V8D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C16	doub	1.38Å	1.38Å	Aromatic
C14	C10	sing	1.38Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C10	C06	doub	1.38Å	1.38Å	Aromatic
C15	C11	doub	1.38Å	1.38Å	Aromatic
O02	C13	doub	1.22Å	1.40Å
C17	C18	sing	1.53Å	1.53Å
C17	O01	sing	1.45Å	1.40Å
C06	C11	sing	1.38Å	1.38Å	Aromatic
C06	C05	sing	1.51Å	1.52Å
C13	O01	sing	1.35Å	1.18Å
C13	C08	sing	1.47Å	1.52Å
C05	C07	sing	1.53Å	1.53Å
C05	N03	sing	1.47Å	1.45Å
C08	N03	sing	1.38Å	1.32Å	Aromatic
C08	C12	doub	1.37Å	1.38Å	Aromatic
N03	C09	sing	1.35Å	1.32Å	Aromatic
C12	N04	sing	1.33Å	1.32Å	Aromatic
C09	N04	doub	1.31Å	1.32Å	Aromatic
C05	H1	sing	1.09Å	1.10Å
C07	H2	sing	1.09Å	1.10Å
C07	H3	sing	1.09Å	1.10Å
C07	H4	sing	1.09Å	1.10Å
C09	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
C18	H15	sing	1.09Å	1.10Å
C18	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C14	C10	119.8°	120.0°
C14	C16	C15	119.9°	120.0°
C16	C14	H9	120.1°	120.0°
C14	C16	H11	120.1°	120.0°
C14	C10	C06	120.1°	120.0°
C14	C10	H6	119.9°	120.0°
C10	C14	H9	120.1°	120.0°
C16	C15	C11	120.3°	120.0°
C16	C15	H10	119.9°	120.0°
C15	C16	H11	120.0°	120.0°
C10	C06	C11	120.1°	120.0°
C10	C06	C05	119.6°	120.0°
C06	C10	H6	120.0°	120.0°
C15	C11	C06	119.7°	120.0°
C15	C11	H7	120.1°	120.0°
C11	C15	H10	119.8°	120.0°
O02	C13	O01	119.5°	120.0°
O02	C13	C08	120.1°	120.0°
C18	C17	O01	108.5°	109.5°
C18	C17	H12	109.7°	109.5°
C18	C17	H13	109.7°	109.4°
C17	C18	H14	109.5°	109.5°
C17	C18	H15	109.5°	109.5°
C17	C18	H16	109.5°	109.4°
C17	O01	C13	119.3°	117.0°
O01	C17	H12	109.7°	109.5°
O01	C17	H13	109.7°	109.4°
C11	C06	C05	120.4°	120.0°
C06	C11	H7	120.1°	120.0°
C06	C05	C07	108.9°	109.5°
C06	C05	N03	110.0°	109.5°
C06	C05	H1	109.2°	109.5°
O01	C13	C08	120.4°	120.0°
C13	C08	N03	126.6°	126.9°
C13	C08	C12	125.7°	126.8°
C07	C05	N03	109.5°	109.4°
C07	C05	H1	109.1°	109.5°
C05	C07	H2	109.5°	109.5°
C05	C07	H3	109.4°	109.5°
C05	C07	H4	109.5°	109.5°
C05	N03	C08	126.5°	126.5°
C05	N03	C09	125.7°	126.4°
N03	C05	H1	110.2°	109.5°
N03	C08	C12	107.8°	106.3°
C08	N03	C09	107.7°	107.1°
C08	C12	N04	106.0°	107.8°
C08	C12	H8	127.0°	126.1°
N03	C09	N04	109.6°	109.2°
N03	C09	H5	125.2°	125.4°
C12	N04	C09	108.9°	109.7°
N04	C12	H8	127.0°	126.1°
N04	C09	H5	125.2°	125.4°
H2	C07	H3	109.5°	109.4°
H2	C07	H4	109.5°	109.4°
H3	C07	H4	109.5°	109.5°
H12	C17	H13	109.5°	109.5°
H14	C18	H15	109.5°	109.5°
H14	C18	H16	109.4°	109.5°
H15	C18	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C14	C10	H9	180.0°	179.7°
C14	C16	C15	H11	180.0°	179.7°
C16	C14	C10	C06	0.1°	0.0°
C14	C16	C15	C11	0.2°	0.5°
C16	C14	C10	H6	179.9°	179.9°
C14	C16	C15	H10	179.8°	180.0°
C10	C14	C16	C15	0.1°	0.3°
C14	C10	C06	H6	180.0°	180.0°
C14	C10	C06	C11	0.1°	0.0°
C14	C10	C06	C05	179.9°	179.7°
C10	C14	C16	H11	179.9°	180.0°
C16	C15	C11	H10	180.0°	179.5°
C16	C15	C11	C06	0.2°	0.5°
