YDM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O04	C03	doub	1.21Å	1.18Å
C01	C02	sing	1.53Å	1.53Å
C02	C03	sing	1.51Å	1.53Å
C03	C05	sing	1.47Å	1.53Å
C06	C05	doub	1.41Å	1.39Å	Aromatic
C06	C07	sing	1.36Å	1.39Å	Aromatic
C05	C17	sing	1.39Å	1.39Å	Aromatic
C07	C08	doub	1.41Å	1.42Å	Aromatic
C17	C16	doub	1.40Å	1.43Å	Aromatic
C08	C16	sing	1.42Å	1.36Å	Aromatic
C08	C09	sing	1.40Å	1.43Å	Aromatic
C16	C15	sing	1.41Å	1.42Å	Aromatic
C09	C10	doub	1.38Å	1.39Å	Aromatic
C15	C14	doub	1.36Å	1.39Å	Aromatic
C10	C14	sing	1.40Å	1.39Å	Aromatic
C10	N11	sing	1.39Å	1.45Å
C13	N11	sing	1.46Å	1.45Å
N11	C12	sing	1.46Å	1.45Å
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C02	H9	sing	1.09Å	1.10Å
C02	H10	sing	1.09Å	1.10Å
C06	H11	sing	1.08Å	1.08Å
C07	H12	sing	1.08Å	1.08Å
C09	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C14	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O04	C03	C02	120.2°	120.0°
O04	C03	C05	117.5°	120.0°
C01	C02	C03	112.0°	109.4°
C02	C01	H6	109.5°	109.5°
C02	C01	H7	109.5°	109.4°
C02	C01	H8	109.5°	109.5°
C01	C02	H9	108.8°	109.5°
C01	C02	H10	108.8°	109.5°
C02	C03	C05	122.3°	120.0°
C03	C02	H9	108.8°	109.5°
C03	C02	H10	108.8°	109.5°
C03	C05	C06	117.4°	119.8°
C03	C05	C17	122.9°	119.8°
C05	C06	C07	121.8°	120.8°
C06	C05	C17	119.7°	120.4°
C05	C06	H11	119.1°	119.6°
C06	C07	C08	118.8°	120.1°
C07	C06	H11	119.1°	119.7°
C06	C07	H12	120.6°	119.9°
C05	C17	C16	118.6°	119.5°
C05	C17	H5	120.7°	120.3°
C07	C08	C16	119.8°	119.7°
C07	C08	C09	119.5°	120.9°
C08	C07	H12	120.6°	120.0°
C17	C16	C08	121.3°	119.5°
C17	C16	C15	119.8°	120.9°
C16	C17	H5	120.7°	120.2°
C16	C08	C09	120.7°	119.3°
C08	C16	C15	118.9°	119.6°
C08	C09	C10	119.6°	119.6°
C08	C09	H13	120.2°	120.2°
C16	C15	C14	121.0°	120.0°
C16	C15	H4	119.5°	120.1°
C09	C10	C14	120.0°	120.7°
C09	C10	N11	120.4°	119.6°
C10	C09	H13	120.2°	120.2°
C15	C14	C10	119.7°	120.8°
C14	C15	H4	119.5°	120.0°
C15	C14	H17	120.2°	119.6°
C14	C10	N11	119.6°	119.7°
C10	C14	H17	120.1°	119.6°
C10	N11	C13	120.2°	120.0°
C10	N11	C12	119.5°	120.0°
C13	N11	C12	120.3°	120.0°
N11	C13	H1	109.5°	109.5°
N11	C13	H2	109.5°	109.5°
N11	C13	H3	109.5°	109.5°
N11	C12	H14	109.5°	109.5°
N11	C12	H15	109.5°	109.4°
N11	C12	H16	109.5°	109.5°
H1	C13	H2	109.5°	109.5°
H1	C13	H3	109.5°	109.5°
H2	C13	H3	109.5°	109.4°
H6	C01	H7	109.5°	109.5°
H6	C01	H8	109.4°	109.5°
H7	C01	H8	109.5°	109.5°
H9	C02	H10	109.5°	109.5°
H14	C12	H15	109.5°	109.4°
H14	C12	H16	109.5°	109.5°
H15	C12	H16	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O04	C03	C02	C01	60.9°	0.1°
O04	C03	C02	C05	179.6°	179.9°
O04	C03	C05	C06	2.0°	180.0°
O04	C03	C05	C17	178.9°	0.1°
O04	C03	C02	H9	178.8°	120.0°
O04	C03	C02	H10	59.5°	119.9°
C01	C02	C03	H9	120.4°	120.0°
C01	C02	C03	H10	120.4°	120.0°
C01	C02	C03	C05	119.6°	180.0°
C02	C01	H6	H7	120.0°	119.9°
C02	C01	H6	H8	120.0°	120.0°
C02	C01	H7	H8	120.0°	120.0°
