2V6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C10	sing	1.51Å	1.53Å
C10	N3	doub	1.32Å	1.36Å	Aromatic
C10	C9	sing	1.39Å	1.37Å	Aromatic
N3	C11	sing	1.34Å	1.29Å	Aromatic
C9	C8	doub	1.38Å	1.53Å	Aromatic
C11	N4	doub	1.33Å	1.36Å	Aromatic
C11	N2	sing	1.37Å	1.39Å	Aromatic
N4	C12	sing	1.33Å	1.34Å	Aromatic
F7	C3	sing	1.35Å	1.38Å
N2	C8	sing	1.37Å	1.30Å	Aromatic
N2	N5	sing	1.40Å	1.37Å	Aromatic
C8	N1	sing	1.38Å	1.36Å
C2	C3	doub	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.39Å	1.42Å	Aromatic
C12	N5	doub	1.31Å	1.34Å	Aromatic
C12	C14	sing	1.51Å	1.52Å
C3	C4	sing	1.38Å	1.38Å	Aromatic
F2	C7	sing	1.40Å	1.31Å
F6	C14	sing	1.40Å	1.32Å
F5	C14	sing	1.40Å	1.30Å
N1	C1	sing	1.40Å	1.37Å
C1	C6	doub	1.39Å	1.38Å	Aromatic
C14	F4	sing	1.40Å	1.33Å
C4	C7	sing	1.51Å	1.50Å
C4	C5	doub	1.38Å	1.43Å	Aromatic
C7	F3	sing	1.40Å	1.32Å
C7	F1	sing	1.40Å	1.30Å
C6	C5	sing	1.38Å	1.37Å	Aromatic
C5	F8	sing	1.35Å	1.32Å
C6	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
N1	H3	sing	0.97Å	1.00Å
C9	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C10	N3	115.5°	119.7°
C13	C10	C9	118.8°	119.8°
C10	C13	H5	109.5°	109.5°
C10	C13	H6	109.5°	109.5°
C10	C13	H7	109.5°	109.5°
N3	C10	C9	125.6°	120.5°
C10	N3	C11	114.3°	121.2°
C10	C9	C8	116.5°	119.0°
C10	C9	H4	121.8°	120.5°
N3	C11	N4	128.2°	132.4°
N3	C11	N2	126.1°	120.5°
C9	C8	N2	114.2°	118.7°
C9	C8	N1	119.5°	120.6°
C8	C9	H4	121.8°	120.5°
N4	C11	N2	105.6°	107.1°
C11	N4	C12	104.7°	109.7°
C11	N2	C8	122.5°	120.2°
C11	N2	N5	112.1°	106.4°
N4	C12	N5	116.7°	109.6°
N4	C12	C14	125.0°	125.2°
F7	C3	C2	113.0°	120.0°
F7	C3	C4	123.4°	120.0°
C8	N2	N5	125.2°	133.4°
N2	C8	N1	124.3°	120.7°
N2	N5	C12	100.1°	107.1°
C8	N1	C1	126.7°	120.0°
C8	N1	H3	116.7°	120.0°
C3	C2	C1	117.1°	120.0°
C2	C3	C4	123.6°	120.0°
C3	C2	H2	121.4°	120.0°
C2	C1	N1	120.3°	120.1°
C2	C1	C6	122.4°	119.9°
C1	C2	H2	121.5°	120.0°
N5	C12	C14	117.3°	125.2°
C12	C14	F6	107.9°	109.5°
C12	C14	F5	109.8°	109.5°
C12	C14	F4	111.6°	109.5°
C3	C4	C7	121.8°	119.9°
C3	C4	C5	115.8°	120.1°
F2	C7	C4	106.6°	109.5°
F2	C7	F3	103.3°	109.5°
F2	C7	F1	114.1°	109.5°
F6	C14	F5	106.5°	109.5°
F6	C14	F4	110.2°	109.4°
F5	C14	F4	110.6°	109.5°
N1	C1	C6	117.2°	120.1°
C1	N1	H3	116.7°	120.0°
C1	C6	C5	117.3°	120.0°
C1	C6	H1	121.3°	120.0°
C7	C4	C5	121.4°	119.9°
C4	C7	F3	111.8°	109.5°
C4	C7	F1	110.3°	109.4°
C4	C5	C6	123.1°	120.0°
C4	C5	F8	117.4°	120.0°
F3	C7	F1	110.5°	109.5°
C6	C5	F8	118.9°	120.0°
C5	C6	H1	121.3°	120.0°
H5	C13	H6	109.5°	109.5°
H5	C13	H7	109.4°	109.5°
H6	C13	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C10	N3	C9	179.8°	180.0°
C13	C10	N3	C11	178.1°	179.8°
C13	C10	C9	C8	174.2°	180.0°
C13	C10	C9	H4	5.8°	0.1°
C10	C13	H5	H6	120.0°	120.0°
