VD6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C	doub	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C	C5	sing	1.38Å	1.38Å	Aromatic
C2	C3	doub	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C3	C6	sing	1.51Å	1.49Å
C6	N	sing	1.47Å	1.57Å
O	C12	doub	1.21Å	1.20Å
O1	C12	sing	1.34Å	1.20Å
C12	C11	sing	1.51Å	1.62Å
N	C11	sing	1.47Å	1.55Å
N	C7	sing	1.47Å	1.53Å
C11	C10	sing	1.53Å	1.51Å
C7	C8	sing	1.53Å	1.54Å
C10	C9	sing	1.53Å	1.49Å
C8	C9	sing	1.53Å	1.51Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
O1	H7	sing	0.97Å	0.95Å
C1	H8	sing	1.08Å	1.08Å
C5	H9	sing	1.08Å	1.08Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C10	H16	sing	1.09Å	1.10Å
C	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	119.2°	120.0°
C1	C	C5	120.3°	120.0°
C	C1	H8	120.4°	119.9°
C1	C	H18	119.8°	120.0°
C1	C2	C3	120.7°	120.0°
C2	C1	H8	120.4°	120.0°
C1	C2	H13	119.7°	120.1°
C	C5	C4	120.7°	120.0°
C	C5	H9	119.6°	120.1°
C5	C	H18	119.8°	120.0°
C2	C3	C4	119.8°	120.0°
C2	C3	C6	118.9°	120.0°
C3	C2	H13	119.7°	120.0°
C5	C4	C3	119.3°	120.0°
C4	C5	H9	119.7°	119.9°
C5	C4	H12	120.4°	120.0°
C4	C3	C6	121.3°	120.0°
C3	C4	H12	120.3°	120.0°
C3	C6	N	113.7°	109.5°
C3	C6	H10	108.4°	109.5°
C3	C6	H11	108.4°	109.5°
C6	N	C11	111.2°	111.0°
C6	N	C7	113.2°	111.0°
N	C6	H10	108.4°	109.4°
N	C6	H11	108.4°	109.5°
O	C12	O1	130.1°	120.0°
O	C12	C11	115.3°	120.0°
O1	C12	C11	114.6°	120.0°
C12	O1	H7	109.5°	117.0°
C12	C11	N	111.6°	109.5°
C12	C11	C10	114.0°	109.5°
C12	C11	H14	105.2°	109.5°
C11	N	C7	115.2°	111.2°
N	C11	C10	113.1°	109.5°
N	C11	H14	105.8°	109.4°
N	C7	C8	116.4°	109.5°
N	C7	H1	107.7°	109.5°
N	C7	H2	107.7°	109.4°
C11	C10	C9	112.3°	109.3°
C10	C11	H14	106.3°	109.4°
C11	C10	H15	108.7°	109.5°
C11	C10	H16	108.8°	109.5°
C7	C8	C9	114.5°	109.3°
C8	C7	H1	107.7°	109.5°
C8	C7	H2	107.7°	109.5°
C7	C8	H3	108.2°	109.5°
C7	C8	H4	108.2°	109.5°
C10	C9	C8	109.5°	109.2°
C10	C9	H5	109.5°	109.5°
C10	C9	H6	109.5°	109.6°
C9	C10	H15	108.8°	109.5°
C9	C10	H16	108.8°	109.5°
C9	C8	H3	108.2°	109.5°
C9	C8	H4	108.2°	109.5°
C8	C9	H5	109.5°	109.6°
C8	C9	H6	109.5°	109.5°
H1	C7	H2	109.5°	109.5°
H3	C8	H4	109.5°	109.5°
H5	C9	H6	109.5°	109.5°
H10	C6	H11	109.5°	109.4°
H15	C10	H16	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	H8	180.0°	179.8°
C1	C	C5	H18	180.0°	180.0°
C	C1	C2	C3	0.5°	0.0°
C1	C	C5	C4	0.6°	0.1°
C1	C	C5	H9	179.3°	179.9°
C	C1	C2	H13	179.5°	180.0°
C2	C1	C	C5	0.4°	0.0°
C1	C2	C3	H13	180.0°	180.0°
C1	C2	C3	C4	1.1°	0.0°
C1	C2	C3	C6	178.0°	180.0°
C2	C1	C	H18	179.6°	180.0°
C	C5	C4	H9	180.0°	179.9°
C	C5	C4	C3	0.0°	0.1°
C5	C	C1	H8	179.7°	179.7°
C	C5	C4	H12	180.0°	179.9°
C2	C3	C4	C5	0.8°	0.0°
C2	C3	C4	C6	179.1°	179.9°
C2	C3	C6	N	121.6°	89.9°
C3	C2	C1	H8	179.5°	179.7°
C2	C3	C6	H10	117.7°	30.0°
C2	C3	C6	H11	1.0°	150.0°
C2	C3	C4	H12	179.2°	179.9°
C5	C4	C3	H12	180.0°	179.8°
