NEZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C5	sing	1.51Å	1.49Å
C14	C15	sing	1.53Å	1.51Å
C14	H141	sing	1.09Å	1.11Å
C14	H142	sing	1.09Å	1.11Å
C5	C4	sing	1.39Å	1.44Å	Aromatic
C5	C6	doub	1.39Å	1.42Å	Aromatic
C4	N10	sing	1.36Å	1.41Å	Aromatic
C4	C3	doub	1.42Å	1.42Å	Aromatic
N10	C9	doub	1.31Å	1.29Å	Aromatic
C9	N23	sing	1.37Å	1.33Å
C9	N8	sing	1.37Å	1.36Å	Aromatic
N23	H231	sing	0.97Å	1.02Å
N23	H232	sing	0.97Å	1.02Å
N8	C7	sing	1.35Å	1.34Å	Aromatic
N8	HN8	sing	0.97Å	1.02Å
C7	O22	doub	1.22Å	1.23Å
C7	C3	sing	1.47Å	1.54Å	Aromatic
C3	C2	sing	1.39Å	1.44Å	Aromatic
C2	C1	doub	1.38Å	1.42Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C1	N11	sing	1.39Å	1.36Å	Aromatic
C1	C6	sing	1.41Å	1.41Å	Aromatic
N11	C12	sing	1.36Å	1.30Å	Aromatic
N11	H11	sing	0.97Å	1.02Å
C12	N13	doub	1.30Å	1.27Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
N13	C6	sing	1.36Å	1.34Å	Aromatic
C15	C16	sing	1.51Å	1.54Å
C15	H151	sing	1.09Å	1.12Å
C15	H152	sing	1.09Å	1.12Å
C16	C17	doub	1.38Å	1.44Å	Aromatic
C16	C21	sing	1.38Å	1.42Å	Aromatic
C17	C18	sing	1.38Å	1.42Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C18	C19	doub	1.38Å	1.41Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C19	C24	sing	1.51Å	1.50Å
C19	C20	sing	1.38Å	1.42Å	Aromatic
C24	H241	sing	1.09Å	1.12Å
C24	H242	sing	1.09Å	1.11Å
C24	H243	sing	1.09Å	1.11Å
C20	C21	doub	1.38Å	1.41Å	Aromatic
C20	H20	sing	1.08Å	1.10Å
C21	H21	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C14	C15	112.0°	109.5°
C5	C14	H141	111.3°	109.5°
C5	C14	H142	111.3°	109.5°
C14	C5	C4	122.4°	120.2°
C14	C5	C6	121.0°	120.2°
C15	C14	H141	111.3°	109.5°
C15	C14	H142	111.3°	109.4°
C14	C15	C16	105.9°	109.5°
C14	C15	H151	113.5°	109.5°
C14	C15	H152	113.5°	109.5°
H141	C14	H142	99.1°	109.5°
C4	C5	C6	116.5°	119.6°
C5	C4	N10	120.1°	121.2°
C5	C4	C3	121.0°	119.8°
C5	C6	C1	122.1°	120.2°
C5	C6	N13	133.5°	133.0°
N10	C4	C3	118.7°	119.0°
C4	N10	C9	121.3°	121.6°
C4	C3	C7	115.4°	118.0°
C4	C3	C2	121.4°	120.4°
N10	C9	N23	118.2°	118.5°
N10	C9	N8	126.1°	123.1°
N23	C9	N8	115.7°	118.4°
C9	N23	H231	109.1°	120.0°
C9	N23	H232	118.2°	120.0°
C9	N8	C7	118.0°	120.6°
C9	N8	HN8	121.7°	119.7°
H231	N23	H232	109.0°	120.0°
C7	N8	HN8	120.2°	119.7°
N8	C7	O22	125.3°	121.2°
N8	C7	C3	120.3°	117.7°
O22	C7	C3	114.4°	121.2°
C7	C3	C2	123.2°	121.5°
C3	C2	C1	117.0°	119.5°
C3	C2	H2	122.2°	120.3°
C1	C2	H2	120.8°	120.2°
C2	C1	N11	131.2°	133.6°
C2	C1	C6	121.8°	120.5°
N11	C1	C6	106.9°	105.9°
C1	N11	C12	106.3°	107.3°
