MVR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C10	doub	1.32Å	1.34Å	Aromatic
N2	C11	sing	1.32Å	1.34Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C11	C7	doub	1.38Å	1.39Å	Aromatic
C9	C8	doub	1.39Å	1.38Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
C7	C6	sing	1.51Å	1.51Å
C6	C5	sing	1.51Å	1.52Å
O	C5	doub	1.21Å	1.23Å
C5	N1	sing	1.35Å	1.36Å
C2	C1	doub	1.35Å	1.36Å	Aromatic
C2	C3	sing	1.40Å	1.43Å	Aromatic
N1	C4	sing	1.46Å	1.46Å
N1	C12	sing	1.40Å	1.43Å
C1	N	sing	1.35Å	1.38Å	Aromatic
C4	C3	sing	1.51Å	1.50Å
C3	N4	doub	1.31Å	1.34Å	Aromatic
C17	C12	doub	1.39Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.39Å	1.39Å	Aromatic
C16	C15	doub	1.39Å	1.40Å	Aromatic
N	N4	sing	1.40Å	1.36Å	Aromatic
N	C	sing	1.47Å	1.46Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C15	C14	sing	1.39Å	1.40Å	Aromatic
C15	C18	sing	1.48Å	1.48Å
C18	N3	doub	1.33Å	1.35Å	Aromatic
C18	C19	sing	1.39Å	1.39Å	Aromatic
N3	C22	sing	1.32Å	1.35Å	Aromatic
C19	C20	doub	1.38Å	1.38Å	Aromatic
C22	C21	doub	1.38Å	1.38Å	Aromatic
C20	C21	sing	1.39Å	1.38Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
C2	H14	sing	1.08Å	1.08Å
C1	H15	sing	1.08Å	1.08Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å
C16	H19	sing	1.08Å	1.08Å
C14	H20	sing	1.08Å	1.08Å
C19	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	N2	C11	117.3°	121.8°
N2	C10	C9	123.3°	120.7°
N2	C10	H6	118.3°	119.7°
N2	C11	C7	124.0°	120.7°
N2	C11	H12	118.0°	119.6°
C10	C9	C8	118.2°	119.2°
C9	C10	H6	118.4°	119.6°
C10	C9	H13	120.9°	120.4°
C11	C7	C8	117.2°	119.2°
C11	C7	C6	121.0°	120.4°
C7	C11	H12	118.0°	119.6°
C9	C8	C7	120.0°	118.4°
C9	C8	H5	120.0°	120.8°
C8	C9	H13	120.9°	120.4°
C8	C7	C6	121.7°	120.4°
C7	C8	H5	120.0°	120.8°
C7	C6	C5	113.0°	109.5°
C7	C6	H3	108.6°	109.5°
C7	C6	H4	108.6°	109.5°
C6	C5	O	120.6°	120.0°
C6	C5	N1	117.5°	120.0°
C5	C6	H3	108.6°	109.4°
C5	C6	H4	108.6°	109.4°
O	C5	N1	121.9°	120.0°
C5	N1	C4	118.2°	120.0°
C5	N1	C12	123.6°	120.0°
C1	C2	C3	105.3°	107.9°
C2	C1	N	106.7°	107.7°
C1	C2	H14	127.3°	126.1°
C2	C1	H15	126.6°	126.1°
C2	C3	C4	128.8°	125.9°
C2	C3	N4	111.2°	108.2°
C3	C2	H14	127.4°	126.0°
C4	N1	C12	118.2°	120.0°
N1	C4	C3	112.2°	109.5°
N1	C4	H1	108.8°	109.5°
N1	C4	H2	108.8°	109.5°
N1	C12	C17	120.7°	119.9°
N1	C12	C13	120.0°	120.0°
C1	N	N4	112.4°	108.0°
C1	N	C	128.2°	126.0°
N	C1	H15	126.7°	126.2°
C4	C3	N4	119.9°	125.9°
C3	C4	H1	108.8°	109.5°
C3	C4	H2	108.8°	109.4°
C3	N4	N	104.4°	108.2°
C12	C17	C16	120.1°	120.0°
C17	C12	C13	119.1°	120.1°
C12	C17	H8	119.9°	120.0°
C17	C16	C15	121.1°	119.9°
C16	C17	H8	119.9°	120.0°
C17	C16	H19	119.4°	120.0°
C12	C13	C14	120.2°	120.1°
