XRV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C13	sing	1.35Å	1.37Å
C14	C13	doub	1.39Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.37Å	Aromatic
C15	C10	doub	1.39Å	1.40Å	Aromatic
C12	C11	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.39Å	1.40Å	Aromatic
C10	N3	sing	1.40Å	1.44Å
N2	N3	sing	1.40Å	1.36Å	Aromatic
N2	C8	doub	1.31Å	1.32Å	Aromatic
N3	C9	sing	1.35Å	1.35Å	Aromatic
N7	C2	sing	1.39Å	1.35Å
C8	C7	sing	1.40Å	1.44Å	Aromatic
N1	C2	doub	1.32Å	1.36Å	Aromatic
N1	C3	sing	1.33Å	1.34Å	Aromatic
C2	C1	sing	1.40Å	1.41Å	Aromatic
C3	N6	sing	1.35Å	1.39Å	Aromatic
C3	C4	doub	1.41Å	1.39Å	Aromatic
N6	N5	doub	1.29Å	1.39Å	Aromatic
C9	C7	doub	1.35Å	1.39Å	Aromatic
C1	C5	doub	1.37Å	1.40Å	Aromatic
C7	C6	sing	1.51Å	1.50Å
C4	C5	sing	1.39Å	1.40Å	Aromatic
C4	N4	sing	1.37Å	1.41Å	Aromatic
N5	N4	sing	1.29Å	1.27Å	Aromatic
C5	C6	sing	1.51Å	1.51Å
C15	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.08Å	1.08Å
N4	H10	sing	0.97Å	1.00Å
N7	H11	sing	0.97Å	1.00Å
N7	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C13	C14	118.6°	119.9°
F	C13	C12	118.3°	120.0°
C13	C14	C15	118.4°	120.0°
C14	C13	C12	123.2°	120.1°
C13	C14	H4	120.8°	120.0°
C14	C15	C10	120.1°	120.0°
C14	C15	H1	119.9°	120.0°
C15	C14	H4	120.8°	120.0°
C13	C12	C11	118.3°	120.1°
C13	C12	H3	120.8°	120.0°
C15	C10	C11	119.6°	119.9°
C15	C10	N3	120.2°	120.1°
C10	C15	H1	120.0°	120.0°
C12	C11	C10	120.4°	119.9°
C12	C11	H2	119.8°	120.0°
C11	C12	H3	120.9°	120.0°
C11	C10	N3	120.1°	120.0°
C10	C11	H2	119.8°	120.0°
C10	N3	N2	121.4°	126.1°
C10	N3	C9	128.6°	126.1°
N3	N2	C8	106.7°	108.2°
N2	N3	C9	110.0°	107.9°
N2	C8	C7	111.3°	108.2°
N2	C8	H5	124.4°	125.8°
N3	C9	C7	109.3°	107.7°
N3	C9	H6	125.3°	126.1°
N7	C2	N1	116.5°	119.3°
N7	C2	C1	121.7°	119.4°
C2	N7	H11	109.5°	120.0°
C2	N7	H12	109.5°	119.9°
C8	C7	C9	102.6°	107.9°
C8	C7	C6	129.7°	126.0°
C7	C8	H5	124.3°	125.9°
C2	N1	C3	115.3°	121.1°
N1	C2	C1	121.8°	121.3°
N1	C3	N6	128.9°	134.4°
N1	C3	C4	127.1°	120.1°
C2	C1	C5	121.6°	119.7°
C2	C1	H9	119.2°	120.2°
N6	C3	C4	104.0°	105.5°
C3	N6	N5	108.3°	109.4°
C3	C4	C5	117.4°	119.5°
C3	C4	N4	109.0°	105.4°
N6	N5	N4	111.0°	111.7°
C9	C7	C6	127.5°	126.0°
C7	C9	H6	125.3°	126.1°
C1	C5	C4	116.7°	118.3°
C1	C5	C6	120.8°	120.8°
C5	C1	H9	119.2°	120.2°
C7	C6	C5	111.7°	109.5°
C7	C6	H7	108.9°	109.5°
C7	C6	H8	108.9°	109.4°
C5	C4	N4	133.6°	135.1°
C4	C5	C6	122.4°	120.8°
C4	N4	N5	107.7°	108.1°
C4	N4	H10	126.2°	125.9°
N5	N4	H10	126.1°	126.0°
C5	C6	H7	108.9°	109.5°
C5	C6	H8	108.9°	109.5°
H7	C6	H8	109.5°	109.4°
H11	N7	H12	109.4°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C13	C14	C12	178.9°	179.7°
F	C13	C14	C15	178.8°	179.7°
F	C13	C12	C11	178.7°	180.0°
F	C13	C12	H3	1.3°	0.0°
F	C13	C14	H4	1.2°	0.3°
C13	C14	C15	H4	180.0°	179.9°
C13	C14	C15	C10	0.3°	0.0°
C14	C13	C12	C11	0.1°	0.3°
