ZVE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	sing	1.53Å	1.52Å
C8	C7	sing	1.53Å	1.53Å
C9	N3	sing	1.47Å	1.47Å
C7	C6	sing	1.53Å	1.52Å
C1	N1	sing	1.46Å	1.46Å
N3	C10	sing	1.47Å	1.47Å
C10	C6	sing	1.53Å	1.52Å
C6	C5	sing	1.51Å	1.49Å
N1	C5	sing	1.35Å	1.39Å	Aromatic
N1	C2	sing	1.37Å	1.37Å	Aromatic
C5	N2	doub	1.31Å	1.34Å	Aromatic
C2	C3	doub	1.35Å	1.36Å	Aromatic
N2	C3	sing	1.34Å	1.38Å	Aromatic
C3	C4	sing	1.51Å	1.49Å
C4	F1	sing	1.40Å	1.33Å
C4	F3	sing	1.40Å	1.32Å
C4	F2	sing	1.40Å	1.33Å
N3	H1	sing	1.01Å	1.00Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.08Å	1.08Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	110.3°	109.3°
C8	C9	N3	112.3°	109.5°
C9	C8	H6	109.3°	109.5°
C9	C8	H7	109.2°	109.5°
C8	C9	H14	108.8°	109.5°
C8	C9	H15	108.7°	109.5°
C8	C7	C6	110.9°	109.1°
C8	C7	H4	109.1°	109.5°
C8	C7	H5	109.1°	109.5°
C7	C8	H6	109.3°	109.5°
C7	C8	H7	109.3°	109.5°
C9	N3	C10	112.2°	111.2°
C9	N3	H1	108.8°	111.0°
N3	C9	H14	108.8°	109.4°
N3	C9	H15	108.8°	109.4°
C7	C6	C10	110.5°	109.2°
C7	C6	C5	114.3°	109.5°
C7	C6	H3	106.0°	109.5°
C6	C7	H4	109.1°	109.6°
C6	C7	H5	109.1°	109.5°
C1	N1	C5	129.1°	126.4°
C1	N1	C2	123.9°	126.4°
N1	C1	H10	109.5°	109.5°
N1	C1	H11	109.4°	109.5°
N1	C1	H12	109.4°	109.5°
N3	C10	C6	110.3°	109.6°
C10	N3	H1	108.8°	111.0°
N3	C10	H8	109.3°	109.5°
N3	C10	H9	109.3°	109.4°
C10	C6	C5	113.1°	109.5°
C10	C6	H3	106.0°	109.5°
C6	C10	H8	109.3°	109.5°
C6	C10	H9	109.3°	109.4°
C6	C5	N1	132.9°	125.6°
C6	C5	N2	117.8°	125.6°
C5	C6	H3	106.3°	109.5°
C5	N1	C2	106.9°	107.2°
N1	C5	N2	109.3°	108.7°
N1	C2	C3	107.6°	106.8°
N1	C2	H13	126.2°	126.6°
C5	N2	C3	107.4°	109.3°
C2	C3	N2	108.7°	108.0°
C2	C3	C4	132.9°	126.0°
C3	C2	H13	126.2°	126.5°
N2	C3	C4	118.4°	126.0°
C3	C4	F1	113.3°	109.5°
C3	C4	F3	110.9°	109.5°
C3	C4	F2	112.4°	109.5°
F1	C4	F3	107.2°	109.5°
F1	C4	F2	106.1°	109.5°
F3	C4	F2	106.6°	109.5°
H4	C7	H5	109.5°	109.6°
H6	C8	H7	109.5°	109.5°
H8	C10	H9	109.5°	109.4°
H10	C1	H11	109.5°	109.5°
H10	C1	H12	109.5°	109.4°
H11	C1	H12	109.5°	109.5°
H14	C9	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H6	120.1°	119.9°
C9	C8	C7	H7	120.1°	120.0°
C8	C9	N3	H14	120.4°	120.1°
C8	C9	N3	H15	120.4°	120.1°
C9	C8	C7	C6	53.2°	57.7°
C8	C9	N3	C10	57.0°	61.7°
C8	C9	N3	H1	177.4°	174.1°
C9	C8	C7	H4	173.4°	62.2°
C9	C8	C7	H5	67.0°	177.6°
C9	C8	H6	H7	119.6°	120.1°
C8	C9	H14	H15	118.7°	120.0°
C7	C8	C9	N3	53.7°	59.2°
C8	C7	C6	H4	120.2°	119.9°
C8	C7	C6	H5	120.2°	119.9°
C8	C7	C6	C10	55.6°	57.7°
C8	C7	C6	C5	175.5°	177.6°
C8	C7	C6	H3	58.9°	62.2°
C8	C7	H4	H5	119.4°	120.2°
C7	C8	H6	H7	119.7°	120.1°
C7	C8	C9	H14	66.7°	179.2°
C7	C8	C9	H15	174.2°	60.8°
