JZ8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.41Å	Aromatic
C1	C10	sing	1.36Å	1.39Å	Aromatic
N1	C2	sing	1.40Å	1.36Å
N1	C11	sing	1.39Å	1.38Å
C2	C3	sing	1.38Å	1.40Å	Aromatic
N2	N3	sing	1.40Å	1.38Å	Aromatic
N2	C11	doub	1.33Å	1.34Å	Aromatic
N2	C15	sing	1.33Å	1.33Å	Aromatic
C3	C4	doub	1.40Å	1.39Å	Aromatic
N3	C16	sing	1.35Å	1.36Å	Aromatic
C4	C5	sing	1.41Å	1.40Å	Aromatic
C4	C9	sing	1.42Å	1.48Å	Aromatic
N4	C15	sing	1.35Å	1.35Å	Aromatic
N4	C16	doub	1.30Å	1.37Å	Aromatic
C5	C6	doub	1.36Å	1.40Å	Aromatic
N5	C13	sing	1.32Å	1.36Å	Aromatic
N5	C15	doub	1.34Å	1.34Å	Aromatic
C6	C7	sing	1.39Å	1.41Å	Aromatic
C7	C8	doub	1.36Å	1.39Å	Aromatic
C8	C9	sing	1.41Å	1.40Å	Aromatic
C9	C10	doub	1.41Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.41Å	Aromatic
C12	C13	doub	1.39Å	1.41Å	Aromatic
C13	C14	sing	1.51Å	1.51Å
C1	H1	sing	1.08Å	1.08Å
N1	HN1	sing	0.97Å	1.00Å
C3	H3	sing	1.08Å	1.08Å
N3	HN3	sing	0.97Å	1.00Å
N4	HN4	sing	0.97Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C14	H14B	sing	1.09Å	1.10Å
C16	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C10	120.9°	120.9°
C1	C2	N1	121.4°	119.7°
C1	C2	C3	120.2°	120.7°
C2	C1	H1	119.5°	119.6°
C1	C10	C9	120.4°	119.9°
C10	C1	H1	119.6°	119.5°
C1	C10	H10	119.8°	120.0°
C2	N1	C11	129.4°	120.0°
N1	C2	C3	118.3°	119.7°
C2	N1	HN1	115.3°	120.0°
N1	C11	N2	119.0°	120.5°
N1	C11	C12	123.9°	120.5°
C11	N1	HN1	115.3°	120.0°
C2	C3	C4	120.8°	119.5°
C2	C3	H3	119.6°	120.3°
N3	N2	C11	126.1°	132.4°
N3	N2	C15	111.8°	106.8°
N2	N3	C16	103.1°	106.6°
N2	N3	HN3	128.4°	126.7°
C11	N2	C15	122.1°	120.9°
N2	C11	C12	117.1°	119.1°
N2	C15	N4	107.6°	108.0°
N2	C15	N5	123.8°	120.8°
C3	C4	C5	122.1°	121.2°
C3	C4	C9	118.4°	119.4°
C4	C3	H3	119.6°	120.2°
N3	C16	N4	110.8°	108.7°
C16	N3	HN3	128.5°	126.7°
N3	C16	H16	124.6°	125.6°
C5	C4	C9	119.5°	119.4°
C4	C5	C6	119.8°	119.6°
C4	C5	H5	120.1°	120.2°
C4	C9	C8	118.8°	119.3°
C4	C9	C10	119.2°	119.5°
C15	N4	C16	106.8°	109.9°
N4	C15	N5	128.5°	131.2°
C15	N4	HN4	126.6°	125.0°
C16	N4	HN4	126.6°	125.0°
N4	C16	H16	124.6°	125.6°
C5	C6	C7	120.6°	121.0°
C6	C5	H5	120.1°	120.2°
C5	C6	H6	119.7°	119.5°
C13	N5	C15	117.4°	121.1°
N5	C13	C12	120.0°	119.6°
N5	C13	C14	120.3°	120.1°
C6	C7	C8	121.3°	121.0°
C7	C6	H6	119.7°	119.5°
C6	C7	H7	119.3°	119.5°
C7	C8	C9	120.0°	119.7°
C8	C7	H7	119.3°	119.4°
C7	C8	H8	120.0°	120.2°
C8	C9	C10	122.0°	121.2°
C9	C8	H8	120.0°	120.1°
C9	C10	H10	119.7°	120.1°
C11	C12	C13	119.6°	118.6°
C11	C12	H12	120.2°	120.7°
C12	C13	C14	119.7°	120.2°
C13	C12	H12	120.2°	120.7°
C13	C14	H14	109.5°	109.5°
C13	C14	H14A	109.5°	109.4°
C13	C14	H14B	109.5°	109.5°
H14	C14	H14A	109.5°	109.5°
H14	C14	H14B	109.4°	109.5°
H14A	C14	H14B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C10	H1	180.0°	179.7°
C1	C2	N1	C3	176.0°	180.0°
C1	C2	N1	C11	44.0°	138.0°
C1	C2	C3	C4	2.6°	0.0°
C2	C1	C10	C9	2.0°	0.0°
C1	C2	N1	HN1	135.9°	42.1°
C1	C2	C3	H3	177.3°	180.0°
C2	C1	C10	H10	178.0°	180.0°
C10	C1	C2	N1	178.4°	180.0°
C10	C1	C2	C3	2.4°	0.0°
C1	C10	C9	C4	1.6°	0.0°
