V95

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C19	doub	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.38Å	Aromatic
C21	C22	doub	1.38Å	1.39Å	Aromatic
C18	C17	doub	1.40Å	1.39Å	Aromatic
C22	C17	sing	1.40Å	1.39Å	Aromatic
C17	C15	sing	1.48Å	1.53Å
C15	O16	doub	1.22Å	1.18Å
C15	C12	sing	1.47Å	1.53Å
C13	C12	doub	1.40Å	1.40Å	Aromatic
C13	C14	sing	1.36Å	1.39Å	Aromatic
C12	C11	sing	1.40Å	1.39Å	Aromatic
C14	C08	doub	1.40Å	1.42Å	Aromatic
C11	C09	doub	1.38Å	1.43Å	Aromatic
C08	C09	sing	1.41Å	1.36Å	Aromatic
C08	N07	sing	1.35Å	1.36Å	Aromatic
C09	N10	sing	1.39Å	1.36Å	Aromatic
N07	C06	doub	1.31Å	1.33Å	Aromatic
N10	C06	sing	1.36Å	1.33Å	Aromatic
C06	N05	sing	1.38Å	1.45Å
N05	C03	sing	1.35Å	1.44Å
O04	C03	doub	1.21Å	1.19Å
C03	O02	sing	1.35Å	1.40Å
O02	C01	sing	1.45Å	1.39Å
C11	H111	sing	1.08Å	1.08Å
C01	H012	sing	1.09Å	1.10Å
C01	H011	sing	1.09Å	1.10Å
C01	H013	sing	1.09Å	1.10Å
C13	H131	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
C22	H221	sing	1.08Å	1.08Å
N05	H051	sing	0.97Å	1.00Å
N10	H101	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C20	C21	119.9°	120.3°
C20	C19	C18	119.9°	120.2°
C20	C19	H191	120.1°	120.0°
C19	C20	H201	120.0°	119.8°
C20	C21	C22	120.2°	120.2°
C21	C20	H201	120.1°	119.9°
C20	C21	H211	119.9°	119.9°
C19	C18	C17	120.4°	119.8°
C19	C18	H181	119.8°	120.1°
C18	C19	H191	120.0°	119.9°
C21	C22	C17	120.0°	119.9°
C22	C21	H211	119.9°	119.9°
C21	C22	H221	120.0°	120.1°
C18	C17	C22	119.6°	119.7°
C18	C17	C15	119.2°	120.1°
C17	C18	H181	119.8°	120.0°
C22	C17	C15	121.2°	120.2°
C17	C22	H221	120.0°	120.0°
C17	C15	O16	119.2°	120.0°
C17	C15	C12	121.9°	120.0°
O16	C15	C12	118.9°	120.0°
C15	C12	C13	120.6°	120.0°
C15	C12	C11	119.5°	119.9°
C12	C13	C14	120.1°	120.5°
C13	C12	C11	119.9°	120.1°
C12	C13	H131	119.9°	119.7°
C13	C14	C08	119.9°	120.1°
C14	C13	H131	119.9°	119.8°
C13	C14	H141	120.0°	119.9°
C12	C11	C09	120.0°	119.5°
C12	C11	H111	120.0°	120.2°
C14	C08	C09	120.2°	119.7°
C14	C08	N07	132.4°	133.2°
C08	C14	H141	120.0°	119.9°
C11	C09	C08	119.8°	120.1°
C11	C09	N10	133.3°	133.9°
C09	C11	H111	120.0°	120.2°
C09	C08	N07	107.4°	107.1°
C08	C09	N10	106.9°	106.1°
C08	N07	C06	108.4°	109.8°
C09	N10	C06	108.8°	107.0°
C09	N10	H101	125.6°	126.4°
N07	C06	N10	108.5°	109.9°
N07	C06	N05	125.2°	125.0°
N10	C06	N05	126.3°	125.0°
C06	N10	H101	125.6°	126.5°
C06	N05	C03	120.4°	120.0°
C06	N05	H051	119.8°	120.0°
N05	C03	O04	119.8°	120.0°
N05	C03	O02	118.5°	120.0°
C03	N05	H051	119.8°	120.0°
O04	C03	O02	121.7°	120.0°
C03	O02	C01	116.2°	117.0°
O02	C01	H012	109.5°	109.5°
O02	C01	H011	109.5°	109.4°
O02	C01	H013	109.5°	109.5°
H012	C01	H011	109.4°	109.5°
H012	C01	H013	109.5°	109.5°
H011	C01	H013	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C20	C21	H201	180.0°	179.9°
C20	C19	C18	H191	180.0°	179.9°
C19	C20	C21	C22	0.2°	0.2°
C20	C19	C18	C17	0.2°	0.0°
C20	C19	C18	H181	179.8°	180.0°
C19	C20	C21	H211	179.8°	179.9°
C21	C20	C19	C18	0.2°	0.0°
C20	C21	C22	H211	180.0°	179.8°
