UG2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.53Å
C18	C02	doub	1.38Å	1.39Å	Aromatic
C18	C17	sing	1.38Å	1.39Å	Aromatic
C02	C03	sing	1.38Å	1.39Å	Aromatic
C17	C05	doub	1.39Å	1.39Å	Aromatic
C03	C04	doub	1.38Å	1.39Å	Aromatic
C05	C04	sing	1.39Å	1.39Å	Aromatic
C05	N06	sing	1.40Å	1.46Å
N06	C16	sing	1.37Å	1.31Å	Aromatic
N06	C07	sing	1.37Å	1.34Å	Aromatic
C16	C15	doub	1.35Å	1.37Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C13	C08	sing	1.40Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C07	C08	sing	1.48Å	1.52Å
C07	N14	doub	1.31Å	1.34Å	Aromatic
C08	C09	doub	1.40Å	1.38Å	Aromatic
C15	N14	sing	1.34Å	1.32Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C09	C10	sing	1.38Å	1.38Å	Aromatic
C01	O1	sing	1.43Å	1.43Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C03	H3	sing	1.08Å	1.08Å
C04	H4	sing	1.08Å	1.08Å
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
C13	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C17	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
O1	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C18	120.5°	119.9°
C01	C02	C03	119.3°	119.9°
C02	C01	O1	119.6°	109.5°
C02	C01	H1	106.9°	109.5°
C02	C01	H2	106.9°	109.5°
C02	C18	C17	119.9°	120.1°
C18	C02	C03	120.2°	120.1°
C02	C18	H13	120.1°	120.0°
C18	C17	C05	120.4°	120.0°
C18	C17	H12	119.8°	120.0°
C17	C18	H13	120.0°	120.0°
C02	C03	C04	119.6°	120.1°
C02	C03	H3	120.2°	120.0°
C17	C05	C04	119.2°	119.9°
C17	C05	N06	119.9°	120.1°
C05	C17	H12	119.8°	120.0°
C03	C04	C05	120.6°	119.9°
C04	C03	H3	120.2°	120.0°
C03	C04	H4	119.7°	120.1°
C04	C05	N06	120.9°	120.1°
C05	C04	H4	119.7°	120.0°
C05	N06	C16	124.8°	126.5°
C05	N06	C07	127.3°	126.5°
C16	N06	C07	107.9°	106.9°
N06	C16	C15	108.3°	107.0°
N06	C16	H11	125.8°	126.5°
N06	C07	C08	127.4°	125.8°
N06	C07	N14	108.2°	108.3°
C16	C15	N14	107.5°	108.5°
C16	C15	H10	126.2°	125.8°
C15	C16	H11	125.8°	126.5°
C12	C13	C08	121.3°	119.8°
C13	C12	C11	119.9°	120.2°
C13	C12	H8	120.1°	119.9°
C12	C13	H9	119.3°	120.1°
C13	C08	C07	122.4°	120.1°
C13	C08	C09	119.2°	119.7°
C08	C13	H9	119.4°	120.1°
C12	C11	C10	118.1°	120.3°
C12	C11	H7	120.9°	119.9°
C11	C12	H8	120.1°	119.9°
C08	C07	N14	124.4°	125.8°
C07	C08	C09	118.4°	120.1°
C07	N14	C15	108.0°	109.3°
C08	C09	C10	118.9°	119.8°
C08	C09	H5	120.6°	120.1°
N14	C15	H10	126.2°	125.7°
C11	C10	C09	122.7°	120.1°
C11	C10	H6	118.6°	119.9°
C10	C11	H7	121.0°	119.8°
C10	C09	H5	120.6°	120.0°
C09	C10	H6	118.7°	120.0°
O1	C01	H1	106.9°	109.4°
O1	C01	H2	106.9°	109.4°
C01	O1	H14	109.5°	114.0°
H1	C01	H2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C18	C03	179.7°	179.7°
C01	C02	C18	C17	179.9°	179.7°
C01	C02	C03	C04	180.0°	179.9°
C02	C01	O1	H1	121.4°	120.0°
C02	C01	O1	H2	121.4°	120.0°
C02	C01	H1	H2	115.4°	120.0°
C01	C02	C03	H3	0.0°	0.0°
C01	C02	C18	H13	0.1°	0.0°
