NQ7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N15	C14	sing	1.36Å	1.40Å
C14	N16	doub	1.31Å	1.36Å
C14	O13	sing	1.34Å	1.39Å
N16	C17	sing	1.33Å	1.44Å
O13	C12	sing	1.46Å	1.47Å
C01	C02	sing	1.53Å	1.55Å
C17	O18	doub	1.21Å	1.23Å
C17	C12	sing	1.52Å	1.51Å
C12	C02	sing	1.53Å	1.53Å
C02	C03	sing	1.51Å	1.50Å
C03	C04	doub	1.34Å	1.42Å	Aromatic
C03	C11	sing	1.46Å	1.46Å	Aromatic
C04	N05	sing	1.37Å	1.40Å	Aromatic
C11	C10	doub	1.40Å	1.44Å	Aromatic
C11	C06	sing	1.41Å	1.41Å	Aromatic
N05	C06	sing	1.38Å	1.39Å	Aromatic
C10	C09	sing	1.37Å	1.41Å	Aromatic
C06	C07	doub	1.39Å	1.44Å	Aromatic
C09	C08	doub	1.39Å	1.43Å	Aromatic
C07	C08	sing	1.38Å	1.40Å	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
C02	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.08Å	1.08Å
N05	H7	sing	0.97Å	1.00Å
C07	H8	sing	1.08Å	1.08Å
C08	H9	sing	1.08Å	1.08Å
C09	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.09Å	1.10Å
N15	H12	sing	0.97Å	1.00Å
N15	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N15	C14	N16	125.1°	123.6°
N15	C14	O13	122.8°	123.6°
C14	N15	H12	120.0°	120.1°
C14	N15	H13	120.0°	120.0°
N16	C14	O13	112.1°	112.8°
C14	N16	C17	107.2°	112.1°
C14	O13	C12	110.1°	106.4°
N16	C17	O18	125.4°	127.2°
N16	C17	C12	109.2°	105.5°
O13	C12	C17	101.2°	103.3°
O13	C12	C02	110.9°	110.7°
O13	C12	H11	111.3°	110.8°
C01	C02	C12	107.3°	109.5°
C01	C02	C03	113.5°	109.5°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.5°
C01	C02	H5	107.6°	109.5°
O18	C17	C12	125.4°	127.3°
C17	C12	C02	111.9°	110.6°
C17	C12	H11	110.7°	110.7°
C12	C02	C03	112.1°	109.4°
C12	C02	H5	107.9°	109.5°
C02	C12	H11	110.5°	110.6°
C02	C03	C04	126.4°	126.5°
C02	C03	C11	128.3°	126.5°
C03	C02	H5	108.2°	109.5°
C04	C03	C11	105.2°	107.0°
C03	C04	N05	108.1°	109.9°
C03	C04	H6	126.0°	125.1°
C03	C11	C10	131.2°	134.1°
C03	C11	C06	109.2°	106.0°
C04	N05	C06	110.9°	109.8°
N05	C04	H6	126.0°	125.0°
C04	N05	H7	124.5°	125.1°
C10	C11	C06	119.6°	119.9°
C11	C10	C09	118.7°	119.8°
C11	C10	H1	120.6°	120.1°
C11	C06	N05	106.5°	107.2°
C11	C06	C07	121.8°	119.3°
N05	C06	C07	131.7°	133.5°
C06	N05	H7	124.6°	125.1°
C10	C09	C08	121.1°	120.5°
C09	C10	H1	120.6°	120.1°
C10	C09	H10	119.4°	119.8°
C06	C07	C08	118.0°	119.8°
C06	C07	H8	121.0°	120.1°
C09	C08	C07	120.7°	120.7°
C09	C08	H9	119.6°	119.6°
C08	C09	H10	119.4°	119.8°
C08	C07	H8	121.0°	120.1°
C07	C08	H9	119.6°	119.6°
H2	C01	H3	109.4°	109.4°
H2	C01	H4	109.4°	109.5°
H3	C01	H4	109.5°	109.4°
H12	N15	H13	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N15	C14	N16	O13	178.5°	179.6°
N15	C14	N16	C17	178.8°	180.0°
N15	C14	O13	C12	175.4°	179.8°
C14	N15	H12	H13	180.0°	180.0°
N16	C14	O13	C12	3.1°	0.2°
C14	N16	C17	O18	178.2°	179.8°
C14	N16	C17	C12	3.5°	0.4°
N16	C14	N15	H12	0.0°	0.0°
N16	C14	N15	H13	180.0°	180.0°
O13	C14	N16	C17	0.3°	0.4°
C14	O13	C12	C17	4.8°	0.1°
C14	O13	C12	C02	123.7°	118.5°
