64Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	sing	1.51Å	1.51Å
C01	C02	sing	1.51Å	1.50Å
C02	C03	sing	1.40Å	1.39Å	Aromatic
C02	N18	doub	1.32Å	1.35Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C10	C09	sing	1.38Å	1.38Å	Aromatic
C11	C06	sing	1.39Å	1.40Å	Aromatic
C03	C04	doub	1.37Å	1.39Å	Aromatic
N18	C17	sing	1.34Å	1.36Å	Aromatic
C09	C08	doub	1.38Å	1.38Å	Aromatic
C04	N05	sing	1.38Å	1.42Å
C04	N13	sing	1.37Å	1.37Å	Aromatic
C17	N13	sing	1.37Å	1.32Å	Aromatic
C17	N16	doub	1.32Å	1.38Å	Aromatic
C06	N05	sing	1.40Å	1.42Å
C06	C07	doub	1.39Å	1.38Å	Aromatic
N13	C14	sing	1.36Å	1.38Å	Aromatic
N16	N15	sing	1.29Å	1.36Å	Aromatic
C08	C07	sing	1.38Å	1.38Å	Aromatic
C14	N15	doub	1.31Å	1.34Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.08Å	1.08Å
N05	H6	sing	0.97Å	1.00Å
C07	H7	sing	1.08Å	1.08Å
C08	H8	sing	1.08Å	1.08Å
C09	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C10	116.1°	120.0°
C12	C11	C06	123.7°	120.1°
C11	C12	H10	109.5°	109.4°
C11	C12	H11	109.5°	109.5°
C11	C12	H12	109.5°	109.5°
C01	C02	C03	120.2°	119.7°
C01	C02	N18	120.3°	119.7°
C02	C01	H2	109.5°	109.4°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.4°
C03	C02	N18	119.5°	120.5°
C02	C03	C04	119.7°	119.3°
C02	C03	H5	120.2°	120.3°
C02	N18	C17	120.2°	121.0°
C11	C10	C09	119.6°	120.1°
C10	C11	C06	120.2°	119.9°
C11	C10	H1	120.2°	120.0°
C10	C09	C08	120.3°	120.2°
C09	C10	H1	120.2°	120.0°
C10	C09	H9	119.9°	119.9°
C11	C06	N05	123.6°	120.1°
C11	C06	C07	119.7°	119.9°
C03	C04	N05	124.3°	120.5°
C03	C04	N13	118.2°	118.8°
C04	C03	H5	120.2°	120.4°
N18	C17	N13	121.2°	120.3°
N18	C17	N16	130.7°	133.1°
C09	C08	C07	120.5°	120.1°
C09	C08	H8	119.7°	120.0°
C08	C09	H9	119.8°	119.9°
N05	C04	N13	117.5°	120.6°
C04	N05	C06	127.6°	120.0°
C04	N05	H6	116.2°	120.0°
C04	N13	C17	121.3°	120.0°
C04	N13	C14	130.5°	133.9°
N13	C17	N16	108.0°	106.6°
C17	N13	C14	108.2°	106.1°
C17	N16	N15	107.6°	109.7°
N05	C06	C07	116.7°	120.1°
C06	N05	H6	116.2°	120.0°
C06	C07	C08	119.6°	119.9°
C06	C07	H7	120.2°	120.1°
N13	C14	N15	108.1°	107.3°
N13	C14	H13	125.9°	126.3°
N16	N15	C14	108.0°	110.4°
C08	C07	H7	120.2°	120.1°
C07	C08	H8	119.8°	120.0°
N15	C14	H13	125.9°	126.3°
H2	C01	H3	109.4°	109.5°
H2	C01	H4	109.5°	109.5°
H3	C01	H4	109.5°	109.5°
H10	C12	H11	109.5°	109.4°
H10	C12	H12	109.4°	109.5°
H11	C12	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C10	C06	178.1°	180.0°
C12	C11	C10	C09	178.7°	179.9°
C12	C11	C06	N05	3.4°	0.0°
C12	C11	C06	C07	178.8°	180.0°
C12	C11	C10	H1	1.3°	0.3°
C11	C12	H10	H11	120.0°	119.9°
C11	C12	H10	H12	120.0°	120.0°
C11	C12	H11	H12	120.0°	120.1°
