OV5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.57Å
C2	N3	sing	1.47Å	1.47Å
N3	C4	sing	1.35Å	1.34Å
O5	C4	doub	1.22Å	1.23Å
C4	C6	sing	1.48Å	1.39Å
C6	C7	doub	1.40Å	1.39Å	Aromatic
C6	C11	sing	1.40Å	1.39Å	Aromatic
C7	C8	sing	1.37Å	1.39Å	Aromatic
C11	N10	doub	1.32Å	1.42Å	Aromatic
C8	C9	doub	1.39Å	1.39Å	Aromatic
N10	C9	sing	1.33Å	1.35Å	Aromatic
C9	N12	sing	1.39Å	1.35Å
N12	C13	sing	1.39Å	1.36Å
C14	C13	doub	1.40Å	1.41Å	Aromatic
C14	C15	sing	1.39Å	1.39Å	Aromatic
C13	C22	sing	1.39Å	1.35Å	Aromatic
C27	C26	doub	1.38Å	1.39Å	Aromatic
C27	C28	sing	1.38Å	1.39Å	Aromatic
C26	C24	sing	1.38Å	1.39Å	Aromatic
C28	C29	doub	1.38Å	1.39Å	Aromatic
C24	F25	sing	1.35Å	1.36Å
C24	C23	doub	1.40Å	1.41Å	Aromatic
C29	C23	sing	1.40Å	1.41Å	Aromatic
C29	CL30	sing	1.74Å	1.79Å
C23	C15	sing	1.48Å	1.40Å
C15	N16	doub	1.33Å	1.37Å	Aromatic
O21	C20	doub	1.21Å	1.23Å
C22	C20	sing	1.48Å	1.34Å
C22	C17	doub	1.41Å	1.35Å	Aromatic
C20	N19	sing	1.35Å	1.33Å
N16	C17	sing	1.32Å	1.39Å	Aromatic
C17	C18	sing	1.48Å	1.34Å
N19	C18	doub	1.30Å	1.34Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C27	H10	sing	1.08Å	1.08Å
C28	H11	sing	1.08Å	1.08Å
C26	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
N12	H14	sing	0.97Å	1.00Å
N3	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	N3	107.3°	109.4°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H4	110.0°	109.5°
C1	C2	H5	110.0°	109.5°
C2	N3	C4	118.0°	120.0°
N3	C2	H4	110.0°	109.5°
N3	C2	H5	110.0°	109.5°
C2	N3	H15	121.0°	120.0°
N3	C4	O5	121.7°	120.0°
N3	C4	C6	119.8°	120.0°
C4	N3	H15	121.0°	120.0°
O5	C4	C6	118.4°	120.0°
C4	C6	C7	117.9°	120.5°
C4	C6	C11	123.7°	120.5°
C7	C6	C11	118.3°	119.1°
C6	C7	C8	119.7°	118.5°
C6	C7	H6	120.2°	120.8°
C6	C11	N10	120.3°	120.5°
C6	C11	H8	119.8°	119.8°
C7	C8	C9	122.6°	119.4°
C8	C7	H6	120.1°	120.7°
C7	C8	H7	118.7°	120.4°
C11	N10	C9	121.6°	121.7°
N10	C11	H8	119.9°	119.7°
C8	C9	N10	117.5°	120.9°
C8	C9	N12	116.6°	119.6°
C9	C8	H7	118.7°	120.2°
N10	C9	N12	125.9°	119.5°
C9	N12	C13	124.5°	120.0°
C9	N12	H14	117.7°	120.0°
N12	C13	C14	125.5°	121.1°
N12	C13	C22	115.3°	121.1°
C13	N12	H14	117.8°	119.9°
C13	C14	C15	120.7°	119.1°
C14	C13	C22	119.2°	117.9°
C13	C14	H13	119.6°	120.5°
C14	C15	C23	120.7°	119.4°
C14	C15	N16	118.3°	121.3°
C15	C14	H13	119.7°	120.4°
C13	C22	C20	133.9°	135.0°
C13	C22	C17	120.8°	119.6°
C26	C27	C28	119.1°	120.3°
C27	C26	C24	120.6°	120.1°
C26	C27	H10	120.4°	119.8°
C27	C26	H12	119.7°	119.9°