C12	C13	H7	119.9°	120.0°
C16	C15	C14	118.1°	119.9°
C16	C15	C18	120.9°	120.1°
C15	C16	H19	119.5°	120.0°
N4	N	C	119.4°	126.1°
N	C	H16	109.5°	109.5°
N	C	H17	109.5°	109.5°
N	C	H18	109.5°	109.5°
C13	C14	C15	121.2°	120.0°
C14	C13	H7	119.9°	120.0°
C13	C14	H20	119.4°	120.0°
C14	C15	C18	120.9°	120.1°
C15	C14	H20	119.4°	120.0°
C15	C18	N3	116.0°	119.7°
C15	C18	C19	121.6°	119.7°
N3	C18	C19	122.2°	120.6°
C18	N3	C22	117.6°	121.6°
C18	C19	C20	118.8°	119.0°
C18	C19	H21	120.6°	120.5°
N3	C22	C21	123.7°	120.9°
N3	C22	H11	118.1°	119.5°
C19	C20	C21	119.6°	118.5°
C19	C20	H9	120.2°	120.7°
C20	C19	H21	120.6°	120.5°
C22	C21	C20	118.0°	119.4°
C22	C21	H10	121.0°	120.3°
C21	C22	H11	118.1°	119.6°
C21	C20	H9	120.2°	120.8°
C20	C21	H10	121.0°	120.3°
H1	C4	H2	109.5°	109.4°
H3	C6	H4	109.5°	109.5°
H16	C	H17	109.4°	109.4°
H16	C	H18	109.5°	109.5°
H17	C	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C10	C9	H6	180.0°	179.4°
C10	N2	C11	C7	0.0°	0.0°
N2	C10	C9	C8	0.4°	0.6°
C10	N2	C11	H12	180.0°	180.0°
N2	C10	C9	H13	179.6°	180.0°
C11	N2	C10	C9	0.6°	0.3°
N2	C11	C7	H12	180.0°	180.0°
N2	C11	C7	C8	0.7°	0.0°
N2	C11	C7	C6	176.2°	179.7°
C11	N2	C10	H6	179.5°	179.7°
C10	C9	C8	H13	180.0°	179.4°
C10	C9	C8	C7	0.3°	0.5°
C10	C9	C8	H5	179.7°	179.4°
C11	C7	C8	C9	0.8°	0.2°
C11	C7	C8	C6	176.9°	179.8°
C11	C7	C6	C5	95.6°	90.3°
C11	C7	C6	H3	143.9°	149.8°
C11	C7	C6	H4	25.0°	29.7°
C11	C7	C8	H5	179.2°	179.7°
C9	C8	C7	H5	180.0°	180.0°
C9	C8	C7	C6	176.0°	180.0°
C8	C9	C10	H6	179.6°	180.0°
C8	C7	C6	C5	87.7°	90.0°
C8	C7	C6	H3	32.8°	30.0°
C8	C7	C6	H4	151.8°	150.0°
C8	C7	C11	H12	179.3°	179.9°
C7	C8	C9	H13	179.6°	179.9°
C7	C6	C5	H3	120.5°	120.0°
C7	C6	C5	H4	120.5°	120.0°
C7	C6	C5	O	22.0°	0.0°
C7	C6	C5	N1	159.5°	180.0°
C7	C6	H3	H4	118.4°	120.1°
C6	C7	C8	H5	3.9°	0.0°
C6	C7	C11	H12	3.8°	0.3°
C6	C5	O	N1	178.4°	180.0°
C6	C5	N1	C4	162.3°	5.1°
C6	C5	N1	C12	16.7°	174.6°
C5	C6	H3	H4	118.4°	119.9°
O	C5	N1	C4	16.2°	174.9°
O	C5	N1	C12	164.9°	5.4°
O	C5	C6	H3	142.5°	120.0°
O	C5	C6	H4	98.5°	120.0°
C5	N1	C4	C12	179.0°	179.7°
C5	N1	C4	C3	123.0°	89.7°
C5	N1	C12	C17	86.9°	112.2°
C5	N1	C12	C13	98.4°	67.8°
C5	N1	C4	H1	2.6°	30.3°
C5	N1	C4	H2	116.6°	150.3°
N1	C5	C6	H3	39.0°	60.0°
N1	C5	C6	H4	80.0°	60.0°
C1	C2	C3	H14	180.0°	179.9°
C2	C1	N	H15	180.0°	180.0°
C1	C2	C3	C4	174.8°	180.0°
C1	C2	C3	N4	0.7°	0.2°
C2	C1	N	N4	0.2°	0.2°
C2	C1	N	C	178.8°	180.0°
C2	C3	C4	N1	78.4°	95.2°
C3	C2	C1	N	0.3°	0.0°
C2	C3	C4	N4	175.2°	179.8°
C2	C3	N4	N	0.8°	0.3°
C2	C3	C4	H1	42.0°	24.8°
C2	C3	C4	H2	161.2°	144.8°
C3	C2	C1	H15	179.7°	180.0°
N1	C4	C3	H1	120.4°	120.0°
N1	C4	C3	H2	120.4°	120.0°
