ZR4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C10	sing	1.43Å	1.43Å
C3	N1	doub	1.31Å	1.33Å	Aromatic
C3	N2	sing	1.32Å	1.34Å	Aromatic
O3	C9	sing	1.43Å	1.42Å
N1	C2	sing	1.33Å	1.34Å	Aromatic
N2	C4	doub	1.33Å	1.35Å	Aromatic
C10	C7	sing	1.55Å	1.53Å
C10	C9	sing	1.55Å	1.54Å
C2	N3	sing	1.37Å	1.38Å	Aromatic
C2	C1	doub	1.41Å	1.40Å	Aromatic
C4	C1	sing	1.40Å	1.41Å	Aromatic
C4	N4	sing	1.38Å	1.34Å
C7	N3	sing	1.47Å	1.46Å
C7	O1	sing	1.44Å	1.41Å
C9	C8	sing	1.54Å	1.54Å
N3	C6	sing	1.37Å	1.39Å	Aromatic
C1	C5	sing	1.46Å	1.43Å	Aromatic
C6	C5	doub	1.34Å	1.35Å	Aromatic
C8	O1	sing	1.44Å	1.44Å
C8	C11	sing	1.53Å	1.53Å
F1	C14	sing	1.35Å	1.35Å
C11	C12	sing	1.51Å	1.52Å
C11	O2	sing	1.43Å	1.43Å
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.39Å	1.38Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C12	C17	doub	1.38Å	1.38Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
C15	CL1	sing	1.74Å	1.74Å
C17	H13	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C3	H1	sing	1.08Å	1.08Å
C9	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
N4	H5	sing	0.97Å	1.00Å
N4	H4	sing	0.97Å	1.00Å
O3	H15	sing	0.97Å	0.95Å
O4	H16	sing	0.97Å	0.95Å
O2	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C10	C7	114.2°	110.9°
O4	C10	C9	113.0°	110.9°
O4	C10	H9	110.2°	110.9°
C10	O4	H16	109.5°	114.0°
N1	C3	N2	128.5°	122.7°
C3	N1	C2	112.5°	120.7°
N1	C3	H1	115.7°	118.7°
C3	N2	C4	118.2°	121.0°
N2	C3	H1	115.7°	118.6°
O3	C9	C10	111.6°	110.6°
O3	C9	C8	113.9°	110.5°
O3	C9	H8	109.9°	110.4°
C9	O3	H15	109.5°	114.0°
N1	C2	N3	126.6°	134.3°
N1	C2	C1	125.5°	118.6°
N2	C4	C1	119.2°	118.4°
N2	C4	N4	118.5°	120.9°
C7	C10	C9	101.5°	102.1°
C10	C7	N3	114.6°	110.6°
C10	C7	O1	104.7°	103.5°
C7	C10	H9	108.9°	110.9°
C10	C7	H6	109.3°	110.6°
C10	C9	C8	104.5°	104.2°
C10	C9	H8	108.3°	110.5°
C9	C10	H9	108.7°	110.9°
N3	C2	C1	107.9°	107.1°
C2	N3	C7	127.8°	125.0°
C2	N3	C6	107.8°	110.0°
C2	C1	C4	116.1°	118.6°
C2	C1	C5	107.1°	106.2°
C1	C4	N4	122.3°	120.8°
C4	C1	C5	136.8°	135.2°
C4	N4	H5	109.5°	120.0°
C4	N4	H4	109.4°	120.0°
N3	C7	O1	107.1°	110.6°
C7	N3	C6	124.2°	124.9°
N3	C7	H6	110.1°	110.5°
C7	O1	C8	108.9°	106.9°
O1	C7	H6	110.9°	110.8°
C9	C8	O1	106.3°	107.3°
C9	C8	C11	116.3°	109.8°
C8	C9	H8	108.4°	110.5°
C9	C8	H7	107.3°	109.9°
N3	C6	C5	110.3°	109.8°
N3	C6	H3	124.9°	125.1°
C1	C5	C6	106.9°	106.8°
C1	C5	H2	126.6°	126.6°
C6	C5	H2	126.6°	126.6°
C5	C6	H3	124.8°	125.1°
O1	C8	C11	110.7°	109.8°
O1	C8	H7	108.6°	109.9°
C8	C11	C12	111.5°	109.5°
C8	C11	O2	111.8°	109.5°
C11	C8	H7	107.4°	109.9°
