ZKZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.46Å	1.45Å
N1	C2	sing	1.35Å	1.31Å
C2	O1	doub	1.22Å	1.24Å
C2	N2	sing	1.35Å	1.36Å
N2	C3	sing	1.47Å	1.47Å
C3	C4	sing	1.53Å	1.52Å
C4	N3	sing	1.47Å	1.47Å
N3	C5	sing	1.47Å	1.46Å
C5	C6	sing	1.53Å	1.51Å
N3	C7	sing	1.35Å	1.35Å
C7	O2	doub	1.22Å	1.23Å
C7	C8	sing	1.47Å	1.47Å
C8	C9	doub	1.37Å	1.36Å	Aromatic
C9	C10	sing	1.40Å	1.41Å	Aromatic
C10	C11	doub	1.35Å	1.34Å	Aromatic
C11	C12	sing	1.51Å	1.48Å
C12	O3	sing	1.43Å	1.44Å
O3	C13	sing	1.36Å	1.38Å
C13	C14	doub	1.39Å	1.39Å	Aromatic
C14	C15	sing	1.38Å	1.39Å	Aromatic
C15	C16	doub	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C11	O4	sing	1.34Å	1.37Å	Aromatic
N2	C6	sing	1.47Å	1.47Å
C8	O4	sing	1.35Å	1.39Å	Aromatic
C13	C18	sing	1.39Å	1.39Å	Aromatic
N1	H4	sing	0.97Å	1.00Å
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C10	H14	sing	1.08Å	1.08Å
C15	H18	sing	1.08Å	1.08Å
C17	H20	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C14	H17	sing	1.08Å	1.08Å
C16	H19	sing	1.08Å	1.08Å
C18	H21	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C9	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	122.1°	120.0°
C1	N1	H4	119.0°	120.0°
N1	C1	H3	109.5°	109.5°
N1	C1	H2	109.5°	109.5°
N1	C1	H1	109.5°	109.5°
N1	C2	O1	119.9°	120.0°
N1	C2	N2	118.7°	120.0°
C2	N1	H4	119.0°	120.0°
O1	C2	N2	121.2°	120.0°
C2	N2	C3	120.9°	120.6°
C2	N2	C6	125.5°	120.4°
N2	C3	C4	112.5°	108.8°
C3	N2	C6	113.3°	119.0°
N2	C3	H6	108.7°	109.1°
N2	C3	H5	108.7°	110.0°
C3	C4	N3	111.5°	108.7°
C3	C4	H8	109.0°	109.6°
C3	C4	H7	109.0°	109.8°
C4	C3	H6	108.7°	109.7°
C4	C3	H5	108.7°	109.6°
C4	N3	C5	111.2°	118.8°
C4	N3	C7	127.4°	120.7°
N3	C4	H8	109.0°	109.6°
N3	C4	H7	109.0°	109.6°
N3	C5	C6	107.7°	108.6°
C5	N3	C7	121.4°	120.5°
N3	C5	H9	109.9°	109.6°
N3	C5	H10	109.9°	109.6°
C5	C6	N2	110.6°	108.6°
C6	C5	H9	109.9°	109.7°
C6	C5	H10	109.9°	109.6°
C5	C6	H12	109.2°	109.6°
C5	C6	H11	109.2°	109.7°
N3	C7	O2	118.1°	120.0°
N3	C7	C8	125.0°	120.0°
O2	C7	C8	116.3°	120.0°
C7	C8	C9	130.3°	126.0°
C7	C8	O4	121.2°	126.0°
C8	C9	C10	107.5°	106.7°
C9	C8	O4	108.4°	108.0°
C8	C9	H13	126.3°	126.6°
C9	C10	C11	107.0°	107.1°
C9	C10	H14	126.5°	126.4°
C10	C9	H13	126.3°	126.7°
C10	C11	C12	132.9°	125.6°
C10	C11	O4	110.1°	108.8°
C11	C10	H14	126.5°	126.4°
C11	C12	O3	109.7°	109.5°
C12	C11	O4	117.0°	125.6°
C11	C12	H16	109.4°	109.5°
C11	C12	H15	109.4°	109.4°
C12	O3	C13	118.4°	117.0°
O3	C12	H16	109.4°	109.5°
O3	C12	H15	109.4°	109.4°
O3	C13	C14	123.1°	120.1°
O3	C13	C18	117.1°	120.0°
C13	C14	C15	119.8°	120.0°