C1	N11	H11	128.7°	126.4°
C1	C6	N13	104.3°	106.8°
C12	N11	H11	124.9°	126.4°
N11	C12	N13	112.6°	110.3°
N11	C12	H12	124.5°	124.9°
N13	C12	H12	122.9°	124.9°
C12	N13	C6	109.8°	109.8°
C16	C15	H151	113.5°	109.5°
C16	C15	H152	113.5°	109.4°
C15	C16	C17	121.7°	120.0°
C15	C16	C21	113.2°	120.0°
H151	C15	H152	97.0°	109.5°
C17	C16	C21	125.1°	120.0°
C16	C17	C18	115.1°	120.0°
C16	C17	H17	123.1°	120.0°
C16	C21	C20	118.3°	120.0°
C16	C21	H21	121.1°	120.0°
C18	C17	H17	121.8°	120.0°
C17	C18	C19	119.8°	120.0°
C17	C18	H18	120.7°	120.0°
C19	C18	H18	119.5°	120.0°
C18	C19	C24	122.0°	120.0°
C18	C19	C20	124.5°	120.0°
C24	C19	C20	113.5°	120.0°
C19	C24	H241	107.7°	109.5°
C19	C24	H242	122.0°	109.5°
C19	C24	H243	107.7°	109.5°
C19	C20	C21	117.3°	120.0°
C19	C20	H20	121.8°	120.0°
H241	C24	H242	107.7°	109.5°
H241	C24	H243	102.1°	109.5°
H242	C24	H243	107.8°	109.4°
C21	C20	H20	121.0°	120.0°
C20	C21	H21	120.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C14	C15	H141	125.3°	120.0°
C5	C14	C15	H142	125.3°	120.0°
C5	C14	H141	H142	117.1°	120.0°
C14	C5	C4	C6	178.7°	179.8°
C14	C5	C4	N10	3.9°	0.5°
C14	C5	C4	C3	179.8°	179.8°
C14	C5	C6	C1	178.2°	180.0°
C14	C5	C6	N13	2.9°	0.1°
C5	C14	C15	C16	170.2°	180.0°
C5	C14	C15	H151	44.9°	60.0°
C5	C14	C15	H152	64.6°	60.1°
C15	C14	H141	H142	117.2°	120.0°
C15	C14	C5	C4	105.2°	90.2°
C15	C14	C5	C6	76.1°	90.0°
C14	C15	C16	H151	125.2°	120.0°
C14	C15	C16	H152	125.2°	120.0°
C14	C15	H151	H152	119.4°	120.0°
C14	C15	C16	C17	24.5°	90.0°
C14	C15	C16	C21	155.4°	90.0°
H141	C14	C5	C4	20.1°	149.8°
H141	C14	C5	C6	158.6°	30.0°
H141	C14	C15	C16	64.6°	60.0°
H141	C14	C15	H151	170.2°	180.0°
H141	C14	C15	H152	60.7°	60.0°
H142	C14	C5	C4	129.5°	29.8°
H142	C14	C5	C6	49.2°	150.0°
H142	C14	C15	C16	44.9°	60.0°
H142	C14	C15	H151	80.3°	60.0°
H142	C14	C15	H152	170.2°	179.9°
C5	C4	N10	C3	176.0°	179.2°
C5	C4	N10	C9	179.2°	179.8°
C5	C4	C3	C7	178.5°	179.8°
C5	C4	C3	C2	2.4°	0.5°
C4	C5	C6	C1	0.6°	0.1°
C4	C5	C6	N13	178.4°	179.7°
C6	C5	C4	N10	177.4°	179.6°
C6	C5	C4	C3	1.4°	0.4°
C5	C6	C1	C2	1.7°	0.1°
C5	C6	C1	N11	179.3°	180.0°
C5	C6	C1	N13	179.2°	179.9°
C5	C6	N13	C12	179.8°	179.9°
C4	N10	C9	N23	178.1°	179.7°
C4	N10	C9	N8	3.8°	0.3°
N10	C4	C3	C7	2.4°	0.5°
N10	C4	C3	C2	178.4°	179.7°
C3	C4	N10	C9	3.1°	0.6°
C4	C3	C7	N8	2.5°	0.2°
C4	C3	C7	O22	177.4°	179.8°
C4	C3	C7	C2	179.1°	179.8°
C4	C3	C2	C1	1.3°	0.2°
C4	C3	C2	H2	178.7°	179.8°
N10	C9	N23	N8	178.3°	180.0°
N10	C9	N23	H231	54.8°	0.1°
N10	C9	N23	H232	180.0°	180.0°