C1	C10	C9	C8	178.8°	180.0°
C1	C10	C9	H10	180.0°	180.0°
C2	N1	C11	HN1	180.0°	180.0°
C2	N1	C11	N2	170.1°	172.2°
N1	C2	C3	C4	178.7°	180.0°
C2	N1	C11	C12	11.5°	7.9°
N1	C2	C1	H1	1.6°	0.3°
N1	C2	C3	H3	1.3°	0.0°
C11	N1	C2	C3	140.0°	42.0°
N1	C11	N2	N3	2.1°	0.0°
N1	C11	N2	C12	178.5°	179.9°
N1	C11	N2	C15	178.7°	179.7°
N1	C11	C12	C13	178.8°	180.0°
N1	C11	C12	H12	1.3°	0.1°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	178.7°	180.0°
C2	C3	C4	C9	2.3°	0.0°
C3	C2	C1	H1	177.6°	179.7°
C3	C2	N1	HN1	40.0°	137.9°
N3	N2	C11	C15	179.2°	179.7°
N2	N3	C16	HN3	180.0°	180.0°
N3	N2	C15	N4	0.9°	0.1°
N2	N3	C16	N4	0.4°	0.4°
N3	N2	C15	N5	178.0°	179.7°
N3	N2	C11	C12	179.4°	179.9°
N2	N3	C16	H16	179.5°	180.0°
C11	N2	N3	C16	179.0°	180.0°
C11	N2	C15	N4	178.4°	179.8°
C11	N2	C15	N5	1.3°	0.6°
N2	C11	C12	C13	0.3°	0.1°
N2	C11	N1	HN1	9.9°	7.8°
C11	N2	N3	HN3	1.0°	0.0°
N2	C11	C12	H12	179.7°	180.0°
C15	N2	N3	C16	0.3°	0.3°
N2	C15	N4	N5	176.9°	179.5°
N2	C15	N4	C16	1.2°	0.2°
N2	C15	N5	C13	2.5°	0.6°
C15	N2	C11	C12	0.1°	0.3°
C15	N2	N3	HN3	179.7°	179.7°
N2	C15	N4	HN4	178.8°	180.0°
C3	C4	C5	C9	179.0°	180.0°
C3	C4	C5	C6	179.1°	180.0°
C3	C4	C9	C8	178.7°	179.9°
C3	C4	C9	C10	1.8°	0.0°
C3	C4	C5	H5	1.0°	0.0°
N3	C16	N4	C15	1.0°	0.4°
N3	C16	N4	H16	180.0°	179.5°
N3	C16	N4	HN4	179.0°	179.8°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	0.1°	0.1°
C5	C4	C9	C8	0.4°	0.0°
C5	C4	C9	C10	179.2°	180.0°
C5	C4	C3	H3	1.3°	0.0°
C4	C5	C6	H6	179.9°	180.0°
C9	C4	C5	C6	0.1°	0.0°
C4	C9	C8	C7	0.8°	0.0°
C4	C9	C8	C10	179.5°	180.0°
C9	C4	C3	H3	177.7°	180.0°
C9	C4	C5	H5	179.9°	180.0°
C4	C9	C8	H8	179.2°	180.0°
C4	C9	C10	H10	178.4°	180.0°
C15	N4	C16	HN4	180.0°	179.8°
N4	C15	N5	C13	178.9°	179.9°
C15	N4	C16	H16	179.0°	180.0°
C16	N4	C15	N5	178.0°	179.3°
N4	C16	N3	HN3	179.6°	179.6°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.4°	0.1°
C5	C6	C7	H7	179.6°	179.9°
N5	C13	C12	C11	0.9°	0.1°
N5	C13	C12	C14	179.1°	179.8°
N5	C13	C12	H12	179.1°	180.0°
N5	C13	C14	H14	0.0°	90.0°
N5	C13	C14	H14A	120.0°	150.0°
N5	C13	C14	H14B	120.0°	30.0°
C15	N5	C13	C12	2.2°	0.2°
C15	N5	C13	C14	178.7°	180.0°
N5	C15	N4	HN4	2.0°	0.5°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	0.8°	0.0°
C7	C6	C5	H5	180.0°	179.9°
C6	C7	C8	H8	179.2°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	178.7°	180.0°
C8	C7	C6	H6	179.6°	180.0°
C9	C8	C7	H7	179.2°	180.0°
C8	C9	C10	H10	1.1°	0.0°
C9	C10	C1	H1	178.0°	179.7°
C10	C9	C8	H8	1.3°	0.0°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	180.0°	179.7°
C12	C11	N1	HN1	168.5°	172.2°
C12	C13	C14	H14	179.1°	89.7°
C12	C13	C14	H14A	59.1°	30.3°
C12	C13	C14	H14B	60.9°	150.2°
C14	C13	C12	H12	0.0°	0.2°
C13	C14	H14	H14A	120.0°	120.0°
C13	C14	H14	H14B	120.0°	120.1°
C13	C14	H14A	H14B	120.0°	120.0°
H1	C1	C10	H10	2.0°	0.3°
HN3	N3	C16	H16	0.4°	0.0°
HN4	N4	C16	H16	1.0°	0.2°
H5	C5	C6	H6	0.1°	0.0°
H6	C6	C7	H7	0.3°	0.0°
H7	C7	C8	H8	0.8°	0.0°
H14	C14	H14A	H14B	120.0°	120.0°

Definition date:	2009-07-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3I65