AI0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O08	N07	sing	1.42Å	1.23Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.41Å	Aromatic
C09	N07	sing	1.46Å	1.52Å
C09	C10	sing	1.51Å	1.49Å
N07	C06	doub	1.29Å	1.35Å
C12	C13	sing	1.38Å	1.40Å	Aromatic
C10	C15	doub	1.38Å	1.39Å	Aromatic
C16	C17	doub	1.36Å	1.38Å	Aromatic
C16	C05	sing	1.41Å	1.45Å	Aromatic
C06	C05	sing	1.48Å	1.53Å
C17	C18	sing	1.41Å	1.44Å	Aromatic
C05	N04	doub	1.32Å	1.35Å	Aromatic
C13	C14	doub	1.38Å	1.40Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C18	C03	doub	1.42Å	1.41Å	Aromatic
C18	C19	sing	1.40Å	1.43Å	Aromatic
N04	C03	sing	1.33Å	1.40Å	Aromatic
C03	C02	sing	1.41Å	1.46Å	Aromatic
C19	C20	doub	1.36Å	1.38Å	Aromatic
C20	C21	sing	1.39Å	1.41Å	Aromatic
C02	O01	sing	1.36Å	1.36Å
C02	C21	doub	1.37Å	1.39Å	Aromatic
C13	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C21	H5	sing	1.08Å	1.08Å
C06	H6	sing	1.08Å	1.08Å
C09	H8	sing	1.09Å	1.10Å
C09	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
O01	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O08	N07	C09	117.4°	120.0°
O08	N07	C06	123.9°	120.0°
C12	C11	C10	120.9°	120.0°
C11	C12	C13	119.3°	120.0°
C12	C11	H10	119.6°	120.0°
C11	C12	H11	120.3°	120.0°
C11	C10	C09	119.1°	120.0°
C11	C10	C15	118.5°	120.0°
C10	C11	H10	119.5°	120.0°
N07	C09	C10	113.9°	109.4°
C09	N07	C06	118.7°	120.0°
N07	C09	H8	108.3°	109.5°
N07	C09	H9	108.4°	109.5°
C09	C10	C15	122.4°	120.0°
C10	C09	H8	108.4°	109.5°
C10	C09	H9	108.4°	109.5°
N07	C06	C05	127.7°	120.0°
N07	C06	H6	116.2°	120.0°
C12	C13	C14	120.0°	120.0°
C12	C13	H1	120.0°	119.9°
C13	C12	H11	120.4°	120.0°
C10	C15	C14	121.2°	120.1°
C10	C15	H2	119.4°	120.0°
C17	C16	C05	119.1°	119.8°
C16	C17	C18	122.6°	118.3°
C16	C17	H3	118.7°	120.9°
C17	C16	H13	120.5°	120.1°
C16	C05	C06	121.7°	119.2°
C16	C05	N04	119.3°	121.5°
C05	C16	H13	120.4°	120.1°
C06	C05	N04	119.0°	119.3°
C05	C06	H6	116.2°	120.0°
C17	C18	C03	115.2°	119.2°
C17	C18	C19	125.4°	121.2°
C18	C17	H3	118.7°	120.9°
C05	N04	C03	120.8°	121.3°
C13	C14	C15	120.2°	120.0°
C14	C13	H1	120.0°	120.1°
C13	C14	H12	119.9°	120.0°
C14	C15	H2	119.4°	120.0°
C15	C14	H12	119.9°	120.0°
C03	C18	C19	119.4°	119.6°
C18	C03	N04	123.1°	120.0°
C18	C03	C02	117.2°	119.1°
C18	C19	C20	121.7°	119.8°
C18	C19	H14	119.1°	120.1°
N04	C03	C02	119.7°	121.0°
C03	C02	O01	115.8°	120.2°
C03	C02	C21	122.7°	119.6°
C19	C20	C21	120.5°	121.0°
C19	C20	H4	119.8°	119.5°
C20	C19	H14	119.1°	120.1°
C20	C21	C02	118.4°	121.0°
C21	C20	H4	119.7°	119.5°
C20	C21	H5	120.8°	119.5°
O01	C02	C21	121.5°	120.2°
C02	O01	H15	109.5°	114.0°
C02	C21	H5	120.8°	119.5°
H8	C09	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O08	N07	C09	C06	179.3°	180.0°
O08	N07	C09	C10	172.9°	65.0°
O08	N07	C06	C05	0.6°	0.0°
O08	N07	C06	H6	179.4°	180.0°
O08	N07	C09	H8	52.2°	175.0°
O08	N07	C09	H9	66.5°	55.0°
C12	C11	C10	H10	180.0°	179.9°
C12	C11	C10	C09	178.3°	179.7°
C11	C12	C13	H11	180.0°	180.0°
C12	C11	C10	C15	0.4°	0.1°
