NV9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C9	doub	1.32Å	1.34Å	Aromatic
N1	C8	sing	1.32Å	1.33Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.39Å	1.39Å	Aromatic
C10	C11	doub	1.40Å	1.39Å	Aromatic
C7	C11	sing	1.40Å	1.41Å	Aromatic
C7	N	sing	1.40Å	1.41Å
C11	C12	sing	1.48Å	1.49Å
N	C6	sing	1.35Å	1.35Å
CL	C	sing	1.74Å	1.74Å
O	C6	doub	1.21Å	1.23Å
C12	C17	doub	1.39Å	1.40Å	Aromatic
C12	C13	sing	1.39Å	1.40Å	Aromatic
C6	C5	sing	1.51Å	1.52Å
C17	C16	sing	1.38Å	1.39Å	Aromatic
C18	C	doub	1.38Å	1.38Å	Aromatic
C18	C4	sing	1.38Å	1.39Å	Aromatic
C	C1	sing	1.38Å	1.38Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.51Å	1.51Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C1	C2	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C2	H9	sing	1.08Å	1.08Å
C1	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
N	H12	sing	0.97Å	1.00Å
C9	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	N1	C8	117.6°	122.1°
N1	C9	C10	124.0°	121.0°
N1	C9	H13	118.0°	119.5°
N1	C8	C7	123.4°	120.8°
N1	C8	H3	118.3°	119.6°
C9	C10	C11	118.5°	119.1°
C9	C10	H4	120.7°	120.5°
C10	C9	H13	118.0°	119.5°
C8	C7	C11	118.3°	118.9°
C8	C7	N	115.7°	120.6°
C7	C8	H3	118.3°	119.6°
C10	C11	C7	118.2°	118.1°
C10	C11	C12	117.4°	120.9°
C11	C10	H4	120.8°	120.4°
C11	C7	N	123.2°	120.5°
C7	C11	C12	124.3°	121.0°
C7	N	C6	134.9°	120.0°
C7	N	H12	112.5°	120.1°
C11	C12	C17	120.3°	120.1°
C11	C12	C13	121.0°	120.2°
N	C6	O	123.4°	120.0°
N	C6	C5	114.7°	120.0°
C6	N	H12	112.6°	120.0°
CL	C	C18	119.0°	120.0°
CL	C	C1	119.3°	120.0°
O	C6	C5	121.8°	120.0°
C17	C12	C13	118.4°	119.7°
C12	C17	C16	120.7°	119.9°
C12	C17	H7	119.7°	120.1°
C12	C13	C14	120.7°	119.9°
C12	C13	H5	119.7°	120.0°
C6	C5	C4	111.9°	109.5°
C6	C5	H1	108.9°	109.5°
C6	C5	H2	108.9°	109.4°
C17	C16	C15	120.2°	120.1°
C16	C17	H7	119.6°	120.0°
C17	C16	H14	119.9°	119.9°
C	C18	C4	119.7°	120.0°
C18	C	C1	121.7°	119.9°
C	C18	H11	120.2°	119.9°
C18	C4	C5	120.1°	120.0°
C18	C4	C3	118.8°	120.0°
C4	C18	H11	120.1°	120.1°
C	C1	C2	118.6°	120.0°
C	C1	H10	120.7°	120.0°
C13	C14	C15	120.2°	120.2°
C14	C13	H5	119.7°	120.1°
C13	C14	H15	119.9°	119.9°
C5	C4	C3	120.9°	120.0°
C4	C5	H1	108.9°	109.5°
C4	C5	H2	108.9°	109.5°
C4	C3	C2	120.9°	120.0°
C4	C3	H8	119.5°	120.0°
C1	C2	C3	120.2°	120.0°
C1	C2	H9	119.9°	120.0°
C2	C1	H10	120.7°	120.0°
C16	C15	C14	119.8°	120.2°
C16	C15	H6	120.1°	119.9°
C15	C16	H14	119.9°	119.9°
C14	C15	H6	120.1°	119.9°
C15	C14	H15	119.9°	119.9°
C2	C3	H8	119.6°	120.0°
C3	C2	H9	119.9°	120.0°
H1	C5	H2	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C9	C10	H13	180.0°	179.9°
C9	N1	C8	C7	3.0°	0.0°
N1	C9	C10	C11	1.5°	0.0°
C9	N1	C8	H3	177.0°	180.0°
N1	C9	C10	H4	178.6°	180.0°
C8	N1	C9	C10	0.5°	0.0°
N1	C8	C7	H3	180.0°	179.9°
N1	C8	C7	C11	3.3°	0.1°
N1	C8	C7	N	158.5°	180.0°
C8	N1	C9	H13	179.5°	180.0°
C9	C10	C11	H4	180.0°	179.9°