C01	C02	C03	N18	178.9°	180.0°
C01	C02	C03	C04	179.9°	179.8°
C01	C02	N18	C17	179.4°	180.0°
C02	C01	H2	H3	120.0°	120.0°
C02	C01	H2	H4	120.0°	120.0°
C02	C01	H3	H4	120.0°	120.0°
C01	C02	C03	H5	0.1°	0.0°
C02	C03	C04	H5	180.0°	179.7°
C03	C02	N18	C17	0.5°	0.0°
C02	C03	C04	N05	178.8°	180.0°
C02	C03	C04	N13	0.5°	0.5°
C03	C02	C01	H2	178.9°	90.0°
C03	C02	C01	H3	58.9°	150.0°
C03	C02	C01	H4	61.1°	30.0°
N18	C02	C03	C04	1.0°	0.2°
C02	N18	C17	N13	0.4°	0.0°
C02	N18	C17	N16	179.7°	179.7°
N18	C02	C01	H2	0.0°	90.0°
N18	C02	C01	H3	120.0°	30.0°
N18	C02	C01	H4	120.0°	150.0°
N18	C02	C03	H5	179.0°	180.0°
C11	C10	C09	H1	180.0°	179.6°
C11	C10	C09	C08	0.0°	0.1°
C10	C11	C06	N05	178.6°	179.9°
C10	C11	C06	C07	0.9°	0.1°
C11	C10	C09	H9	180.0°	180.0°
C10	C11	C12	H10	90.8°	90.0°
C10	C11	C12	H11	149.1°	150.1°
C10	C11	C12	H12	29.1°	30.0°
C09	C10	C11	C06	0.6°	0.1°
C10	C09	C08	H9	180.0°	179.9°
C10	C09	C08	C07	0.3°	0.1°
C10	C09	C08	H8	179.7°	180.0°
C11	C06	N05	C04	63.0°	173.8°
C11	C06	N05	C07	177.8°	180.0°
C11	C06	C07	C08	0.5°	0.0°
C06	C11	C10	H1	179.4°	179.7°
C11	C06	N05	H6	117.0°	6.2°
C11	C06	C07	H7	179.4°	179.9°
C06	C11	C12	H10	91.1°	90.0°
C06	C11	C12	H11	28.9°	29.9°
C06	C11	C12	H12	148.9°	150.0°
C03	C04	N05	N13	179.3°	179.5°
C03	C04	N13	C17	0.4°	0.5°
C03	C04	N05	C06	7.0°	120.9°
C03	C04	N13	C14	179.3°	179.6°
C03	C04	N05	H6	173.0°	59.1°
N18	C17	N13	C04	0.8°	0.2°
N18	C17	N13	N16	179.5°	179.8°
N18	C17	N13	C14	180.0°	179.8°
N18	C17	N16	N15	179.9°	179.7°
C09	C08	C07	C06	0.1°	0.1°
C09	C08	C07	H8	180.0°	179.9°
C08	C09	C10	H1	180.0°	179.7°
C09	C08	C07	H7	180.0°	179.9°
N05	C04	N13	C17	179.7°	180.0°
C04	N05	C06	H6	180.0°	180.0°
C04	N05	C06	C07	119.2°	6.2°
N05	C04	N13	C14	1.3°	0.1°
N05	C04	C03	H5	1.2°	0.3°
C04	N13	C17	C14	179.2°	180.0°
C04	N13	C17	N16	179.7°	180.0°
N13	C04	N05	C06	173.7°	59.6°
C04	N13	C14	N15	179.5°	180.0°
N13	C04	C03	H5	179.5°	179.8°
N13	C04	N05	H6	6.3°	120.4°
C04	N13	C14	H13	0.5°	0.0°
N13	C17	N16	N15	0.5°	0.0°
C17	N13	C14	N15	0.4°	0.0°
C17	N13	C14	H13	179.6°	180.0°
N16	C17	N13	C14	0.6°	0.0°
C17	N16	N15	C14	0.2°	0.0°
N05	C06	C07	C08	178.4°	179.9°
N05	C06	C07	H7	1.6°	0.1°
C06	C07	C08	H7	180.0°	180.0°
C07	C06	N05	H6	60.8°	173.8°
C06	C07	C08	H8	179.9°	180.0°
N13	C14	N15	N16	0.1°	0.0°
N13	C14	N15	H13	180.0°	180.0°
N16	N15	C14	H13	179.9°	179.9°
C07	C08	C09	H9	179.6°	180.0°
H1	C10	C09	H9	0.0°	0.4°
H2	C01	H3	H4	120.0°	120.1°
H7	C07	C08	H8	0.0°	0.0°
H8	C08	C09	H9	0.3°	0.1°
H10	C12	H11	H12	120.0°	120.0°

Release date:	2017-01-25
Definition date:	2016-01-26
Last modified:	2017-01-20
Release status:	REL
Processing site:	PDBJ
Derived from:	5HQ5