C8	C11	H10	106.7°	109.5°
F1	C14	C13	119.4°	120.0°
F1	C14	C15	119.0°	120.1°
C12	C11	O2	111.6°	109.5°
C11	C12	C13	120.5°	120.0°
C11	C12	C17	120.5°	119.9°
C12	C11	H10	106.9°	109.4°
O2	C11	H10	108.0°	109.5°
C11	O2	H14	109.5°	114.0°
C13	C14	C15	121.6°	120.0°
C14	C13	C12	119.4°	120.0°
C14	C13	H11	120.3°	120.0°
C14	C15	C16	119.2°	120.0°
C14	C15	CL1	120.3°	120.0°
C13	C12	C17	118.8°	120.1°
C12	C13	H11	120.3°	120.0°
C12	C17	C16	121.2°	120.0°
C12	C17	H13	119.4°	120.0°
C15	C16	C17	119.8°	120.0°
C16	C15	CL1	120.3°	120.0°
C15	C16	H12	120.1°	120.0°
C16	C17	H13	119.4°	120.0°
C17	C16	H12	120.1°	120.0°
H5	N4	H4	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C10	C9	O3	24.9°	20.3°
O4	C10	C7	C9	121.9°	118.2°
O4	C10	C7	H9	123.6°	123.6°
O4	C10	C9	H9	122.6°	123.6°
O4	C10	C7	N3	83.8°	86.3°
O4	C10	C7	O1	159.1°	155.2°
O4	C10	C9	C8	148.4°	139.0°
O4	C10	C9	H8	96.3°	102.2°
O4	C10	C7	H6	40.3°	36.5°
N1	C3	N2	H1	180.0°	179.7°
N1	C3	N2	C4	0.4°	0.5°
C3	N1	C2	N3	179.5°	180.0°
C3	N1	C2	C1	0.7°	0.0°
N2	C3	N1	C2	0.1°	0.3°
C3	N2	C4	C1	1.5°	0.3°
C3	N2	C4	N4	176.5°	179.7°
O3	C9	C10	C7	97.9°	97.9°
O3	C9	C10	C8	123.5°	118.7°
O3	C9	C10	H8	121.1°	122.5°
O3	C9	C8	H8	122.6°	122.5°
O3	C9	C8	O1	115.9°	120.9°
O3	C9	C8	C11	120.4°	119.7°
O3	C9	C10	H9	147.5°	144.0°
O3	C9	C8	H7	0.1°	1.4°
N1	C2	N3	C1	179.0°	180.0°
N1	C2	C1	C4	1.7°	0.2°
N1	C2	N3	C7	6.6°	0.0°
N1	C2	N3	C6	178.3°	180.0°
N1	C2	C1	C5	177.9°	179.8°
C2	N1	C3	H1	180.0°	180.0°
N2	C4	C1	C2	2.1°	0.0°
N2	C4	C1	N4	177.9°	180.0°
N2	C4	C1	C5	177.5°	180.0°
C4	N2	C3	H1	179.6°	179.9°
N2	C4	N4	H5	0.0°	180.0°
N2	C4	N4	H4	120.0°	0.0°
C7	C10	C9	H9	114.6°	118.2°
C10	C7	N3	C2	136.0°	85.0°
C10	C7	N3	O1	115.7°	114.1°
C10	C7	N3	H6	123.7°	122.8°
C10	C7	O1	H6	117.7°	118.6°
C7	C10	C9	C8	25.6°	20.8°
C10	C7	N3	C6	49.6°	95.0°
C10	C7	O1	C8	35.4°	40.1°
C7	C10	C9	H8	141.0°	139.6°
C7	C10	O4	H16	180.0°	180.0°
C9	C10	C7	N3	154.3°	155.5°
C9	C10	C7	O1	37.2°	37.0°
C10	C9	C8	H8	115.3°	118.7°
C10	C9	C8	O1	6.1°	2.1°
C10	C9	C8	C11	117.6°	121.5°
C10	C9	C8	H7	122.1°	117.4°
C9	C10	C7	H6	81.6°	81.7°
C10	C9	O3	H15	180.0°	65.1°
C9	C10	O4	H16	64.7°	67.3°
N3	C2	C1	C4	179.3°	179.8°
C2	N3	C7	C6	174.4°	179.9°
C2	N3	C7	O1	108.4°	160.9°
N3	C2	C1	C5	1.0°	0.1°
C2	N3	C6	C5	0.1°	0.1°
C2	N3	C6	H3	179.9°	179.9°
C2	N3	C7	H6	12.3°	37.9°
C2	C1	C4	C5	179.5°	180.0°
C2	C1	C4	N4	175.8°	180.0°
C1	C2	N3	C7	174.4°	180.0°
C1	C2	N3	C6	0.7°	0.0°
C2	C1	C5	C6	1.0°	0.2°
C2	C1	C5	H2	179.0°	180.0°
C4	C1	C5	C6	179.5°	179.8°
C4	C1	C5	H2	0.5°	0.0°
C1	C4	N4	H5	177.9°	0.0°
