WV8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.51Å
C2	C3	sing	1.53Å	1.54Å
C12	C13	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C3	C11	sing	1.51Å	1.52Å
C3	C4	sing	1.53Å	1.53Å
C11	C16	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.53Å	1.51Å
C14	C15	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.55Å	1.53Å
C5	N10	sing	1.48Å	1.48Å
C16	C15	sing	1.38Å	1.38Å	Aromatic
C6	O7	sing	1.44Å	1.45Å
N10	C8	doub	1.30Å	1.29Å
O7	C8	sing	1.35Å	1.34Å
C8	N9	sing	1.37Å	1.33Å
C5	H5	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å
C15	H15	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C3	H3	sing	1.09Å	1.10Å
C16	H16	sing	1.08Å	1.08Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C1	H1C	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C2	H2A	sing	1.09Å	1.10Å
C2	H2B	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C4	H4B	sing	1.09Å	1.10Å
N9	H9A	sing	0.97Å	1.00Å
N9	H9B	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	114.8°	109.5°
C2	C1	H1A	109.5°	109.4°
C2	C1	H1B	109.5°	109.5°
C2	C1	H1C	109.5°	109.5°
C1	C2	H2A	108.1°	109.5°
C1	C2	H2B	108.1°	109.5°
C2	C3	C11	111.9°	109.5°
C2	C3	C4	111.5°	109.5°
C2	C3	H3	106.6°	109.5°
C3	C2	H2A	108.1°	109.5°
C3	C2	H2B	108.1°	109.5°
C13	C12	C11	120.7°	120.0°
C12	C13	C14	120.2°	120.0°
C13	C12	H12	119.7°	120.0°
C12	C13	H13	119.9°	120.0°
C12	C11	C3	121.0°	120.0°
C12	C11	C16	118.5°	120.0°
C11	C12	H12	119.6°	120.0°
C13	C14	C15	119.7°	120.0°
C13	C14	H14	120.2°	120.0°
C14	C13	H13	119.9°	120.0°
C11	C3	C4	112.7°	109.5°
C3	C11	C16	120.5°	120.0°
C11	C3	H3	106.9°	109.4°
C3	C4	C5	115.8°	109.5°
C4	C3	H3	106.7°	109.5°
C3	C4	H4A	107.9°	109.5°
C3	C4	H4B	107.9°	109.4°
C11	C16	C15	120.6°	120.0°
C11	C16	H16	119.7°	120.0°
C4	C5	C6	112.0°	110.9°
C4	C5	N10	111.9°	111.0°
C4	C5	H5	109.9°	110.8°
C5	C4	H4A	107.9°	109.5°
C5	C4	H4B	107.9°	109.5°
C14	C15	C16	120.3°	120.0°
C14	C15	H15	119.9°	120.0°
C15	C14	H14	120.2°	120.0°
C6	C5	N10	102.9°	102.0°
C5	C6	O7	104.5°	101.3°
C6	C5	H5	109.7°	110.9°
C5	C6	H6A	110.7°	111.0°
C5	C6	H6B	110.7°	111.0°
C5	N10	C8	106.6°	108.4°
N10	C5	H5	110.4°	110.9°
C16	C15	H15	119.9°	120.0°
C15	C16	H16	119.7°	120.0°
C6	O7	C8	105.4°	107.7°
O7	C6	H6A	110.7°	111.1°
O7	C6	H6B	110.7°	111.0°
N10	C8	O7	117.9°	113.9°
N10	C8	N9	127.3°	123.1°
O7	C8	N9	114.8°	123.1°
C8	N9	H9A	120.0°	120.0°
C8	N9	H9B	120.0°	120.0°
H6A	C6	H6B	109.5°	111.0°
H1A	C1	H1B	109.5°	109.5°
H1A	C1	H1C	109.5°	109.5°
H1B	C1	H1C	109.4°	109.5°
H2A	C2	H2B	109.5°	109.5°
H4A	C4	H4B	109.5°	109.4°
H9A	N9	H9B	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H2A	120.8°	120.0°
C1	C2	C3	H2B	120.8°	120.0°
C1	C2	C3	C11	168.2°	65.5°
C1	C2	C3	C4	64.6°	174.5°
C1	C2	C3	H3	51.6°	54.4°
C2	C1	H1A	H1B	120.0°	120.0°
C2	C1	H1A	H1C	120.0°	120.0°
C2	C1	H1B	H1C	120.0°	120.0°
C1	C2	H2A	H2B	117.5°	120.0°
C2	C3	C11	C12	24.4°	120.0°
C2	C3	C11	C4	126.6°	120.0°
C2	C3	C11	H3	116.4°	120.0°
C2	C3	C4	H3	116.1°	120.0°
C2	C3	C11	C16	156.6°	60.3°
C2	C3	C4	C5	101.4°	66.0°
C3	C2	C1	H1A	180.0°	175.3°
C3	C2	C1	H1B	60.0°	64.7°