N10	C9	N8	C7	3.7°	0.0°
N10	C9	N8	HN8	176.3°	180.0°
C9	N23	H231	H232	130.4°	180.0°
N23	C9	N8	C7	178.2°	180.0°
N23	C9	N8	HN8	1.8°	0.0°
N8	C9	N23	H231	127.0°	180.0°
N8	C9	N23	H232	1.7°	0.0°
C9	N8	C7	HN8	180.0°	180.0°
C9	N8	C7	O22	177.0°	180.0°
C9	N8	C7	C3	2.9°	0.0°
N8	C7	O22	C3	179.9°	180.0°
N8	C7	C3	C2	178.4°	180.0°
HN8	N8	C7	O22	3.1°	0.0°
HN8	N8	C7	C3	177.1°	180.0°
O22	C7	C3	C2	1.7°	0.0°
C7	C3	C2	C1	179.7°	180.0°
C7	C3	C2	H2	0.3°	0.1°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	N11	177.7°	180.0°
C3	C2	C1	C6	0.8°	0.0°
C2	C1	N11	C6	177.3°	180.0°
C2	C1	N11	C12	178.2°	180.0°
C2	C1	N11	H11	1.8°	0.0°
C2	C1	C6	N13	177.5°	180.0°
H2	C2	C1	N11	2.3°	0.0°
H2	C2	C1	C6	179.2°	179.9°
C1	N11	C12	H11	180.0°	180.0°
C1	N11	C12	N13	1.7°	0.0°
C1	N11	C12	H12	178.3°	180.0°
N11	C1	C6	N13	0.1°	0.1°
C6	C1	N11	C12	0.9°	0.0°
C6	C1	N11	H11	179.1°	180.0°
C1	C6	N13	C12	1.1°	0.1°
N11	C12	N13	H12	180.0°	180.0°
N11	C12	N13	C6	1.8°	0.0°
H11	N11	C12	N13	178.3°	180.0°
H11	N11	C12	H12	1.7°	0.1°
H12	C12	N13	C6	178.2°	179.9°
C16	C15	H151	H152	119.5°	120.0°
C15	C16	C17	C21	179.9°	179.9°
C15	C16	C17	C18	179.7°	180.0°
C15	C16	C17	H17	0.3°	0.0°
C15	C16	C21	C20	180.0°	179.8°
C15	C16	C21	H21	0.0°	0.0°
H151	C15	C16	C17	149.8°	150.0°
H151	C15	C16	C21	30.2°	30.1°
H152	C15	C16	C17	100.7°	30.0°
H152	C15	C16	C21	79.4°	150.0°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	C19	0.5°	0.1°
C16	C17	C18	H18	179.6°	179.9°
C17	C16	C21	C20	0.1°	0.1°
C17	C16	C21	H21	179.9°	179.9°
C21	C16	C17	C18	0.4°	0.0°
C21	C16	C17	H17	179.6°	180.0°
C16	C21	C20	C19	0.1°	0.5°
C16	C21	C20	H21	180.0°	179.8°
C16	C21	C20	H20	179.9°	180.0°
C17	C18	C19	H18	180.0°	179.8°
C17	C18	C19	C24	179.2°	180.0°
C17	C18	C19	C20	0.2°	0.4°
H17	C17	C18	C19	179.5°	179.9°
H17	C17	C18	H18	0.5°	0.1°
C18	C19	C24	C20	179.5°	179.6°
C18	C19	C24	H241	54.7°	90.1°
C18	C19	C24	H242	180.0°	149.9°
C18	C19	C24	H243	54.7°	29.9°
C18	C19	C20	C21	0.1°	0.6°
C18	C19	C20	H20	179.9°	179.8°
H18	C18	C19	C24	0.7°	0.2°
H18	C18	C19	C20	179.8°	179.7°
C19	C24	H241	H242	133.4°	120.0°
C19	C24	H241	H243	113.3°	120.0°
C19	C24	H242	H243	125.3°	120.0°
C24	C19	C20	C21	179.6°	179.8°
C24	C19	C20	H20	0.4°	0.3°
C20	C19	C24	H241	125.7°	90.4°
C20	C19	C24	H242	0.5°	29.7°
C20	C19	C24	H243	124.8°	149.6°
C19	C20	C21	H20	180.0°	179.5°
C19	C20	C21	H21	179.9°	179.7°
H241	C24	H242	H243	109.5°	119.9°
H20	C20	C21	H21	0.1°	0.2°

Definition date:	2004-12-07
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1Y5W