C9	C10	C11	C7	1.1°	0.0°
C9	C10	C11	C12	178.5°	179.9°
C8	C7	C11	C10	1.2°	0.0°
C8	C7	C11	N	160.3°	179.9°
C8	C7	C11	C12	176.1°	180.0°
C8	C7	N	C6	123.5°	24.8°
C8	C7	N	H12	56.4°	155.2°
C10	C11	C7	C12	177.2°	179.9°
C10	C11	C7	N	159.2°	180.0°
C10	C11	C12	C17	42.3°	50.0°
C10	C11	C12	C13	130.1°	130.0°
C11	C10	C9	H13	178.5°	180.0°
C11	C7	N	C6	37.2°	155.2°
C7	C11	C12	C17	140.5°	130.0°
C7	C11	C12	C13	47.2°	50.0°
C11	C7	C8	H3	176.7°	180.0°
C7	C11	C10	H4	179.0°	179.9°
C11	C7	N	H12	142.8°	24.8°
N	C7	C11	C12	23.6°	0.1°
C7	N	C6	H12	180.0°	180.0°
C7	N	C6	O	30.3°	5.5°
C7	N	C6	C5	154.3°	174.5°
N	C7	C8	H3	21.6°	0.1°
C11	C12	C17	C13	172.5°	180.0°
C11	C12	C17	C16	171.0°	179.4°
C11	C12	C13	C14	171.0°	180.0°
C12	C11	C10	H4	1.6°	0.0°
C11	C12	C13	H5	9.0°	0.3°
C11	C12	C17	H7	9.0°	0.3°
N	C6	O	C5	175.0°	180.0°
N	C6	C5	C4	131.6°	180.0°
N	C6	C5	H1	108.0°	60.0°
N	C6	C5	H2	11.3°	60.0°
CL	C	C18	C1	178.3°	179.5°
CL	C	C18	C4	177.7°	180.0°
CL	C	C1	C2	176.1°	179.7°
CL	C	C1	H10	3.9°	0.2°
CL	C	C18	H11	2.3°	0.5°
O	C6	C5	C4	43.8°	0.0°
O	C6	C5	H1	76.5°	120.0°
O	C6	C5	H2	164.2°	120.0°
O	C6	N	H12	149.6°	174.5°
C12	C17	C16	H7	180.0°	179.1°
C17	C12	C13	C14	1.5°	0.0°
C12	C17	C16	C15	0.6°	0.9°
C17	C12	C13	H5	178.5°	179.8°
C12	C17	C16	H14	179.4°	179.2°
C13	C12	C17	C16	1.5°	0.6°
C12	C13	C14	H5	180.0°	179.8°
C12	C13	C14	C15	0.6°	0.2°
C13	C12	C17	H7	178.4°	179.7°
C12	C13	C14	H15	179.4°	179.7°
C6	C5	C4	C18	88.4°	90.3°
C6	C5	C4	H1	120.3°	120.0°
C6	C5	C4	H2	120.4°	120.0°
C6	C5	C4	C3	87.3°	90.0°
C6	C5	H1	H2	118.9°	120.0°
C5	C6	N	H12	25.7°	5.5°
C17	C16	C15	H14	180.0°	180.0°
C17	C16	C15	C14	0.3°	0.6°
C17	C16	C15	H6	179.7°	179.5°
C	C18	C4	H11	180.0°	179.4°
C	C18	C4	C5	174.1°	179.8°
C	C18	C4	C3	1.7°	0.6°
C18	C	C1	C2	2.2°	0.2°
C18	C	C1	H10	177.8°	179.7°
C4	C18	C	C1	0.6°	0.6°
C18	C4	C5	C3	175.7°	179.7°
C18	C4	C3	C2	2.4°	0.2°
C18	C4	C5	H1	151.3°	29.7°
C18	C4	C5	H2	32.0°	149.7°
C18	C4	C3	H8	177.6°	179.7°
C	C1	C2	H10	180.0°	179.9°
C	C1	C2	C3	1.5°	0.1°
C	C1	C2	H9	178.5°	179.9°
C1	C	C18	H11	179.4°	180.0°
C13	C14	C15	C16	0.4°	0.1°
C13	C14	C15	H15	180.0°	180.0°
C13	C14	C15	H6	179.6°	180.0°
C5	C4	C3	C2	173.4°	179.9°
C4	C5	H1	H2	118.9°	120.1°
C5	C4	C3	H8	6.6°	0.0°
C5	C4	C18	H11	5.9°	0.3°
C4	C3	C2	C1	0.8°	0.1°
C4	C3	C2	H8	180.0°	180.0°
C3	C4	C5	H1	33.0°	150.0°
C3	C4	C5	H2	152.3°	30.0°
C4	C3	C2	H9	179.2°	179.9°
C3	C4	C18	H11	178.3°	180.0°
C1	C2	C3	H9	180.0°	179.8°
C1	C2	C3	H8	179.2°	180.0°
C16	C15	C14	H6	180.0°	179.9°
C15	C16	C17	H7	179.3°	180.0°
C16	C15	C14	H15	179.6°	180.0°
C15	C14	C13	H5	179.5°	180.0°
C14	C15	C16	H14	179.6°	179.4°
C3	C2	C1	H10	178.5°	180.0°
H4	C10	C9	H13	1.4°	0.1°
H5	C13	C14	H15	0.6°	0.1°
H6	C15	C16	H14	0.3°	0.5°
H6	C15	C14	H15	0.3°	0.1°
H7	C17	C16	H14	0.6°	0.1°
H8	C3	C2	H9	0.8°	0.1°
H9	C2	C1	H10	1.5°	0.1°

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