C3	C2	C1	H1C	60.0°	55.4°
C3	C2	H2A	H2B	117.5°	120.0°
C2	C3	C4	H4A	19.6°	173.9°
C2	C3	C4	H4B	137.7°	54.0°
C13	C12	C11	H12	180.0°	179.7°
C12	C13	C14	H13	180.0°	179.7°
C13	C12	C11	C3	178.9°	180.0°
C13	C12	C11	C16	0.1°	0.3°
C12	C13	C14	C15	0.1°	0.0°
C12	C13	C14	H14	179.9°	180.0°
C11	C12	C13	C14	0.1°	0.3°
C12	C11	C3	C16	179.0°	179.7°
C12	C11	C3	C4	102.2°	120.0°
C12	C11	C16	C15	0.1°	0.0°
C12	C11	C3	H3	140.8°	0.0°
C12	C11	C16	H16	180.0°	180.0°
C11	C12	C13	H13	179.9°	180.0°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	0.1°	0.3°
C13	C14	C15	H15	179.9°	180.0°
C14	C13	C12	H12	179.9°	180.0°
C11	C3	C4	H3	117.1°	120.0°
C11	C3	C4	C5	131.8°	174.0°
C3	C11	C16	C15	178.9°	179.7°
C3	C11	C12	H12	1.1°	0.3°
C3	C11	C16	H16	1.1°	0.3°
C11	C3	C2	H2A	71.0°	54.5°
C11	C3	C2	H2B	47.4°	174.5°
C11	C3	C4	H4A	107.3°	53.9°
C11	C3	C4	H4B	10.9°	66.0°
C4	C3	C11	C16	76.7°	59.7°
C3	C4	C5	H4A	120.9°	120.0°
C3	C4	C5	H4B	120.9°	120.0°
C3	C4	C5	C6	173.5°	177.4°
C3	C4	C5	N10	58.7°	70.0°
C3	C4	C5	H5	64.3°	53.7°
C4	C3	C2	H2A	56.2°	65.5°
C4	C3	C2	H2B	174.6°	54.5°
C3	C4	H4A	H4B	117.1°	120.0°
C11	C16	C15	C14	0.1°	0.3°
C11	C16	C15	H16	180.0°	180.0°
C11	C16	C15	H15	179.9°	180.0°
C16	C11	C12	H12	179.9°	180.0°
C16	C11	C3	H3	40.2°	179.8°
C4	C5	C6	N10	120.3°	118.2°
C4	C5	C6	H5	122.2°	123.6°
C4	C5	N10	H5	122.7°	123.6°
C4	C5	C6	O7	136.6°	141.7°
C4	C5	N10	C8	134.0°	133.2°
C4	C5	C6	H6A	104.2°	100.3°
C4	C5	C6	H6B	17.4°	23.7°
C5	C4	C3	H3	14.7°	54.0°
C5	C4	H4A	H4B	117.2°	120.0°
C14	C15	C16	H15	180.0°	179.7°
C14	C15	C16	H16	180.0°	179.7°
C15	C14	C13	H13	179.9°	179.7°
C6	C5	N10	H5	117.0°	118.2°
C5	C6	O7	H6A	119.2°	118.0°
C5	C6	O7	H6B	119.2°	118.0°
C6	C5	N10	C8	13.6°	15.0°
C5	C6	O7	C8	13.4°	24.9°
C5	C6	H6A	H6B	122.3°	124.0°
C6	C5	C4	H4A	65.5°	62.6°
C6	C5	C4	H4B	52.7°	57.4°
N10	C5	C6	O7	16.3°	23.5°
C5	N10	C8	O7	5.9°	0.4°
C5	N10	C8	N9	173.9°	179.6°
N10	C5	C6	H6A	135.5°	141.5°
N10	C5	C6	H6B	102.9°	94.5°
N10	C5	C4	H4A	179.6°	50.0°
N10	C5	C4	H4B	62.2°	170.0°
C16	C15	C14	H14	179.9°	179.7°
C6	O7	C8	N10	5.3°	17.3°
C6	O7	C8	N9	174.9°	162.7°
O7	C6	C5	H5	101.2°	94.7°
O7	C6	H6A	H6B	122.4°	124.1°
N10	C8	O7	N9	179.8°	180.0°
C8	N10	C5	H5	103.4°	103.1°
N10	C8	N9	H9A	0.0°	0.0°
N10	C8	N9	H9B	180.0°	180.0°
C8	O7	C6	H6A	132.6°	142.9°
C8	O7	C6	H6B	105.7°	93.1°
O7	C8	N9	H9A	179.8°	180.0°
O7	C8	N9	H9B	0.2°	0.0°
C8	N9	H9A	H9B	180.0°	180.0°
H5	C5	C6	H6A	18.1°	23.3°
H5	C5	C6	H6B	139.6°	147.3°
H5	C5	C4	H4A	56.6°	173.7°
H5	C5	C4	H4B	174.8°	66.3°
H15	C15	C14	H14	0.1°	0.0°
H15	C15	C16	H16	0.1°	0.0°
H14	C14	C13	H13	0.1°	0.3°
H12	C12	C13	H13	0.1°	0.3°
H3	C3	C2	H2A	172.3°	174.5°
H3	C3	C2	H2B	69.2°	65.6°
H3	C3	C4	H4A	135.7°	66.0°
H3	C3	C4	H4B	106.2°	174.0°
H1A	C1	H1B	H1C	120.0°	120.0°
H1A	C1	C2	H2A	59.2°	55.3°
H1A	C1	C2	H2B	59.2°	64.7°
H1B	C1	C2	H2A	60.8°	175.3°
H1B	C1	C2	H2B	179.3°	55.3°
H1C	C1	C2	H2A	179.2°	64.6°
H1C	C1	C2	H2B	60.8°	175.4°

Release date:	2024-01-10
Definition date:	2023-10-16
Last modified:	2024-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	8UHB