C20	C21	C22	C17	0.2°	0.6°
C21	C20	C19	H191	179.8°	180.0°
C20	C21	C22	H221	179.8°	180.0°
C19	C18	C17	H181	180.0°	180.0°
C19	C18	C17	C22	0.1°	0.3°
C19	C18	C17	C15	179.9°	179.9°
C18	C19	C20	H201	179.8°	180.0°
C21	C22	C17	C18	0.1°	0.6°
C21	C22	C17	H221	180.0°	179.4°
C21	C22	C17	C15	179.9°	179.8°
C22	C21	C20	H201	179.8°	179.7°
C18	C17	C22	C15	179.8°	179.6°
C18	C17	C15	O16	32.5°	7.6°
C18	C17	C15	C12	147.5°	172.4°
C17	C18	C19	H191	179.8°	179.9°
C18	C17	C22	H221	179.9°	180.0°
C22	C17	C15	O16	147.3°	172.1°
C22	C17	C15	C12	32.8°	7.9°
C22	C17	C18	H181	179.9°	179.7°
C17	C22	C21	H211	179.8°	179.6°
C17	C15	O16	C12	180.0°	180.0°
C17	C15	C12	C13	24.9°	146.0°
C17	C15	C12	C11	155.4°	34.0°
C15	C17	C18	H181	0.1°	0.1°
C15	C17	C22	H221	0.1°	0.3°
O16	C15	C12	C13	155.1°	34.0°
O16	C15	C12	C11	24.7°	146.0°
C15	C12	C13	C11	179.8°	180.0°
C15	C12	C13	C14	180.0°	179.9°
C15	C12	C11	C09	179.7°	180.0°
C15	C12	C11	H111	0.2°	0.2°
C15	C12	C13	H131	0.0°	0.0°
C12	C13	C14	H131	180.0°	179.9°
C12	C13	C14	C08	0.3°	0.2°
C13	C12	C11	C09	0.1°	0.0°
C13	C12	C11	H111	180.0°	179.8°
C12	C13	C14	H141	179.7°	180.0°
C14	C13	C12	C11	0.2°	0.1°
C13	C14	C08	H141	180.0°	179.7°
C13	C14	C08	C09	0.0°	0.5°
C13	C14	C08	N07	179.9°	179.8°
C12	C11	C09	H111	180.0°	179.8°
C12	C11	C09	C08	0.3°	0.3°
C12	C11	C09	N10	179.8°	179.7°
C11	C12	C13	H131	179.8°	180.0°
C14	C08	C09	C11	0.2°	0.6°
C14	C08	C09	N07	179.9°	179.5°
C14	C08	C09	N10	179.9°	179.5°
C14	C08	N07	C06	179.7°	179.3°
C08	C14	C13	H131	179.8°	179.7°
C11	C09	C08	N10	179.6°	180.0°
C11	C09	C08	N07	179.6°	180.0°
C11	C09	N10	C06	179.4°	180.0°
C11	C09	N10	H101	0.6°	0.0°
C09	C08	N07	C06	0.2°	0.0°
C08	C09	N10	C06	0.2°	0.0°
C08	C09	C11	H111	179.8°	179.9°
C09	C08	C14	H141	179.9°	179.7°
C08	C09	N10	H101	179.8°	179.9°
N07	C08	C09	N10	0.0°	0.0°
C08	N07	C06	N10	0.3°	0.1°
C08	N07	C06	N05	179.5°	179.9°
N07	C08	C14	H141	0.1°	0.4°
C09	N10	C06	N07	0.3°	0.1°
C09	N10	C06	H101	180.0°	180.0°
C09	N10	C06	N05	179.5°	179.9°
N10	C09	C11	H111	0.2°	0.0°
N07	C06	N10	N05	179.2°	179.9°
N07	C06	N05	C03	178.8°	180.0°
N07	C06	N05	H051	1.2°	0.2°
N07	C06	N10	H101	179.7°	179.9°
N10	C06	N05	C03	0.3°	0.1°
N10	C06	N05	H051	179.7°	180.0°
C06	N05	C03	H051	180.0°	179.9°
C06	N05	C03	O04	0.5°	0.1°
C06	N05	C03	O02	178.8°	180.0°
N05	C06	N10	H101	0.5°	0.0°
N05	C03	O04	O02	179.3°	179.9°
N05	C03	O02	C01	168.5°	179.9°
O04	C03	O02	C01	12.2°	0.0°
O04	C03	N05	H051	179.5°	180.0°
C03	O02	C01	H012	180.0°	180.0°
C03	O02	C01	H011	60.0°	60.0°
C03	O02	C01	H013	60.0°	60.0°
O02	C03	N05	H051	1.2°	0.1°
O02	C01	H012	H011	120.0°	120.0°
O02	C01	H012	H013	120.0°	120.0°
O02	C01	H011	H013	120.0°	120.0°
H012	C01	H011	H013	120.0°	120.0°
H131	C13	C14	H141	0.3°	0.0°
H181	C18	C19	H191	0.2°	0.0°
H191	C19	C20	H201	0.2°	0.1°
H201	C20	C21	H211	0.2°	0.1°
H211	C21	C22	H221	0.2°	0.2°

Release date:	2022-04-06
Definition date:	2021-04-30
Last modified:	2022-04-01
Release status:	REL
Processing site:	PDBE
Derived from:	7ODN