XZ8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N11	C12	sing	1.35Å	1.34Å
N11	N10	sing	1.40Å	1.35Å
O13	C12	doub	1.22Å	1.22Å
C12	C07	sing	1.47Å	1.40Å
C01	C02	sing	1.51Å	1.52Å
N10	C08	sing	1.36Å	1.34Å
C05	C06	doub	1.35Å	1.40Å	Aromatic
C05	N04	sing	1.38Å	1.35Å	Aromatic
C07	C08	doub	1.36Å	1.40Å
C07	C06	sing	1.48Å	1.40Å
C08	C09	sing	1.51Å	1.52Å
C02	N04	sing	1.35Å	1.43Å
C02	O03	doub	1.21Å	1.22Å
C06	C14	sing	1.47Å	1.43Å	Aromatic
N04	C19	sing	1.38Å	1.39Å	Aromatic
C14	C19	doub	1.40Å	1.38Å	Aromatic
C14	C15	sing	1.39Å	1.42Å	Aromatic
C19	C18	sing	1.39Å	1.42Å	Aromatic
C15	C16	doub	1.38Å	1.39Å	Aromatic
C18	C17	doub	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.39Å	1.40Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C05	H4	sing	1.08Å	1.08Å
C09	H6	sing	1.09Å	1.10Å
C09	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
N11	H9	sing	0.97Å	1.00Å
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
N10	H5	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	N11	N10	108.9°	108.2°
N11	C12	O13	124.9°	126.6°
N11	C12	C07	108.3°	106.8°
C12	N11	H9	125.6°	125.9°
N11	N10	C08	109.5°	109.4°
N10	N11	H9	125.6°	125.9°
N11	N10	H5	109.5°	125.3°
O13	C12	C07	126.9°	126.6°
C12	C07	C08	105.5°	107.0°
C12	C07	C06	126.9°	126.5°
C01	C02	N04	121.0°	120.0°
C01	C02	O03	118.4°	120.0°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.4°
C02	C01	H3	109.5°	109.4°
N10	C08	C07	107.8°	108.6°
N10	C08	C09	124.2°	125.7°
C08	N10	H5	109.5°	125.3°
C06	C05	N04	109.8°	109.6°
C05	C06	C07	125.9°	126.5°
C05	C06	C14	105.8°	106.9°
C06	C05	H4	125.1°	125.2°
C05	N04	C02	125.1°	125.1°
C05	N04	C19	108.5°	109.8°
N04	C05	H4	125.1°	125.2°
C08	C07	C06	127.6°	126.5°
C07	C08	C09	128.0°	125.7°
C07	C06	C14	128.3°	126.6°
C08	C09	H6	109.5°	109.5°
C08	C09	H7	109.5°	109.5°
C08	C09	H8	109.5°	109.5°
N04	C02	O03	120.6°	120.0°
C02	N04	C19	126.3°	125.1°
C06	C14	C19	107.2°	106.2°
C06	C14	C15	132.9°	133.8°
N04	C19	C14	108.7°	107.4°
N04	C19	C18	131.8°	133.2°
C19	C14	C15	119.8°	120.0°
C14	C19	C18	119.5°	119.4°
C14	C15	C16	120.2°	119.7°
C14	C15	H10	119.9°	120.1°
C19	C18	C17	120.5°	119.9°
C19	C18	H13	119.7°	120.0°
C15	C16	C17	119.9°	120.3°
C16	C15	H10	119.9°	120.2°
C15	C16	H11	120.1°	119.8°
C18	C17	C16	120.0°	120.6°
C18	C17	H12	120.0°	119.7°
C17	C18	H13	119.7°	120.0°
C17	C16	H11	120.1°	119.8°
C16	C17	H12	120.0°	119.7°
H1	C01	H2	109.4°	109.5°
H1	C01	H3	109.5°	109.6°
H2	C01	H3	109.4°	109.4°
H6	C09	H7	109.4°	109.5°
H6	C09	H8	109.5°	109.4°
H7	C09	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	N11	N10	H9	180.0°	179.6°
N11	C12	O13	C07	179.7°	179.5°
C12	N11	N10	C08	0.2°	0.3°
N11	C12	C07	C08	0.4°	0.4°
N11	C12	C07	C06	179.1°	179.8°
C12	N11	N10	H5	120.2°	179.7°
N10	N11	C12	O13	179.9°	180.0°
N10	N11	C12	C07	0.4°	0.4°
N11	N10	C08	H5	120.0°	180.0°
N11	N10	C08	C07	0.1°	0.0°