C16	C15	C11	H7	179.8°	179.5°
C15	C16	C14	H9	179.9°	180.0°
C10	C06	C11	C15	0.2°	0.3°
C10	C06	C11	C05	179.9°	179.7°
C10	C06	C05	C07	81.3°	59.7°
C10	C06	C05	N03	158.7°	60.3°
C10	C06	C05	H1	37.7°	179.7°
C10	C06	C11	H7	179.8°	179.8°
C06	C10	C14	H9	179.9°	179.8°
C15	C11	C06	H7	180.0°	180.0°
C15	C11	C06	C05	179.9°	180.0°
C11	C15	C16	H11	179.8°	179.8°
O02	C13	O01	C17	0.5°	0.1°
O02	C13	O01	C08	179.6°	180.0°
O02	C13	C08	N03	52.2°	180.0°
O02	C13	C08	C12	127.5°	0.3°
C18	C17	O01	H12	119.8°	120.0°
C18	C17	O01	H13	119.9°	119.9°
C18	C17	O01	C13	153.4°	180.0°
C18	C17	H12	H13	120.5°	120.0°
C17	C18	H14	H15	120.0°	120.0°
C17	C18	H14	H16	120.0°	120.0°
C17	C18	H15	H16	120.0°	120.0°
C17	O01	C13	C08	180.0°	179.9°
O01	C17	H12	H13	120.4°	120.0°
O01	C17	C18	H14	180.0°	60.0°
O01	C17	C18	H15	60.0°	59.9°
O01	C17	C18	H16	60.0°	179.9°
C11	C06	C05	C07	98.6°	120.0°
C11	C06	C05	N03	21.3°	120.0°
C11	C06	C05	H1	142.3°	0.0°
C11	C06	C10	H6	179.9°	179.9°
C06	C11	C15	H10	179.8°	180.0°
C06	C05	C07	N03	120.3°	120.0°
C06	C05	C07	H1	119.1°	120.0°
C06	C05	N03	H1	120.4°	120.0°
C06	C05	N03	C08	76.9°	120.0°
C06	C05	N03	C09	103.6°	59.9°
C06	C05	C07	H2	180.0°	180.0°
C06	C05	C07	H3	60.0°	60.0°
C06	C05	C07	H4	60.0°	60.0°
C05	C06	C10	H6	0.1°	0.2°
C05	C06	C11	H7	0.1°	0.0°
O01	C13	C08	N03	128.2°	0.0°
O01	C13	C08	C12	52.0°	179.7°
C13	O01	C17	H12	86.7°	59.9°
C13	O01	C17	H13	33.5°	60.1°
C13	C08	N03	C05	0.4°	0.2°
C13	C08	N03	C12	179.8°	179.8°
C13	C08	N03	C09	180.0°	179.7°
C13	C08	C12	N04	179.9°	179.7°
C13	C08	C12	H8	0.1°	0.3°
C07	C05	N03	H1	119.9°	120.0°
C07	C05	N03	C08	163.5°	120.0°
C07	C05	N03	C09	16.0°	60.0°
C05	C07	H2	H3	120.0°	120.0°
C05	C07	H2	H4	120.0°	120.1°
C05	C07	H3	H4	120.0°	120.1°
C05	N03	C08	C09	179.6°	179.9°
C05	N03	C08	C12	179.8°	179.9°
C05	N03	C09	N04	179.7°	179.9°
N03	C05	C07	H2	59.7°	60.0°
N03	C05	C07	H3	179.7°	179.9°
N03	C05	C07	H4	60.3°	60.0°
C05	N03	C09	H5	0.3°	0.1°
N03	C08	C12	N04	0.1°	0.0°
C08	N03	C09	N04	0.2°	0.0°
C08	N03	C05	H1	43.5°	0.1°
C08	N03	C09	H5	179.9°	180.0°
N03	C08	C12	H8	179.9°	180.0°
C12	C08	N03	C09	0.2°	0.0°
C08	C12	N04	H8	180.0°	180.0°
C08	C12	N04	C09	0.0°	0.0°
N03	C09	N04	C12	0.1°	0.0°
N03	C09	N04	H5	180.0°	180.0°
C09	N03	C05	H1	136.0°	180.0°
C12	N04	C09	H5	179.9°	180.0°
C09	N04	C12	H8	180.0°	180.0°
H1	C05	C07	H2	60.9°	60.0°
H1	C05	C07	H3	59.1°	60.0°
H1	C05	C07	H4	179.1°	180.0°
H2	C07	H3	H4	120.0°	119.9°
H6	C10	C14	H9	0.1°	0.2°
H7	C11	C15	H10	0.2°	0.0°
H9	C14	C16	H11	0.2°	0.3°
H10	C15	C16	H11	0.2°	0.3°
H12	C17	C18	H14	60.2°	60.0°
H12	C17	C18	H15	59.8°	180.0°
H12	C17	C18	H16	179.8°	60.0°
H13	C17	C18	H14	60.1°	180.0°
H13	C17	C18	H15	179.9°	60.0°
H13	C17	C18	H16	59.9°	60.0°
H14	C18	H15	H16	120.0°	120.1°

Release date:	2020-09-09
Definition date:	2020-07-14
Last modified:	2024-01-23
Release status:	REL
Processing site:	RCSB
Derived from:	6X3V