C13	C14	C15	H1	179.7°	179.8°
C14	C13	C12	H3	179.9°	179.7°
C15	C14	C13	C12	0.1°	0.0°
C14	C15	C10	H1	180.0°	179.8°
C14	C15	C10	C11	0.7°	0.2°
C14	C15	C10	N3	179.3°	179.7°
C13	C12	C11	H3	180.0°	180.0°
C13	C12	C11	C10	0.5°	0.5°
C13	C12	C11	H2	179.5°	180.0°
C12	C13	C14	H4	179.9°	180.0°
C15	C10	C11	C12	0.8°	0.5°
C15	C10	C11	N3	180.0°	179.9°
C15	C10	N3	N2	6.3°	0.2°
C15	C10	N3	C9	175.8°	180.0°
C15	C10	C11	H2	179.2°	179.9°
C10	C15	C14	H4	179.6°	179.9°
C12	C11	C10	H2	180.0°	179.4°
C12	C11	C10	N3	179.2°	179.4°
C11	C10	N3	N2	173.7°	179.7°
C11	C10	N3	C9	4.3°	0.0°
C11	C10	C15	H1	179.3°	180.0°
C10	C11	C12	H3	179.5°	179.5°
C10	N3	N2	C9	178.3°	179.8°
C10	N3	N2	C8	178.3°	179.9°
C10	N3	C9	C7	179.1°	179.8°
N3	C10	C15	H1	0.8°	0.1°
N3	C10	C11	H2	0.9°	0.0°
C10	N3	C9	H6	0.9°	0.0°
N3	N2	C8	C7	0.8°	0.0°
N2	N3	C9	C7	0.9°	0.4°
N3	N2	C8	H5	179.2°	180.0°
N2	N3	C9	H6	179.0°	179.8°
C8	N2	N3	C9	0.0°	0.3°
N2	C8	C7	H5	180.0°	180.0°
N2	C8	C7	C9	1.4°	0.3°
N2	C8	C7	C6	174.1°	180.0°
N3	C9	C7	C8	1.3°	0.5°
N3	C9	C7	H6	180.0°	179.8°
N3	C9	C7	C6	174.2°	179.9°
N7	C2	N1	C1	177.5°	179.7°
N7	C2	N1	C3	175.3°	180.0°
N7	C2	C1	C5	176.8°	179.7°
N7	C2	C1	H9	3.3°	0.3°
C2	N7	H11	H12	120.0°	179.9°
C8	C7	C9	C6	175.6°	179.7°
C8	C7	C6	C5	49.8°	90.0°
C8	C7	C9	H6	178.6°	179.8°
C8	C7	C6	H7	70.5°	150.0°
C8	C7	C6	H8	170.2°	30.0°
C2	N1	C3	N6	177.9°	179.8°
C2	N1	C3	C4	1.6°	0.3°
N1	C2	C1	C5	0.6°	0.0°
N1	C2	C1	H9	179.4°	180.0°
N1	C2	N7	H11	0.0°	0.1°
N1	C2	N7	H12	120.0°	180.0°
C3	N1	C2	C1	2.2°	0.3°
N1	C3	N6	C4	179.6°	180.0°
N1	C3	N6	N5	179.5°	180.0°
N1	C3	C4	C5	0.7°	0.0°
N1	C3	C4	N4	179.3°	180.0°
C2	C1	C5	H9	180.0°	180.0°
C2	C1	C5	C4	1.7°	0.2°
C2	C1	C5	C6	175.2°	179.9°
C1	C2	N7	H11	177.5°	179.6°
C1	C2	N7	H12	57.5°	0.3°
N6	C3	C4	C5	179.7°	180.0°
N6	C3	C4	N4	0.3°	0.1°
C3	N6	N5	N4	0.1°	0.0°
C4	C3	N6	N5	0.1°	0.0°
C3	C4	C5	C1	2.3°	0.2°
C3	C4	C5	N4	180.0°	179.9°
C3	C4	N4	N5	0.4°	0.0°
C3	C4	C5	C6	174.6°	179.9°
C3	C4	N4	H10	179.6°	180.0°
N6	N5	N4	C4	0.3°	0.0°
N6	N5	N4	H10	179.7°	179.9°
C9	C7	C6	C5	124.6°	89.6°
C9	C7	C8	H5	178.7°	179.7°
C9	C7	C6	H7	115.1°	30.4°
C9	C7	C6	H8	4.2°	150.4°
C1	C5	C6	C7	90.1°	95.0°
C1	C5	C4	C6	176.9°	179.7°
C1	C5	C4	N4	177.8°	179.7°
C1	C5	C6	H7	149.5°	144.9°
C1	C5	C6	H8	30.2°	25.0°
C7	C6	C5	C4	86.6°	84.7°
C7	C6	C5	H7	120.3°	120.0°
C7	C6	C5	H8	120.3°	120.0°
C6	C7	C8	H5	5.9°	0.1°
C6	C7	C9	H6	5.8°	0.1°
C7	C6	H7	H8	119.0°	120.0°
C5	C4	N4	N5	179.6°	180.0°
C4	C5	C6	H7	33.7°	35.3°
C4	C5	C6	H8	153.1°	155.3°
C4	C5	C1	H9	178.3°	179.8°
C5	C4	N4	H10	0.4°	0.1°
C4	N4	N5	H10	180.0°	179.9°
N4	C4	C5	C6	5.4°	0.0°
C5	C6	H7	H8	119.0°	120.0°
C6	C5	C1	H9	4.7°	0.0°
H1	C15	C14	H4	0.4°	0.2°
H2	C11	C12	H3	0.5°	0.0°

Release date:	2021-04-21
Definition date:	2021-01-08
Last modified:	2021-04-16
Release status:	REL
Processing site:	RCSB
Derived from:	7LAE