N1	C4	C3	N4	96.8°	85.0°
C4	N1	C12	C17	92.0°	68.0°
C4	N1	C12	C13	82.7°	112.0°
N1	C4	H1	H2	118.7°	120.0°
C12	N1	C4	C3	56.0°	90.0°
N1	C12	C17	C13	174.7°	180.0°
N1	C12	C17	C16	172.9°	179.5°
N1	C12	C13	C14	172.8°	180.0°
C12	N1	C4	H1	176.4°	150.0°
C12	N1	C4	H2	64.4°	30.0°
N1	C12	C13	H7	7.2°	0.3°
N1	C12	C17	H8	7.1°	0.0°
C1	N	N4	C3	0.6°	0.3°
C1	N	N4	C	179.1°	179.8°
N	C1	C2	H14	179.7°	179.9°
C1	N	C	H16	178.9°	90.1°
C1	N	C	H17	58.9°	149.9°
C1	N	C	H18	61.1°	29.9°
C4	C3	N4	N	175.2°	179.9°
C3	C4	H1	H2	118.8°	119.9°
C4	C3	C2	H14	5.2°	0.1°
C3	N4	N	C	178.5°	179.8°
N4	C3	C4	H1	142.8°	155.0°
N4	C3	C4	H2	23.6°	35.0°
N4	C3	C2	H14	179.3°	179.7°
C12	C17	C16	H8	180.0°	179.5°
C12	C17	C16	C15	0.0°	0.7°
C17	C12	C13	C14	2.0°	0.0°
C17	C12	C13	H7	178.0°	179.7°
C12	C17	C16	H19	180.0°	180.0°
C16	C17	C12	C13	1.9°	0.5°
C17	C16	C15	H19	180.0°	179.4°
C17	C16	C15	C14	1.7°	0.4°
C17	C16	C15	C18	175.3°	179.5°
C12	C13	C14	H7	180.0°	179.8°
C12	C13	C14	C15	0.2°	0.2°
C13	C12	C17	H8	178.1°	180.0°
C12	C13	C14	H20	179.8°	179.7°
C16	C15	C14	C13	1.6°	0.0°
C16	C15	C14	C18	177.0°	179.9°
C16	C15	C18	N3	36.3°	180.0°
C16	C15	C18	C19	147.5°	0.0°
C15	C16	C17	H8	180.0°	179.8°
C16	C15	C14	H20	178.3°	179.9°
N4	N	C1	H15	179.8°	179.8°
N4	N	C	H16	0.0°	89.8°
N4	N	C	H17	120.0°	30.2°
N4	N	C	H18	120.0°	150.2°
C	N	C1	H15	1.2°	0.0°
N	C	H16	H17	120.0°	120.0°
N	C	H16	H18	120.0°	120.0°
N	C	H17	H18	120.0°	120.0°
C13	C14	C15	H20	180.0°	180.0°
C13	C14	C15	C18	175.4°	180.0°
C14	C15	C18	N3	140.6°	0.0°
C14	C15	C18	C19	35.6°	180.0°
C15	C14	C13	H7	179.8°	180.0°
C14	C15	C16	H19	178.3°	179.8°
C15	C18	N3	C19	176.2°	180.0°
C15	C18	N3	C22	175.1°	180.0°
C15	C18	C19	C20	174.6°	180.0°
C18	C15	C16	H19	4.7°	0.2°
C18	C15	C14	H20	4.6°	0.0°
C15	C18	C19	H21	5.5°	0.0°
N3	C18	C19	C20	1.4°	0.0°
C18	N3	C22	C21	0.1°	0.0°
C18	N3	C22	H11	179.9°	180.0°
N3	C18	C19	H21	178.6°	180.0°
C19	C18	N3	C22	1.1°	0.0°
C18	C19	C20	H21	180.0°	180.0°
C18	C19	C20	C21	0.6°	0.0°
C18	C19	C20	H9	179.4°	180.0°
N3	C22	C21	H11	180.0°	180.0°
N3	C22	C21	C20	0.6°	0.1°
N3	C22	C21	H10	179.4°	179.9°
C19	C20	C21	C22	0.3°	0.1°
C19	C20	C21	H9	180.0°	180.0°
C19	C20	C21	H10	179.7°	179.9°
C22	C21	C20	H10	180.0°	180.0°
C22	C21	C20	H9	179.6°	180.0°
C20	C21	C22	H11	179.3°	179.9°
C21	C20	C19	H21	179.3°	180.0°
H5	C8	C9	H13	0.3°	0.0°
H6	C10	C9	H13	0.4°	0.6°
H7	C13	C14	H20	0.2°	0.1°
H8	C17	C16	H19	0.0°	0.4°
H9	C20	C21	H10	0.4°	0.1°
H9	C20	C19	H21	0.6°	0.0°
H10	C21	C22	H11	0.6°	0.1°
H14	C2	C1	H15	0.3°	0.1°
H16	C	H17	H18	120.0°	120.0°

Release date:	2023-11-08
Definition date:	2023-08-16
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GDO