C02	C01	O1	H14	180.0°	180.0°
C02	C18	C17	H13	180.0°	179.7°
C02	C18	C17	C05	0.1°	0.5°
C18	C02	C03	C04	0.3°	0.3°
C18	C02	C01	O1	18.9°	90.3°
C18	C02	C01	H1	102.6°	29.7°
C18	C02	C01	H2	140.3°	149.7°
C18	C02	C03	H3	179.7°	179.7°
C02	C18	C17	H12	179.9°	179.7°
C17	C18	C02	C03	0.2°	0.6°
C18	C17	C05	H12	180.0°	179.8°
C18	C17	C05	C04	0.3°	0.3°
C18	C17	C05	N06	179.8°	179.8°
C02	C03	C04	H3	180.0°	179.9°
C02	C03	C04	C05	0.1°	0.0°
C03	C02	C01	O1	160.8°	90.0°
C03	C02	C01	H1	77.8°	150.0°
C03	C02	C01	H2	39.4°	30.0°
C02	C03	C04	H4	179.9°	180.0°
C03	C02	C18	H13	179.8°	179.7°
C17	C05	C04	C03	0.2°	0.0°
C17	C05	C04	N06	179.9°	180.0°
C17	C05	N06	C16	58.1°	123.2°
C17	C05	N06	C07	120.7°	56.7°
C17	C05	C04	H4	179.8°	180.0°
C05	C17	C18	H13	179.9°	179.8°
C03	C04	C05	H4	180.0°	180.0°
C03	C04	C05	N06	179.9°	180.0°
C04	C05	N06	C16	122.0°	56.7°
C04	C05	N06	C07	59.2°	123.3°
C05	C04	C03	H3	179.9°	180.0°
C04	C05	C17	H12	179.7°	180.0°
C05	N06	C16	C07	179.0°	179.9°
C05	N06	C16	C15	179.5°	179.9°
C05	N06	C07	C08	1.6°	0.1°
C05	N06	C07	N14	179.7°	179.8°
N06	C05	C04	H4	0.1°	0.0°
C05	N06	C16	H11	0.5°	0.0°
N06	C05	C17	H12	0.2°	0.0°
N06	C16	C15	H11	180.0°	179.9°
C16	N06	C07	C08	179.4°	180.0°
C16	N06	C07	N14	0.8°	0.2°
N06	C16	C15	N14	0.1°	0.1°
N06	C16	C15	H10	179.9°	179.9°
C07	N06	C16	C15	0.5°	0.2°
N06	C07	C08	C13	31.5°	20.4°
N06	C07	C08	N14	178.5°	179.7°
N06	C07	C08	C09	148.3°	159.9°
N06	C07	N14	C15	0.7°	0.2°
C07	N06	C16	H11	179.5°	179.9°
C16	C15	N14	C07	0.4°	0.1°
C16	C15	N14	H10	180.0°	180.0°
C12	C13	C08	H9	180.0°	179.4°
C13	C12	C11	H8	180.0°	179.7°
C12	C13	C08	C07	179.0°	179.7°
C12	C13	C08	C09	0.8°	0.6°
C13	C12	C11	C10	0.6°	0.3°
C13	C12	C11	H7	179.4°	179.6°
C08	C13	C12	C11	1.2°	0.6°
C13	C08	C07	C09	179.8°	179.7°
C13	C08	C07	N14	150.1°	159.3°
C13	C08	C09	C10	0.2°	0.3°
C13	C08	C09	H5	179.8°	179.7°
C08	C13	C12	H8	178.8°	179.7°
C12	C11	C10	H7	180.0°	179.9°
C12	C11	C10	C09	0.4°	0.1°
C12	C11	C10	H6	179.6°	179.9°
C11	C12	C13	H9	178.8°	180.0°
C08	C07	N14	C15	179.4°	179.9°
C07	C08	C09	C10	179.9°	180.0°
C07	C08	C09	H5	0.0°	0.0°
C07	C08	C13	H9	1.0°	0.3°
N14	C07	C08	C09	30.2°	20.4°
C07	N14	C15	H10	179.6°	179.9°
C08	C09	C10	C11	0.8°	0.1°
C08	C09	C10	H5	180.0°	180.0°
C08	C09	C10	H6	179.2°	179.9°
C09	C08	C13	H9	179.2°	180.0°
N14	C15	C16	H11	179.9°	180.0°
C11	C10	C09	H6	180.0°	179.9°
C11	C10	C09	H5	179.2°	179.9°
C10	C11	C12	H8	179.4°	180.0°
C09	C10	C11	H7	179.6°	180.0°
O1	C01	H1	H2	115.4°	119.9°
H1	C01	O1	H14	58.6°	60.0°
H2	C01	O1	H14	58.6°	59.9°
H3	C03	C04	H4	0.1°	0.1°
H5	C09	C10	H6	0.8°	0.0°
H6	C10	C11	H7	0.4°	0.2°
H7	C11	C12	H8	0.6°	0.1°
H8	C12	C13	H9	1.2°	0.3°
H10	C15	C16	H11	0.1°	0.0°
H12	C17	C18	H13	0.1°	0.0°

Release date:	2021-06-16
Definition date:	2021-02-16
Last modified:	2021-06-11
Release status:	REL
Processing site:	PDBE
Derived from:	7NJA