.0°
C9	N10	C11	116.1°	115.9°
N4	C2	C3	112.8°	109.5°
N4	C2	C1	110.8°	109.5°
N4	C2	H7	108.5°	109.5°
C12	C11	N10	115.0°	114.9°
C12	C11	C14	124.0°	122.5°
C11	C12	H11	125.8°	125.5°
N10	C11	C14	121.0°	122.5°
C3	C2	C1	108.8°	109.5°
C3	C2	H7	107.9°	109.5°
C2	C3	H8	109.5°	109.5°
C2	C3	H9	109.5°	109.5°
C2	C3	H10	109.5°	109.5°
C11	C14	O15	119.8°	120.0°
C11	C14	N16	116.7°	120.0°
C2	C1	H4	109.5°	109.4°
C2	C1	H5	109.5°	109.4°
C2	C1	H6	109.5°	109.4°
C1	C2	H7	107.8°	109.5°
O15	C14	N16	123.5°	120.0°
C14	N16	C17	128.2°	120.0°
C14	N16	H12	115.9°	120.0°
N16	C17	N22	117.0°	119.7°
N16	C17	C18	123.2°	119.7°
C17	N16	H12	115.9°	120.0°
N22	C17	C18	119.8°	120.6°
C17	N22	C21	121.9°	121.6°
C17	C18	C19	119.7°	119.1°
C17	C18	H13	120.1°	120.5°
N22	C21	C20	121.2°	120.8°
N22	C21	H3	119.4°	119.6°
C18	C19	C20	118.5°	118.5°
C19	C18	H13	120.1°	120.4°
C18	C19	H14	120.7°	120.7°
C21	C20	C19	118.8°	119.3°
C21	C20	H2	120.6°	120.3°
C20	C21	H3	119.4°	119.6°
C19	C20	H2	120.6°	120.3°
C20	C19	H14	120.8°	120.8°
H4	C1	H5	109.4°	109.5°
H4	C1	H6	109.5°	109.5°
H5	C1	H6	109.5°	109.5°
H8	C3	H9	109.4°	109.5°
H8	C3	H10	109.5°	109.5°
H9	C3	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N7	N6	C5	N4	0.2°	0.0°
N6	N7	C8	C9	179.8°	180.0°
N6	N7	C8	N4	0.1°	0.4°
N7	N6	C5	H1	179.8°	179.7°
C5	N6	N7	C8	0.2°	0.2°
N6	C5	N4	H1	180.0°	179.7°
N6	C5	N4	C8	0.1°	0.3°
N6	C5	N4	C2	179.8°	179.8°
N7	C8	C9	S13	9.4°	4.9°
N7	C8	N4	C5	0.0°	0.4°
N7	C8	C9	N4	179.6°	179.5°
N7	C8	C9	N10	170.1°	175.4°
N7	C8	N4	C2	179.9°	179.6°
S13	C9	C8	N10	179.4°	179.7°
S13	C9	C8	N4	171.0°	174.6°
C9	S13	C12	C11	0.3°	0.3°
S13	C9	N10	C11	0.2°	0.3°
C9	S13	C12	H11	179.6°	179.9°
C12	S13	C9	C8	179.8°	179.9°
C12	S13	C9	N10	0.3°	0.4°
S13	C12	C11	H11	180.0°	179.8°
S13	C12	C11	N10	0.3°	0.3°
S13	C12	C11	C14	180.0°	179.7°
C5	N4	C8	C9	179.6°	180.0°
C5	N4	C8	C2	180.0°	179.9°
C5	N4	C2	C3	45.9°	65.0°
C5	N4	C2	C1	76.4°	55.0°
C5	N4	C2	H7	165.4°	175.0°
C9	C8	N4	C2	0.4°	0.0°
C8	C9	N10	C11	179.7°	180.0°
N4	C8	C9	N10	9.5°	5.1°
C8	N4	C2	C3	134.2°	115.0°
C8	N4	C2	C1	103.5°	125.0°
C8	N4	C5	H1	179.9°	180.0°
C8	N4	C2	H7	14.7°	5.0°
C9	N10	C11	C12	0.0°	0.0°
C9	N10	C11	C14	179.7°	180.0°