C27	C28	C29	121.6°	120.2°
C28	C27	H10	120.4°	119.8°
C27	C28	H11	119.2°	119.9°
C26	C24	F25	117.3°	120.0°
C26	C24	C23	120.5°	119.8°
C24	C26	H12	119.7°	120.0°
C28	C29	C23	119.5°	119.9°
C28	C29	CL30	116.9°	120.1°
C29	C28	H11	119.2°	119.9°
F25	C24	C23	122.3°	120.1°
C24	C23	C29	118.7°	119.7°
C24	C23	C15	121.8°	120.1°
C23	C29	CL30	123.6°	120.0°
C29	C23	C15	119.4°	120.2°
C23	C15	N16	121.1°	119.3°
C15	N16	C17	119.8°	121.6°
O21	C20	C22	125.4°	126.0°
O21	C20	N19	123.7°	126.0°
C20	C22	C17	105.3°	105.4°
C22	C20	N19	110.9°	108.1°
C22	C17	N16	121.2°	120.5°
C22	C17	C18	108.9°	105.3°
C20	N19	C18	106.5°	111.9°
N16	C17	C18	129.9°	134.2°
C17	C18	N19	108.4°	109.3°
C17	C18	H9	125.8°	125.4°
N19	C18	H9	125.8°	125.3°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.4°
H2	C1	H3	109.4°	109.5°
H4	C2	H5	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	N3	H4	119.7°	120.0°
C1	C2	N3	H5	119.6°	120.0°
C1	C2	N3	C4	142.7°	180.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.1°
C1	C2	H4	H5	121.0°	120.0°
C1	C2	N3	H15	37.3°	0.0°
C2	N3	C4	H15	180.0°	180.0°
C2	N3	C4	O5	0.4°	0.0°
C2	N3	C4	C6	177.0°	180.0°
N3	C2	C1	H1	180.0°	180.0°
N3	C2	C1	H2	60.0°	60.0°
N3	C2	C1	H3	60.0°	60.0°
N3	C2	H4	H5	121.0°	120.0°
N3	C4	O5	C6	176.6°	180.0°
N3	C4	C6	C7	141.4°	180.0°
N3	C4	C6	C11	43.2°	0.3°
C4	N3	C2	H4	97.7°	60.0°
C4	N3	C2	H5	23.0°	60.0°
O5	C4	C6	C7	42.0°	0.0°
O5	C4	C6	C11	133.5°	179.7°
O5	C4	N3	H15	179.6°	180.0°
C4	C6	C7	C11	175.7°	179.7°
C4	C6	C7	C8	177.8°	179.9°
C4	C6	C11	N10	177.2°	180.0°
C4	C6	C7	H6	2.2°	0.1°
C4	C6	C11	H8	2.8°	0.1°
C6	C4	N3	H15	3.1°	0.0°
C6	C7	C8	H6	180.0°	180.0°
C7	C6	C11	N10	1.7°	0.3°
C6	C7	C8	C9	0.5°	0.0°
C6	C7	C8	H7	179.5°	180.0°
C7	C6	C11	H8	178.3°	179.8°
C11	C6	C7	C8	2.0°	0.2°
C6	C11	N10	H8	180.0°	179.9°
C6	C11	N10	C9	0.1°	0.0°
C11	C6	C7	H6	178.0°	179.8°
C7	C8	C9	H7	180.0°	179.9°
C7	C8	C9	N10	1.3°	0.3°
C7	C8	C9	N12	179.6°	180.0°
C11	N10	C9	C8	1.5°	0.3°
C11	N10	C9	N12	179.4°	180.0°
C8	C9	N10	N12	179.0°	179.7°
C8	C9	N12	C13	168.3°	5.5°
C9	C8	C7	H6	179.4°	180.0°
C8	C9	N12	H14	11.7°	174.5°
N10	C9	N12	C13	12.6°	174.2°
N10	C9	C8	H7	178.7°	179.7°
C9	N10	C11	H8	179.9°	179.9°
N10	C9	N12	H14	167.3°	5.8°
C9	N12	C13	H14	180.0°	180.0°
C9	N12	C13	C14	11.1°	106.9°
C9	N12	C13	C22	169.3°	73.0°
N12	C9	C8	H7	0.4°	0.0°
N12	C13	C14	C22	179.6°	179.9°
N12	C13	C14	C15	179.0°	179.9°
N12	C13	C22	C20	0.5°	0.8°
N12	C13	C22	C17	179.1°	179.7°
N12	C13	C14	H13	1.0°	0.0°
C13	C14	C15	H13	180.0°	179.9°