C10	C13	H5	H7	120.0°	120.0°
C10	C13	H6	H7	120.0°	119.9°
N3	C10	C9	C8	5.6°	0.1°
C10	N3	C11	N4	176.0°	179.7°
C10	N3	C11	N2	7.4°	0.2°
N3	C10	C9	H4	174.4°	180.0°
N3	C10	C13	H5	0.0°	0.0°
N3	C10	C13	H6	120.0°	120.1°
N3	C10	C13	H7	120.0°	120.0°
C9	C10	N3	C11	2.1°	0.2°
C10	C9	C8	H4	180.0°	179.9°
C10	C9	C8	N2	8.5°	0.3°
C10	C9	C8	N1	173.3°	180.0°
C9	C10	C13	H5	179.8°	180.0°
C9	C10	C13	H6	60.2°	60.0°
C9	C10	C13	H7	59.9°	59.9°
N3	C11	N4	N2	177.2°	179.9°
N3	C11	N4	C12	174.3°	179.9°
N3	C11	N2	C8	4.0°	0.1°
N3	C11	N2	N5	179.9°	179.9°
C9	C8	N2	C11	4.3°	0.3°
C9	C8	N2	N1	164.0°	179.7°
C9	C8	N2	N5	171.3°	179.7°
C9	C8	N1	C1	16.9°	122.1°
C9	C8	N1	H3	163.1°	58.0°
N4	C11	N2	C8	178.7°	180.0°
N4	C11	N2	N5	2.6°	0.0°
C11	N4	C12	N5	8.1°	0.0°
C11	N4	C12	C14	176.3°	180.0°
N2	C11	N4	C12	2.9°	0.0°
C11	N2	C8	N5	175.5°	180.0°
C11	N2	C8	N1	168.3°	180.0°
C11	N2	N5	C12	6.9°	0.0°
N4	C12	N5	N2	9.3°	0.0°
N4	C12	N5	C14	169.1°	180.0°
N4	C12	C14	F6	37.7°	165.0°
N4	C12	C14	F5	78.1°	45.0°
N4	C12	C14	F4	158.9°	75.0°
F7	C3	C2	C4	177.1°	180.0°
F7	C3	C2	C1	178.7°	179.8°
F7	C3	C4	C7	7.4°	0.0°
F7	C3	C4	C5	176.3°	180.0°
F7	C3	C2	H2	1.3°	0.0°
C8	N2	N5	C12	177.2°	180.0°
N2	C8	N1	C1	179.9°	58.2°
N2	C8	N1	H3	0.1°	121.7°
N2	C8	C9	H4	171.5°	179.8°
N5	N2	C8	N1	7.3°	0.1°
N2	N5	C12	C14	178.4°	180.0°
C8	N1	C1	C2	49.3°	7.0°
C8	N1	C1	H3	180.0°	179.9°
C8	N1	C1	C6	134.7°	173.3°
N1	C8	C9	H4	6.7°	0.1°
C3	C2	C1	H2	180.0°	179.7°
C3	C2	C1	N1	172.1°	179.9°
C3	C2	C1	C6	3.6°	0.3°
C2	C3	C4	C7	175.8°	179.9°
C2	C3	C4	C5	6.9°	0.0°
C1	C2	C3	C4	4.2°	0.3°
C2	C1	N1	C6	176.0°	179.7°
C2	C1	C6	C5	6.2°	0.0°
C2	C1	C6	H1	173.8°	180.0°
C2	C1	N1	H3	130.7°	173.0°
N5	C12	C14	F6	130.5°	15.0°
N5	C12	C14	F5	113.8°	135.0°
N5	C12	C14	F4	9.3°	105.0°
C12	C14	F6	F5	117.9°	120.0°
C12	C14	F6	F4	122.1°	120.0°
C12	C14	F5	F4	123.6°	120.1°
C3	C4	C7	F2	71.5°	30.0°
C3	C4	C7	C5	168.3°	179.9°
C3	C4	C7	F3	40.8°	90.0°
C3	C4	C7	F1	164.1°	150.0°
C3	C4	C5	C6	9.6°	0.3°
C3	C4	C5	F8	179.1°	180.0°
C4	C3	C2	H2	175.8°	180.0°
F2	C7	C4	F3	112.2°	120.0°
F2	C7	C4	F1	124.4°	120.0°
F2	C7	C4	C5	120.3°	150.0°
F2	C7	F3	F1	122.5°	120.0°
F6	C14	F5	F4	119.8°	119.9°
N1	C1	C6	C5	169.7°	179.7°
N1	C1	C6	H1	10.3°	0.4°
N1	C1	C2	H2	7.9°	0.3°
C1	C6	C5	C4	9.3°	0.2°
C1	C6	C5	H1	180.0°	179.9°
C1	C6	C5	F8	179.6°	180.0°
C6	C1	C2	H2	176.4°	180.0°
C6	C1	N1	H3	45.2°	6.6°
C4	C7	F3	F1	123.2°	120.0°
C7	C4	C5	C6	178.6°	179.8°
C7	C4	C5	F8	10.2°	0.1°
C5	C4	C7	F3	127.5°	90.0°
C5	C4	C7	F1	4.2°	30.0°
C4	C5	C6	F8	171.1°	179.7°
C4	C5	C6	H1	170.7°	179.7°
F8	C5	C6	H1	0.5°	0.0°
H5	C13	H6	H7	120.0°	120.0°

Release date:	2014-06-04
Definition date:	2014-02-20
Last modified:	2014-05-30
Release status:	REL
Processing site:	RCSB
Derived from:	4OQV