C1	C4	N4	H4	57.9°	180.0°
N4	C4	C1	C5	4.6°	0.0°
C4	N4	H5	H4	120.0°	179.9°
N3	C7	O1	H6	120.2°	122.9°
C7	N3	C6	C5	175.3°	179.8°
N3	C7	O1	C8	157.5°	158.6°
C7	N3	C6	H3	4.7°	0.2°
N3	C7	C10	H9	39.8°	37.4°
C7	O1	C8	C9	18.2°	26.6°
O1	C7	N3	C6	66.1°	19.1°
C7	O1	C8	C11	145.4°	145.9°
O1	C7	C10	H9	77.3°	81.1°
C7	O1	C8	H7	97.0°	92.9°
C9	C8	O1	C11	127.2°	119.4°
C9	C8	O1	H7	115.2°	119.5°
C9	C8	C11	H7	120.2°	121.1°
C9	C8	C11	C12	70.9°	180.0°
C9	C8	C11	O2	54.8°	60.0°
C8	C9	C10	H9	89.0°	97.3°
C9	C8	C11	H10	172.7°	60.0°
C8	C9	O3	H15	62.0°	180.0°
N3	C6	C5	C1	0.5°	0.2°
N3	C6	C5	H3	180.0°	180.0°
N3	C6	C5	H2	179.4°	180.0°
C6	N3	C7	H6	173.3°	142.2°
C1	C5	C6	H2	180.0°	179.7°
C1	C5	C6	H3	179.4°	179.8°
O1	C8	C11	H7	118.3°	121.1°
O1	C8	C11	C12	167.7°	62.2°
O1	C8	C11	O2	66.7°	177.8°
O1	C8	C9	H8	121.5°	116.6°
C8	O1	C7	H6	82.3°	78.5°
O1	C8	C11	H10	51.3°	57.8°
C8	C11	C12	O2	125.8°	120.0°
C8	C11	C12	H10	116.3°	120.0°
C8	C11	O2	H10	117.2°	120.0°
C8	C11	C12	C13	110.4°	95.0°
C8	C11	C12	C17	64.9°	85.0°
C11	C8	C9	H8	2.3°	2.8°
C8	C11	O2	H14	180.0°	60.0°
F1	C14	C13	C15	176.8°	179.8°
F1	C14	C13	C12	174.8°	180.0°
F1	C14	C15	C16	174.7°	180.0°
F1	C14	C15	CL1	10.0°	0.0°
F1	C14	C13	H11	5.2°	0.0°
C12	C11	O2	H10	117.3°	120.0°
C11	C12	C13	C14	174.1°	180.0°
C11	C12	C13	C17	175.4°	180.0°
C11	C12	C17	C16	174.6°	179.8°
C11	C12	C17	H13	5.4°	0.0°
C11	C12	C13	H11	5.8°	0.0°
C12	C11	C8	H7	49.3°	59.0°
C12	C11	O2	H14	54.4°	60.0°
O2	C11	C12	C13	15.3°	145.0°
O2	C11	C12	C17	169.3°	35.0°
O2	C11	C8	H7	175.0°	61.1°
C14	C13	C12	H11	180.0°	180.0°
C14	C13	C12	C17	1.3°	0.0°
C13	C14	C15	C16	2.1°	0.2°
C13	C14	C15	CL1	173.2°	179.8°
C15	C14	C13	C12	2.0°	0.2°
C14	C15	C16	CL1	175.3°	180.0°
C14	C15	C16	C17	1.6°	0.0°
C14	C15	C16	H12	178.4°	180.0°
C15	C14	C13	H11	178.0°	179.8°
C13	C12	C17	C16	0.8°	0.3°
C13	C12	C17	H13	179.2°	180.0°
C13	C12	C11	H10	133.3°	25.0°
C12	C17	C16	C15	0.9°	0.2°
C12	C17	C16	H13	180.0°	179.7°
C12	C17	C16	H12	179.1°	179.8°
C17	C12	C13	H11	178.7°	180.0°
C17	C12	C11	H10	51.4°	155.0°
C15	C16	C17	H12	180.0°	180.0°
C15	C16	C17	H13	179.1°	180.0°
C17	C16	C15	CL1	173.7°	180.0°
CL1	C15	C16	H12	6.3°	0.0°
H13	C17	C16	H12	0.9°	0.0°
H2	C5	C6	H3	0.6°	0.0°
H8	C9	C10	H9	26.4°	21.4°
H8	C9	C8	H7	122.5°	123.9°
H8	C9	O3	H15	59.8°	57.5°
H9	C10	C7	H6	163.9°	160.2°
H9	C10	O4	H16	57.1°	56.3°
H7	C8	C11	H10	67.1°	178.9°
H10	C11	O2	H14	62.8°	180.0°

Release date:	2021-11-17
Definition date:	2021-05-21
Last modified:	2021-11-12
Release status:	REL
Processing site:	RCSB
Derived from:	7MXG