C14	C13	C18	119.8°	119.9°
C13	C14	H17	120.1°	120.0°
C14	C15	C16	120.5°	120.0°
C14	C15	H18	119.8°	120.0°
C15	C14	H17	120.1°	120.0°
C15	C16	C17	119.7°	120.2°
C16	C15	H18	119.7°	120.0°
C15	C16	H19	120.1°	119.9°
C16	C17	C18	120.6°	120.0°
C16	C17	H20	119.7°	120.0°
C17	C16	H19	120.2°	119.9°
C17	C18	C13	119.7°	119.9°
C18	C17	H20	119.7°	120.0°
C17	C18	H21	120.2°	120.0°
C11	O4	C8	106.9°	109.4°
N2	C6	H12	109.2°	109.6°
N2	C6	H11	109.2°	109.7°
C13	C18	H21	120.1°	120.1°
H8	C4	H7	109.4°	109.5°
H9	C5	H10	109.4°	109.7°
H12	C6	H11	109.5°	109.6°
H3	C1	H2	109.5°	109.4°
H3	C1	H1	109.4°	109.5°
H2	C1	H1	109.5°	109.5°
H16	C12	H15	109.4°	109.5°
H6	C3	H5	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	H4	180.0°	179.8°
C1	N1	C2	O1	3.1°	5.3°
C1	N1	C2	N2	171.3°	174.6°
N1	C1	H3	H2	120.0°	120.0°
N1	C1	H3	H1	120.0°	120.0°
N1	C1	H2	H1	120.0°	120.0°
N1	C2	O1	N2	174.3°	179.9°
N1	C2	N2	C3	168.6°	5.3°
N1	C2	N2	C6	4.6°	175.3°
C2	N1	C1	H3	180.0°	180.0°
C2	N1	C1	H2	60.0°	60.1°
C2	N1	C1	H1	60.0°	60.0°
O1	C2	N2	C3	5.7°	174.6°
O1	C2	N2	C6	178.9°	4.8°
O1	C2	N1	H4	176.9°	174.9°
C2	N2	C3	C6	174.0°	179.4°
C2	N2	C3	C4	138.3°	124.8°
C2	N2	C6	C5	131.5°	124.6°
N2	C2	N1	H4	8.7°	5.2°
C2	N2	C6	H12	11.3°	4.9°
C2	N2	C6	H11	108.3°	115.5°
C2	N2	C3	H6	17.8°	115.6°
C2	N2	C3	H5	101.3°	4.8°
N2	C3	C4	H6	120.5°	119.3°
N2	C3	C4	H5	120.4°	120.3°
N2	C3	C4	N3	47.9°	49.0°
C3	N2	C6	C5	54.9°	54.8°
N2	C3	C4	H8	72.5°	168.8°
N2	C3	C4	H7	168.2°	70.9°
C3	N2	C6	H12	175.0°	174.6°
C3	N2	C6	H11	65.3°	65.0°
N2	C3	H6	H5	118.6°	120.5°
C3	C4	N3	H8	120.3°	119.8°
C3	C4	N3	H7	120.3°	120.0°
C3	C4	N3	C5	56.6°	55.2°
C3	C4	N3	C7	122.8°	125.0°
C4	C3	N2	C6	47.8°	54.6°
C3	C4	H8	H7	119.1°	120.5°
C4	C3	H6	H5	118.6°	120.4°
C4	N3	C5	C7	179.4°	179.8°
C4	N3	C5	C6	62.7°	55.5°
C4	N3	C7	O2	168.4°	173.2°
C4	N3	C7	C8	20.5°	6.7°
N3	C4	H8	H7	119.1°	120.3°
C4	N3	C5	H9	57.1°	64.3°
C4	N3	C5	H10	177.6°	175.2°
N3	C4	C3	H6	168.3°	70.3°
N3	C4	C3	H5	72.6°	169.3°
N3	C5	C6	H9	119.7°	119.8°
N3	C5	C6	H10	119.7°	119.7°
C5	N3	C7	O2	12.3°	6.5°
C5	N3	C7	C8	158.7°	173.5°
N3	C5	C6	N2	61.2°	49.4°
C5	N3	C4	H8	63.7°	175.0°
C5	N3	C4	H7	176.9°	64.8°
N3	C5	H9	H10	120.8°	120.4°
N3	C5	C6	H12	178.6°	169.1°
N3	C5	C6	H11	58.9°	70.5°
C6	C5	N3	C7	116.7°	124.8°
C5	C6	N2	H12	120.2°	119.7°
C5	C6	N2	H11	120.2°	119.9°
C6	C5	H9	H10	120.8°	120.4°
C5	C6	H12	H11	119.5°	120.4°
N3	C7	O2	C8	171.8°	179.9°
N3	C7	C8	C9	172.7°	172.6°
N3	C7	C8	O4	10.7°	7.2°
C7	N3	C4	H8	116.9°	5.2°
C7	N3	C4	H7	2.4°	115.0°
C7	N3	C5	H9	123.6°	115.5°