C9	N3	C10	H1	120.4°	124.1°
C9	N3	C10	C6	58.2°	61.8°
N3	C9	C8	H6	66.4°	179.1°
N3	C9	C8	H7	173.9°	60.8°
C9	N3	C10	H8	62.0°	58.3°
C9	N3	C10	H9	178.3°	178.3°
N3	C9	H14	H15	118.7°	119.9°
C7	C6	C10	N3	57.4°	59.2°
C7	C6	C10	C5	129.5°	119.9°
C7	C6	C10	H3	114.4°	120.0°
C7	C6	C5	H3	116.5°	120.1°
C7	C6	C5	N1	60.6°	120.2°
C7	C6	C5	N2	120.7°	59.9°
C6	C7	H4	H5	119.3°	120.1°
C6	C7	C8	H6	66.9°	177.6°
C6	C7	C8	H7	173.3°	62.3°
C7	C6	C10	H8	62.7°	60.9°
C7	C6	C10	H9	177.5°	179.2°
C1	N1	C5	C6	1.6°	0.3°
C1	N1	C5	C2	176.8°	179.7°
C1	N1	C5	N2	179.6°	179.7°
C1	N1	C2	C3	179.5°	179.8°
N1	C1	H10	H11	120.0°	120.0°
N1	C1	H10	H12	120.0°	120.0°
N1	C1	H11	H12	119.9°	120.0°
C1	N1	C2	H13	0.5°	0.3°
N3	C10	C6	H8	120.1°	120.1°
N3	C10	C6	H9	120.1°	120.0°
N3	C10	C6	C5	173.1°	179.1°
N3	C10	C6	H3	57.0°	60.7°
N3	C10	H8	H9	119.6°	119.9°
C10	N3	C9	H14	63.5°	178.2°
C10	N3	C9	H15	177.4°	58.3°
C10	C6	C5	H3	116.0°	120.1°
C10	C6	C5	N1	67.0°	120.1°
C10	C6	C5	N2	111.8°	59.8°
C6	C10	N3	H1	178.6°	174.1°
C10	C6	C7	H4	175.8°	62.2°
C10	C6	C7	H5	64.6°	177.6°
C6	C10	H8	H9	119.6°	119.9°
C6	C5	N1	N2	178.8°	179.9°
C6	C5	N1	C2	178.4°	180.0°
C6	C5	N2	C3	180.0°	179.9°
C5	C6	C7	H4	55.3°	57.7°
C5	C6	C7	H5	64.2°	62.5°
C5	C6	C10	H8	66.8°	59.0°
C5	C6	C10	H9	53.0°	60.9°
C5	N1	C2	C3	3.4°	0.0°
N1	C5	N2	C3	1.0°	0.0°
N1	C5	C6	H3	177.1°	0.0°
C5	N1	C1	H10	180.0°	90.0°
C5	N1	C1	H11	60.0°	150.0°
C5	N1	C1	H12	60.0°	30.0°
C5	N1	C2	H13	176.5°	180.0°
C2	N1	C5	N2	2.8°	0.0°
N1	C2	C3	H13	180.0°	180.0°
N1	C2	C3	N2	2.9°	0.0°
N1	C2	C3	C4	178.6°	180.0°
C2	N1	C1	H10	3.6°	89.7°
C2	N1	C1	H11	116.4°	30.4°
C2	N1	C1	H12	123.7°	150.3°
C5	N2	C3	C2	1.2°	0.0°
C5	N2	C3	C4	179.9°	180.0°
N2	C5	C6	H3	4.2°	180.0°
C2	C3	N2	C4	178.8°	179.9°
C2	C3	C4	F1	10.2°	90.0°
C2	C3	C4	F3	130.8°	30.0°
C2	C3	C4	F2	110.0°	150.1°
N2	C3	C4	F1	168.2°	90.0°
N2	C3	C4	F3	47.6°	150.1°
N2	C3	C4	F2	71.6°	30.0°
N2	C3	C2	H13	177.1°	180.0°
C3	C4	F1	F3	122.7°	120.0°
C3	C4	F1	F2	123.8°	120.0°
C3	C4	F3	F2	122.7°	120.0°
C4	C3	C2	H13	1.5°	0.1°
F1	C4	F3	F2	113.2°	120.0°
H1	N3	C10	H8	58.4°	65.8°
H1	N3	C10	H9	61.3°	54.1°
H1	N3	C9	H14	57.0°	54.1°
H1	N3	C9	H15	62.2°	65.8°
H3	C6	C7	H4	61.4°	177.8°
H3	C6	C7	H5	179.1°	57.6°
H3	C6	C10	H8	177.1°	179.2°
H3	C6	C10	H9	63.1°	59.2°
H4	C7	C8	H6	53.3°	57.6°
H4	C7	C8	H7	66.5°	177.8°
H5	C7	C8	H6	172.9°	62.6°
H5	C7	C8	H7	53.1°	57.6°
H6	C8	C9	H14	173.2°	60.9°
H6	C8	C9	H15	54.0°	59.1°
H7	C8	C9	H14	53.5°	59.2°
H7	C8	C9	H15	65.7°	179.2°
H10	C1	H11	H12	120.0°	120.0°

Release date:	2023-07-26
Definition date:	2023-07-05
Last modified:	2023-07-21
Release status:	REL
Processing site:	RCSB
Derived from:	7GA0