N11	N10	C08	C09	179.9°	180.0°
O13	C12	C07	C08	179.9°	180.0°
O13	C12	C07	C06	1.2°	0.3°
O13	C12	N11	H9	0.1°	0.5°
C12	C07	C08	N10	0.3°	0.3°
C12	C07	C06	C05	47.8°	105.3°
C12	C07	C08	C06	178.7°	179.8°
C12	C07	C08	C09	179.7°	179.8°
C12	C07	C06	C14	132.6°	74.7°
C07	C12	N11	H9	179.6°	180.0°
C01	C02	N04	C05	5.0°	0.2°
C01	C02	N04	O03	177.5°	180.0°
C01	C02	N04	C19	178.2°	180.0°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	119.9°
N10	C08	C07	C09	180.0°	180.0°
N10	C08	C07	C06	179.0°	180.0°
N10	C08	C09	H6	180.0°	90.1°
N10	C08	C09	H7	60.0°	30.0°
N10	C08	C09	H8	60.0°	150.0°
C08	N10	N11	H9	179.8°	179.8°
C06	C05	N04	H4	180.0°	179.9°
C05	C06	C07	C08	130.6°	75.0°
C05	C06	C07	C14	179.6°	180.0°
C06	C05	N04	C02	178.0°	180.0°
C06	C05	N04	C19	0.7°	0.2°
C05	C06	C14	C19	0.1°	0.3°
C05	C06	C14	C15	179.9°	179.9°
N04	C05	C06	C07	179.9°	180.0°
C05	N04	C02	C19	176.8°	179.8°
C05	N04	C02	O03	172.5°	179.8°
N04	C05	C06	C14	0.4°	0.0°
C05	N04	C19	C14	0.7°	0.4°
C05	N04	C19	C18	179.7°	179.4°
C08	C07	C06	C14	49.0°	105.0°
C07	C08	C09	H6	0.1°	90.0°
C07	C08	C09	H7	120.0°	150.0°
C07	C08	C09	H8	120.0°	30.0°
C07	C08	N10	H5	119.9°	180.0°
C06	C07	C08	C09	1.0°	0.0°
C07	C06	C14	C19	179.6°	179.7°
C07	C06	C14	C15	0.5°	0.1°
C07	C06	C05	H4	0.1°	0.0°
C08	C09	H6	H7	120.0°	120.1°
C08	C09	H6	H8	120.0°	120.0°
C08	C09	H7	H8	120.0°	120.0°
C09	C08	N10	H5	60.1°	0.0°
C02	N04	C19	C14	178.0°	179.8°
C02	N04	C19	C18	2.4°	0.8°
N04	C02	C01	H1	177.5°	0.0°
N04	C02	C01	H2	57.5°	120.0°
N04	C02	C01	H3	62.4°	120.0°
C02	N04	C05	H4	2.0°	0.1°
O03	C02	N04	C19	4.4°	0.0°
O03	C02	C01	H1	0.0°	180.0°
O03	C02	C01	H2	120.0°	60.0°
O03	C02	C01	H3	120.0°	59.9°
C06	C14	C19	N04	0.5°	0.4°
C06	C14	C19	C15	179.9°	179.9°
C06	C14	C19	C18	179.9°	179.6°
C06	C14	C15	C16	179.9°	180.0°
C14	C06	C05	H4	179.6°	180.0°
C06	C14	C15	H10	0.1°	0.1°
N04	C19	C14	C18	179.6°	179.2°
N04	C19	C14	C15	179.4°	179.7°
N04	C19	C18	C17	179.1°	179.5°
C19	N04	C05	H4	179.3°	179.7°
N04	C19	C18	H13	0.9°	0.8°
C19	C14	C15	C16	0.2°	0.2°
C14	C19	C18	C17	0.4°	0.6°
C19	C14	C15	H10	179.8°	179.7°
C14	C19	C18	H13	179.6°	179.7°
C15	C14	C19	C18	0.2°	0.5°
C14	C15	C16	H10	180.0°	179.9°
C14	C15	C16	C17	0.5°	0.1°
C14	C15	C16	H11	179.5°	180.0°
C19	C18	C17	H13	180.0°	179.8°
C19	C18	C17	C16	0.7°	0.2°
C19	C18	C17	H12	179.3°	179.7°
C15	C16	C17	C18	0.8°	0.1°
C15	C16	C17	H11	180.0°	179.9°
C15	C16	C17	H12	179.3°	180.0°
C18	C17	C16	H12	180.0°	179.9°
C18	C17	C16	H11	179.3°	180.0°
C17	C16	C15	H10	179.5°	180.0°
C16	C17	C18	H13	179.3°	180.0°
H1	C01	H2	H3	120.0°	120.1°
H6	C09	H7	H8	120.0°	119.9°
H9	N11	N10	H5	59.8°	0.1°
H10	C15	C16	H11	0.5°	0.1°
H11	C16	C17	H12	0.7°	0.0°
H12	C17	C18	H13	0.7°	0.1°

Release date:	2015-07-01
Definition date:	2014-06-19
Last modified:	2015-06-26
Release status:	REL
Processing site:	RCSB
Derived from:	4TS8