N4	C2	C3	C1	123.4°	120.0°
N4	C2	C3	H7	119.9°	120.0°
N4	C2	C1	H7	118.6°	120.0°
C2	N4	C5	H1	0.1°	0.1°
N4	C2	C1	H4	180.0°	60.0°
N4	C2	C1	H5	60.0°	180.0°
N4	C2	C1	H6	60.0°	60.0°
N4	C2	C3	H8	180.0°	60.0°
N4	C2	C3	H9	60.0°	60.0°
N4	C2	C3	H10	60.0°	180.0°
C12	C11	N10	C14	179.7°	180.0°
C12	C11	C14	O15	1.7°	0.1°
C12	C11	C14	N16	177.7°	180.0°
N10	C11	C14	O15	178.6°	179.9°
N10	C11	C14	N16	2.0°	0.0°
N10	C11	C12	H11	179.7°	180.0°
C3	C2	C1	H7	116.8°	120.0°
C3	C2	C1	H4	55.4°	60.0°
C3	C2	C1	H5	175.4°	60.0°
C3	C2	C1	H6	64.6°	180.0°
C2	C3	H8	H9	120.0°	120.0°
C2	C3	H8	H10	120.0°	120.0°
C2	C3	H9	H10	120.0°	120.0°
C11	C14	O15	N16	179.4°	179.9°
C11	C14	N16	C17	179.8°	175.0°
C14	C11	C12	H11	0.0°	0.0°
C11	C14	N16	H12	0.3°	5.1°
C2	C1	H4	H5	120.0°	120.0°
C2	C1	H4	H6	120.0°	119.9°
C2	C1	H5	H6	120.0°	119.9°
C1	C2	C3	H8	56.6°	60.0°
C1	C2	C3	H9	63.4°	180.0°
C1	C2	C3	H10	176.6°	60.1°
O15	C14	N16	C17	0.8°	5.1°
O15	C14	N16	H12	179.1°	174.8°
C14	N16	C17	H12	180.0°	179.9°
C14	N16	C17	N22	168.5°	4.8°
C14	N16	C17	C18	11.0°	174.9°
N16	C17	N22	C18	179.5°	179.7°
N16	C17	N22	C21	179.6°	179.7°
N16	C17	C18	C19	179.6°	179.7°
N16	C17	C18	H13	0.4°	0.4°
N22	C17	C18	C19	0.1°	0.0°
C17	N22	C21	C20	0.1°	0.0°
C17	N22	C21	H3	179.9°	180.0°
N22	C17	N16	H12	11.5°	175.2°
N22	C17	C18	H13	179.9°	180.0°
C18	C17	N22	C21	0.0°	0.0°
C17	C18	C19	H13	180.0°	179.9°
C17	C18	C19	C20	0.1°	0.1°
C18	C17	N16	H12	169.0°	5.2°
C17	C18	C19	H14	179.9°	180.0°
N22	C21	C20	H3	180.0°	179.9°
N22	C21	C20	C19	0.1°	0.1°
N22	C21	C20	H2	179.9°	180.0°
C18	C19	C20	C21	0.0°	0.1°
C18	C19	C20	H14	180.0°	179.9°
C18	C19	C20	H2	180.0°	180.0°
C21	C20	C19	H2	180.0°	179.9°
C21	C20	C19	H14	180.0°	180.0°
C19	C20	C21	H3	179.9°	180.0°
C20	C19	C18	H13	179.9°	180.0°
H2	C20	C21	H3	0.1°	0.1°
H2	C20	C19	H14	0.0°	0.1°
H4	C1	H5	H6	120.0°	120.1°
H4	C1	C2	H7	61.4°	180.0°
H5	C1	C2	H7	58.6°	60.0°
H6	C1	C2	H7	178.6°	60.0°
H7	C2	C3	H8	60.2°	180.0°
H7	C2	C3	H9	179.9°	60.0°
H7	C2	C3	H10	59.9°	60.0°
H8	C3	H9	H10	120.0°	120.0°
H13	C18	C19	H14	0.1°	0.1°

Release date:	2017-03-29
Definition date:	2017-03-06
Last modified:	2017-03-24
Release status:	REL
Processing site:	RCSB
Derived from:	5V24