C7	N3	C5	H10	3.1°	5.0°
O2	C7	C8	C9	16.1°	7.4°
O2	C7	C8	O4	160.5°	172.9°
C7	C8	C9	O4	176.9°	179.8°
C7	C8	C9	C10	177.2°	180.0°
C7	C8	O4	C11	177.0°	180.0°
C7	C8	C9	H13	2.8°	0.0°
C8	C9	C10	H13	180.0°	180.0°
C8	C9	C10	C11	0.7°	0.2°
C9	C8	O4	C11	0.3°	0.2°
C8	C9	C10	H14	179.3°	179.9°
C9	C10	C11	H14	180.0°	179.9°
C9	C10	C11	C12	178.7°	180.0°
C9	C10	C11	O4	0.9°	0.0°
C10	C9	C8	O4	0.3°	0.2°
C10	C11	C12	O4	179.6°	180.0°
C10	C11	C12	O3	0.5°	90.0°
C10	C11	O4	C8	0.8°	0.1°
C10	C11	C12	H16	120.5°	150.0°
C10	C11	C12	H15	119.5°	30.0°
C11	C10	C9	H13	179.3°	179.9°
C11	C12	O3	H16	120.1°	120.1°
C11	C12	O3	H15	120.1°	119.9°
C11	C12	O3	C13	176.2°	180.0°
C12	C11	O4	C8	178.9°	179.9°
C12	C11	C10	H14	1.3°	0.0°
C11	C12	H16	H15	119.9°	120.0°
C12	O3	C13	C14	11.3°	180.0°
O3	C12	C11	O4	179.9°	90.0°
C12	O3	C13	C18	171.1°	0.3°
O3	C12	H16	H15	119.9°	120.0°
O3	C13	C14	C18	177.6°	179.7°
O3	C13	C14	C15	177.5°	179.7°
O3	C13	C18	C17	177.7°	179.7°
C13	O3	C12	H16	63.8°	60.0°
C13	O3	C12	H15	56.1°	60.0°
O3	C13	C14	H17	2.5°	0.3°
O3	C13	C18	H21	2.3°	0.3°
C13	C14	C15	H17	180.0°	180.0°
C13	C14	C15	C16	0.2°	0.1°
C14	C13	C18	C17	0.0°	0.0°
C13	C14	C15	H18	179.7°	180.0°
C14	C13	C18	H21	180.0°	179.9°
C14	C15	C16	H18	180.0°	179.9°
C14	C15	C16	C17	0.3°	0.1°
C15	C14	C13	C18	0.0°	0.0°
C14	C15	C16	H19	179.6°	179.9°
C15	C16	C17	H19	180.0°	180.0°
C15	C16	C17	C18	0.2°	0.0°
C15	C16	C17	H20	179.8°	179.9°
C16	C15	C14	H17	179.8°	180.0°
C16	C17	C18	H20	180.0°	180.0°
C16	C17	C18	C13	0.1°	0.0°
C17	C16	C15	H18	179.6°	180.0°
C16	C17	C18	H21	179.9°	179.9°
C17	C18	C13	H21	180.0°	179.9°
C18	C17	C16	H19	179.7°	180.0°
O4	C11	C10	H14	179.1°	180.0°
O4	C11	C12	H16	59.8°	30.0°
O4	C11	C12	H15	60.1°	150.0°
N2	C6	C5	H9	58.5°	70.3°
N2	C6	C5	H10	179.0°	169.1°
N2	C6	H12	H11	119.5°	120.5°
C6	N2	C3	H6	168.2°	65.0°
C6	N2	C3	H5	72.7°	174.7°
O4	C8	C9	H13	179.7°	179.8°
C13	C18	C17	H20	180.0°	180.0°
C18	C13	C14	H17	180.0°	180.0°
H4	N1	C1	H3	0.0°	0.2°
H4	N1	C1	H2	120.0°	119.7°
H4	N1	C1	H1	120.0°	120.2°
H8	C4	C3	H6	48.0°	49.5°
H8	C4	C3	H5	167.1°	71.0°
H7	C4	C3	H6	71.4°	169.8°
H7	C4	C3	H5	47.7°	49.4°
H9	C5	C6	H12	61.6°	49.4°
H9	C5	C6	H11	178.7°	169.7°
H10	C5	C6	H12	58.9°	71.1°
H10	C5	C6	H11	60.8°	49.2°
H14	C10	C9	H13	0.7°	0.1°
H18	C15	C14	H17	0.3°	0.0°
H18	C15	C16	H19	0.4°	0.0°
H20	C17	C16	H19	0.3°	0.1°
H20	C17	C18	H21	0.1°	0.1°
H3	C1	H2	H1	120.0°	120.0°

Release date:	2023-03-29
Definition date:	2023-03-14
Last modified:	2023-03-24
Release status:	REL
Processing site:	RCSB
Derived from:	7FV6