C14	O13	C12	H11	112.9°	118.5°
O13	C14	N15	H12	178.3°	179.5°
O13	C14	N15	H13	1.7°	0.5°
N16	C17	C12	O13	5.0°	0.3°
N16	C17	O18	C12	178.1°	179.7°
N16	C17	C12	C02	123.1°	118.7°
N16	C17	C12	H11	113.2°	118.4°
O13	C12	C02	C01	57.2°	53.8°
O13	C12	C17	O18	176.7°	180.0°
O13	C12	C17	C02	118.2°	118.4°
O13	C12	C17	H11	118.1°	118.7°
O13	C12	C02	H11	123.9°	123.2°
O13	C12	C02	C03	68.0°	66.2°
O13	C12	C02	H5	172.9°	173.8°
C01	C02	C12	C17	54.9°	60.0°
C01	C02	C12	C03	125.2°	120.0°
C01	C02	C12	H5	115.7°	120.0°
C01	C02	C03	H5	119.4°	120.0°
C01	C02	C03	C04	113.0°	59.9°
C01	C02	C03	C11	67.2°	120.0°
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	C12	H11	178.8°	177.0°
O18	C17	C12	C02	58.5°	61.6°
O18	C17	C12	H11	65.2°	61.4°
C17	C12	C02	H11	123.9°	123.0°
C17	C12	C02	C03	179.9°	180.0°
C17	C12	C02	H5	60.8°	60.0°
C12	C02	C03	H5	118.9°	120.0°
C12	C02	C03	C04	8.7°	60.1°
C12	C02	C03	C11	171.1°	120.0°
C12	C02	C01	H2	180.0°	60.0°
C12	C02	C01	H3	60.0°	180.0°
C12	C02	C01	H4	60.0°	60.0°
C02	C03	C04	C11	179.8°	180.0°
C02	C03	C04	N05	179.8°	180.0°
C02	C03	C11	C10	0.2°	0.0°
C02	C03	C11	C06	179.9°	180.0°
C03	C02	C01	H2	55.6°	180.0°
C03	C02	C01	H3	64.4°	60.0°
C03	C02	C01	H4	175.6°	60.0°
C02	C03	C04	H6	0.2°	0.1°
C03	C02	C12	H11	56.0°	57.0°
C03	C04	N05	H6	180.0°	180.0°
C04	C03	C11	C10	179.6°	180.0°
C04	C03	C11	C06	0.1°	0.0°
C03	C04	N05	C06	0.1°	0.0°
C04	C03	C02	H5	127.6°	180.0°
C03	C04	N05	H7	179.9°	180.0°
C11	C03	C04	N05	0.0°	0.0°
C03	C11	C10	C06	179.7°	179.9°
C03	C11	C06	N05	0.2°	0.0°
C03	C11	C10	C09	180.0°	180.0°
C03	C11	C06	C07	179.9°	180.0°
C03	C11	C10	H1	0.0°	0.3°
C11	C03	C02	H5	52.2°	0.0°
C11	C03	C04	H6	180.0°	180.0°
C04	N05	C06	C11	0.2°	0.0°
C04	N05	C06	H7	180.0°	179.9°
C04	N05	C06	C07	179.9°	180.0°
C10	C11	C06	N05	179.6°	180.0°
C11	C10	C09	H1	180.0°	179.7°
C10	C11	C06	C07	0.3°	0.1°
C11	C10	C09	C08	0.4°	0.4°
C11	C10	C09	H10	179.7°	179.7°
C11	C06	N05	C07	179.9°	179.9°
C06	C11	C10	C09	0.3°	0.1°
C11	C06	C07	C08	0.4°	0.4°
C06	C11	C10	H1	179.7°	179.7°
C11	C06	N05	H7	179.8°	180.0°
C11	C06	C07	H8	179.6°	180.0°
N05	C06	C07	C08	179.5°	179.7°
C06	N05	C04	H6	179.9°	180.0°
N05	C06	C07	H8	0.5°	0.1°
C10	C09	C08	H10	180.0°	180.0°
C10	C09	C08	C07	0.4°	0.7°
C10	C09	C08	H9	179.6°	180.0°
C06	C07	C08	C09	0.4°	0.7°
C06	C07	C08	H8	180.0°	179.6°
C07	C06	N05	H7	0.1°	0.1°
C06	C07	C08	H9	179.6°	180.0°
C09	C08	C07	H9	180.0°	179.3°
C08	C09	C10	H1	179.7°	180.0°
C09	C08	C07	H8	179.5°	179.7°
C07	C08	C09	H10	179.6°	179.4°
H1	C10	C09	H10	0.3°	0.0°
H2	C01	H3	H4	119.9°	120.0°
H2	C01	C02	H5	64.1°	60.0°
H3	C01	C02	H5	175.9°	60.0°
H4	C01	C02	H5	55.9°	180.0°
H5	C02	C12	H11	63.1°	63.0°
H6	C04	N05	H7	0.1°	0.1°
H8	C07	C08	H9	0.5°	0.4°
H9	C08	C09	H10	0.4°	0.1°

Release date:	2019-08-07
Definition date:	2019-05-23
Last modified:	2019-08-02
Release status:	REL
Processing site:	RCSB
Derived from:	6P29