C13	C14	C15	C23	179.4°	179.7°
C13	C14	C15	N16	0.9°	0.0°
C14	C13	C22	C20	179.9°	179.1°
C14	C13	C22	C17	1.3°	0.2°
C14	C13	N12	H14	168.9°	73.1°
C15	C14	C13	C22	1.4°	0.0°
C14	C15	C23	C24	63.9°	48.8°
C14	C15	C23	C29	113.3°	131.5°
C14	C15	C23	N16	178.4°	179.7°
C14	C15	N16	C17	0.3°	0.3°
C13	C22	C20	O21	1.9°	0.7°
C13	C22	C20	C17	178.7°	179.0°
C13	C22	C20	N19	179.5°	179.8°
C13	C22	C17	N16	0.7°	0.5°
C13	C22	C17	C18	179.4°	179.9°
C22	C13	C14	H13	178.6°	179.9°
C22	C13	N12	H14	10.7°	107.0°
C26	C27	C28	H10	180.0°	179.7°
C27	C26	C24	H12	180.0°	179.6°
C26	C27	C28	C29	0.2°	0.3°
C27	C26	C24	F25	179.6°	180.0°
C27	C26	C24	C23	0.4°	0.1°
C26	C27	C28	H11	179.8°	180.0°
C28	C27	C26	C24	0.4°	0.3°
C27	C28	C29	H11	180.0°	179.8°
C27	C28	C29	C23	0.7°	0.0°
C27	C28	C29	CL30	179.8°	179.9°
C28	C27	C26	H12	179.5°	180.0°
C26	C24	F25	C23	179.2°	179.9°
C26	C24	C23	C29	1.3°	0.2°
C26	C24	C23	C15	178.6°	179.9°
C24	C26	C27	H10	179.6°	180.0°
C28	C29	C23	C24	1.5°	0.3°
C28	C29	C23	CL30	179.5°	179.9°
C28	C29	C23	C15	178.8°	180.0°
C29	C28	C27	H10	179.8°	180.0°
F25	C24	C23	C29	179.5°	179.7°
F25	C24	C23	C15	2.3°	0.0°
F25	C24	C26	H12	0.4°	0.3°
C24	C23	C29	C15	177.3°	179.7°
C24	C23	C29	CL30	179.0°	179.8°
C24	C23	C15	N16	117.7°	131.5°
C23	C24	C26	H12	179.7°	179.7°
C29	C23	C15	N16	65.1°	48.2°
C23	C29	C28	H11	179.3°	179.7°
CL30	C29	C23	C15	1.7°	0.1°
CL30	C29	C28	H11	0.2°	0.2°
C23	C15	N16	C17	178.8°	180.0°
C23	C15	C14	H13	0.6°	0.4°
C15	N16	C17	C22	0.2°	0.5°
C15	N16	C17	C18	179.9°	180.0°
N16	C15	C14	H13	179.1°	179.9°
O21	C20	C22	N19	178.6°	179.5°
O21	C20	C22	C17	179.4°	179.8°
O21	C20	N19	C18	179.4°	180.0°
C20	C22	C17	N16	179.6°	179.7°
C20	C22	C17	C18	0.4°	0.7°
C22	C20	N19	C18	0.8°	0.5°
C17	C22	C20	N19	0.8°	0.8°
C22	C17	N16	C18	179.9°	179.4°
C22	C17	C18	N19	0.0°	0.5°
C22	C17	C18	H9	180.0°	179.5°
C20	N19	C18	C17	0.5°	0.0°
C20	N19	C18	H9	179.5°	180.0°
N16	C17	C18	N19	179.9°	180.0°
N16	C17	C18	H9	0.1°	0.0°
C17	C18	N19	H9	180.0°	180.0°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H4	60.3°	60.0°
H1	C1	C2	H5	60.4°	60.0°
H2	C1	C2	H4	59.7°	59.9°
H2	C1	C2	H5	179.6°	179.9°
H3	C1	C2	H4	179.6°	180.0°
H3	C1	C2	H5	59.7°	60.0°
H4	C2	N3	H15	82.3°	120.0°
H5	C2	N3	H15	157.0°	120.0°
H6	C7	C8	H7	0.6°	0.0°
H10	C27	C28	H11	0.2°	0.3°
H10	C27	C26	H12	0.5°	0.3°

Release date:	2022-08-24
Definition date:	2022-05-16
Last modified:	2022-08-19
Release status:	REL
Processing site:	RCSB
Derived from:	7UYT