C01	C02	H9	H10	118.9°	120.0°
C02	C03	C05	C06	178.5°	0.1°
C02	C03	C05	C17	0.6°	180.0°
C03	C02	C01	H6	180.0°	60.0°
C03	C02	C01	H7	60.0°	180.0°
C03	C02	C01	H8	60.0°	60.0°
C03	C02	H9	H10	118.9°	120.1°
C03	C05	C06	C17	179.1°	179.9°
C03	C05	C06	C07	179.6°	179.9°
C03	C05	C17	C16	179.8°	179.9°
C03	C05	C17	H5	0.2°	0.1°
C05	C03	C02	H9	0.8°	60.1°
C05	C03	C02	H10	120.1°	60.0°
C03	C05	C06	H11	0.4°	0.0°
C05	C06	C07	H11	180.0°	179.9°
C05	C06	C07	C08	1.1°	0.0°
C06	C05	C17	C16	0.7°	0.0°
C06	C05	C17	H5	179.3°	180.0°
C05	C06	C07	H12	178.9°	180.0°
C07	C06	C05	C17	1.3°	0.0°
C06	C07	C08	H12	180.0°	179.9°
C06	C07	C08	C16	0.4°	0.0°
C06	C07	C08	C09	179.4°	179.2°
C05	C17	C16	H5	180.0°	180.0°
C05	C17	C16	C08	0.0°	0.0°
C05	C17	C16	C15	179.8°	179.9°
C17	C05	C06	H11	178.7°	179.9°
C07	C08	C16	C17	0.2°	0.0°
C07	C08	C16	C09	179.8°	179.2°
C07	C08	C16	C15	179.7°	180.0°
C07	C08	C09	C10	179.9°	179.7°
C08	C07	C06	H11	178.9°	180.0°
C07	C08	C09	H13	0.1°	0.3°
C17	C16	C08	C15	179.9°	179.9°
C17	C16	C08	C09	180.0°	179.2°
C17	C16	C15	C14	179.8°	179.5°
C17	C16	C15	H4	0.2°	0.6°
C16	C08	C09	C10	0.1°	0.5°
C08	C16	C15	C14	0.3°	0.5°
C08	C16	C15	H4	179.7°	179.5°
C08	C16	C17	H5	180.0°	180.0°
C16	C08	C07	H12	179.6°	180.0°
C16	C08	C09	H13	179.9°	179.5°
C09	C08	C16	C15	0.1°	0.7°
C08	C09	C10	H13	180.0°	180.0°
C08	C09	C10	C14	0.1°	0.0°
C08	C09	C10	N11	179.9°	179.7°
C09	C08	C07	H12	0.6°	0.8°
C16	C15	C14	H4	180.0°	179.9°
C16	C15	C14	C10	0.4°	0.0°
C15	C16	C17	H5	0.2°	0.0°
C16	C15	C14	H17	179.6°	180.0°
C09	C10	C14	C15	0.2°	0.3°
C09	C10	C14	N11	179.9°	179.7°
C09	C10	N11	C13	0.3°	179.7°
C09	C10	N11	C12	179.9°	0.3°
C09	C10	C14	H17	179.8°	179.8°
C15	C14	C10	H17	180.0°	180.0°
C15	C14	C10	N11	179.7°	180.0°
C14	C10	N11	C13	179.8°	0.0°
C14	C10	N11	C12	0.2°	180.0°
C10	C14	C15	H4	179.6°	180.0°
C14	C10	C09	H13	179.9°	180.0°
C10	N11	C13	C12	179.5°	180.0°
C10	N11	C13	H1	180.0°	90.0°
C10	N11	C13	H2	60.0°	150.0°
C10	N11	C13	H3	60.0°	30.0°
N11	C10	C09	H13	0.0°	0.3°
C10	N11	C12	H14	180.0°	90.0°
C10	N11	C12	H15	60.0°	150.0°
C10	N11	C12	H16	60.0°	30.0°
N11	C10	C14	H17	0.3°	0.0°
N11	C13	H1	H2	120.0°	120.0°
N11	C13	H1	H3	120.0°	120.0°
N11	C13	H2	H3	120.0°	120.0°
C13	N11	C12	H14	0.5°	90.0°
C13	N11	C12	H15	120.5°	30.0°
C13	N11	C12	H16	119.6°	150.0°
C12	N11	C13	H1	0.5°	90.0°
C12	N11	C13	H2	119.6°	30.0°
C12	N11	C13	H3	120.5°	150.0°
N11	C12	H14	H15	120.0°	119.9°
N11	C12	H14	H16	120.0°	120.1°
N11	C12	H15	H16	120.0°	120.0°
H1	C13	H2	H3	120.0°	120.0°
H4	C15	C14	H17	0.4°	0.1°
H6	C01	H7	H8	120.0°	120.1°
H6	C01	C02	H9	59.7°	180.0°
H6	C01	C02	H10	59.6°	60.0°
H7	C01	C02	H9	60.4°	60.0°
H7	C01	C02	H10	179.6°	59.9°
H8	C01	C02	H9	179.6°	60.0°
H8	C01	C02	H10	60.4°	180.0°
H11	C06	C07	H12	1.1°	0.1°
H14	C12	H15	H16	120.0°	120.0°

Release date:	2023-08-30
Definition date:	2023-01-26
Last modified:	2023-08-25
Release status:	REL
Processing site:	RCSB
Derived from:	8FXT