C5	C4	C3	C6	178.3°	180.0°
C4	C5	C	H18	179.3°	180.0°
C4	C3	C6	N	57.5°	90.0°
C3	C4	C5	H9	179.9°	179.9°
C4	C3	C6	H10	63.1°	150.0°
C4	C3	C6	H11	178.1°	30.1°
C4	C3	C2	H13	178.9°	180.0°
C3	C6	N	H10	120.6°	120.0°
C3	C6	N	H11	120.6°	120.1°
C3	C6	N	C11	145.6°	163.9°
C3	C6	N	C7	14.1°	71.9°
C3	C6	H10	H11	118.1°	120.0°
C6	C3	C4	H12	1.7°	0.2°
C6	C3	C2	H13	2.0°	0.0°
C6	N	C11	C12	9.8°	57.7°
C6	N	C11	C7	130.5°	124.1°
C6	N	C11	C10	140.0°	62.3°
C6	N	C7	C8	167.2°	62.3°
C6	N	C7	H1	46.2°	177.6°
C6	N	C7	H2	71.7°	57.7°
N	C6	H10	H11	118.0°	120.0°
C6	N	C11	H14	104.0°	177.7°
O	C12	O1	C11	178.3°	179.9°
O	C12	C11	N	59.3°	5.3°
O	C12	C11	C10	70.3°	125.4°
O	C12	O1	H7	0.0°	0.0°
O	C12	C11	H14	173.6°	114.7°
O1	C12	C11	N	122.1°	174.6°
O1	C12	C11	C10	108.3°	54.6°
O1	C12	C11	H14	7.8°	65.4°
C12	C11	N	C10	130.1°	120.0°
C12	C11	N	H14	113.9°	120.0°
C12	C11	N	C7	120.6°	178.2°
C12	C11	C10	H14	115.4°	120.0°
C12	C11	C10	C9	172.1°	179.2°
C11	C12	O1	H7	178.3°	180.0°
C12	C11	C10	H15	67.5°	59.3°
C12	C11	C10	H16	51.6°	60.9°
N	C11	C10	H14	115.7°	120.0°
C11	N	C7	C8	37.7°	61.7°
N	C11	C10	C9	43.1°	59.2°
C11	N	C7	H1	83.3°	58.3°
C11	N	C7	H2	158.7°	178.3°
C11	N	C6	H10	93.8°	43.9°
C11	N	C6	H11	24.9°	76.0°
N	C11	C10	H15	163.6°	60.8°
N	C11	C10	H16	77.3°	179.1°
C7	N	C11	C10	9.5°	61.8°
N	C7	C8	H1	121.0°	120.0°
N	C7	C8	H2	121.0°	120.0°
N	C7	C8	C9	13.1°	59.2°
N	C7	H1	H2	116.8°	120.0°
N	C7	C8	H3	133.8°	60.8°
N	C7	C8	H4	107.7°	179.2°
C7	N	C6	H10	134.7°	168.1°
C7	N	C6	H11	106.6°	48.2°
C7	N	C11	H14	125.5°	58.2°
C11	C10	C9	H15	120.4°	120.0°
C11	C10	C9	H16	120.4°	119.9°
C11	C10	C9	C8	68.7°	57.6°
C11	C10	C9	H5	51.3°	177.6°
C11	C10	C9	H6	171.3°	62.3°
C11	C10	H15	H16	118.7°	120.1°
C7	C8	C9	C10	38.1°	57.7°
C7	C8	C9	H3	120.7°	120.0°
C7	C8	C9	H4	120.7°	120.0°
C8	C7	H1	H2	116.9°	120.0°
C7	C8	H3	H4	117.7°	120.1°
C7	C8	C9	H5	81.9°	177.6°
C7	C8	C9	H6	158.1°	62.3°
C10	C9	C8	H5	120.0°	119.9°
C10	C9	C8	H6	120.0°	120.0°
C10	C9	C8	H3	82.6°	62.3°
C10	C9	C8	H4	158.8°	177.7°
C10	C9	H5	H6	120.0°	120.2°
C9	C10	C11	H14	72.5°	60.8°
C9	C10	H15	H16	118.7°	120.1°
C9	C8	C7	H1	107.9°	60.8°
C9	C8	C7	H2	134.1°	179.2°
C9	C8	H3	H4	117.8°	120.1°
C8	C9	H5	H6	120.0°	120.1°
C8	C9	C10	H15	170.9°	62.3°
C8	C9	C10	H16	51.7°	177.5°
H1	C7	C8	H3	12.8°	179.2°
H1	C7	C8	H4	131.3°	59.2°
H2	C7	C8	H3	105.2°	59.2°
H2	C7	C8	H4	13.3°	60.9°
H3	C8	C9	H5	157.4°	57.6°
H3	C8	C9	H6	37.4°	177.7°
H4	C8	C9	H5	38.8°	62.4°
H4	C8	C9	H6	81.2°	57.7°
H5	C9	C10	H15	69.1°	57.6°
H5	C9	C10	H16	171.7°	62.5°
H6	C9	C10	H15	50.9°	177.8°
H6	C9	C10	H16	68.3°	57.6°
H8	C1	C2	H13	0.5°	0.3°
H8	C1	C	H18	0.4°	0.2°
H9	C5	C4	H12	0.0°	0.0°
H9	C5	C	H18	0.7°	0.1°
H14	C11	C10	H15	47.9°	179.3°
H14	C11	C10	H16	167.0°	59.1°

Release date:	2022-11-02
Definition date:	2022-08-29
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	7FKW