C11	C12	C13	C14	0.4°	0.3°
C11	C12	C13	H1	179.6°	179.7°
C11	C10	C09	N07	84.7°	89.7°
C11	C10	C09	C15	178.7°	179.8°
C10	C11	C12	C13	0.5°	0.0°
C11	C10	C15	C14	0.2°	0.3°
C11	C10	C15	H2	179.8°	179.7°
C11	C10	C09	H8	35.9°	30.2°
C11	C10	C09	H9	154.6°	150.3°
C10	C11	C12	H11	179.5°	180.0°
N07	C09	C10	H8	120.6°	120.0°
N07	C09	C10	H9	120.7°	120.0°
N07	C09	C10	C15	94.0°	90.0°
C09	N07	C06	C05	179.8°	180.0°
C09	N07	C06	H6	0.2°	0.0°
N07	C09	H8	H9	118.0°	120.0°
C10	C09	N07	C06	7.9°	115.0°
C09	C10	C15	C14	178.5°	180.0°
C09	C10	C15	H2	1.5°	0.1°
C10	C09	H8	H9	118.0°	120.0°
C09	C10	C11	H10	1.7°	0.2°
N07	C06	C05	C16	6.7°	179.1°
N07	C06	C05	H6	180.0°	180.0°
N07	C06	C05	N04	173.5°	0.0°
C06	N07	C09	H8	128.5°	5.0°
C06	N07	C09	H9	112.8°	125.0°
C12	C13	C14	H1	180.0°	179.3°
C12	C13	C14	C15	0.2°	0.6°
C13	C12	C11	H10	179.5°	180.0°
C12	C13	C14	H12	179.8°	179.9°
C10	C15	C14	C13	0.1°	0.6°
C10	C15	C14	H2	180.0°	180.0°
C15	C10	C09	H8	145.4°	150.0°
C15	C10	C09	H9	26.7°	30.0°
C15	C10	C11	H10	179.6°	180.0°
C10	C15	C14	H12	179.9°	179.9°
C17	C16	C05	H13	180.0°	179.9°
C17	C16	C05	C06	179.4°	179.6°
C16	C17	C18	H3	180.0°	179.7°
C17	C16	C05	N04	0.3°	0.6°
C16	C17	C18	C03	0.6°	0.3°
C16	C17	C18	C19	179.9°	179.7°
C16	C05	C06	N04	179.7°	179.1°
C05	C16	C17	C18	0.6°	0.0°
C16	C05	N04	C03	0.1°	1.0°
C05	C16	C17	H3	179.4°	179.8°
C16	C05	C06	H6	173.2°	0.9°
C06	C05	N04	C03	179.7°	180.0°
C06	C05	C16	H13	0.6°	0.3°
C17	C18	C03	C19	179.6°	180.0°
C17	C18	C03	N04	0.3°	0.0°
C17	C18	C03	C02	179.9°	180.0°
C17	C18	C19	C20	179.9°	180.0°
C18	C17	C16	H13	179.4°	180.0°
C17	C18	C19	H14	0.1°	0.0°
C05	N04	C03	C18	0.1°	0.7°
C05	N04	C03	C02	179.6°	179.3°
N04	C05	C06	H6	6.5°	180.0°
N04	C05	C16	H13	179.7°	179.4°
C13	C14	C15	H12	180.0°	179.3°
C13	C14	C15	H2	179.9°	179.3°
C14	C13	C12	H11	179.6°	179.6°
C15	C14	C13	H1	179.8°	180.0°
C18	C03	N04	C02	179.5°	180.0°
C03	C18	C19	C20	0.4°	0.0°
C18	C03	C02	O01	179.8°	180.0°
C18	C03	C02	C21	0.4°	0.1°
C03	C18	C17	H3	179.4°	180.0°
C03	C18	C19	H14	179.6°	180.0°
C19	C18	C03	N04	179.9°	180.0°
C19	C18	C03	C02	0.6°	0.0°
C18	C19	C20	H14	180.0°	180.0°
C18	C19	C20	C21	0.1°	0.0°
C19	C18	C17	H3	0.1°	0.0°
C18	C19	C20	H4	179.9°	180.0°
N04	C03	C02	O01	0.2°	0.1°
N04	C03	C02	C21	179.9°	180.0°
C03	C02	C21	C20	0.1°	0.1°
C03	C02	O01	C21	179.9°	179.9°
C03	C02	C21	H5	179.9°	180.0°
C03	C02	O01	H15	180.0°	90.0°
C19	C20	C21	H4	180.0°	180.0°
C19	C20	C21	C02	0.3°	0.0°
C19	C20	C21	H5	179.7°	180.0°
C20	C21	C02	O01	179.8°	180.0°
C20	C21	C02	H5	180.0°	179.9°
C21	C20	C19	H14	179.9°	180.0°
O01	C02	C21	H5	0.2°	0.1°
C02	C21	C20	H4	179.7°	180.0°
C21	C02	O01	H15	0.2°	90.0°
H1	C13	C12	H11	0.5°	0.3°
H1	C13	C14	H12	0.2°	0.7°
H2	C15	C14	H12	0.1°	0.0°
H3	C17	C16	H13	0.6°	0.3°
H4	C20	C21	H5	0.3°	0.0°
H4	C20	C19	H14	0.1°	0.0°
H10	C11	C12	H11	0.5°	0.1°

Release date:	2022-11-30
Definition date:	2021-11-26
Last modified:	2022-11-25
Release status:	REL
Processing site:	PDBE
Derived from:	7QBQ