ZJR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.22Å	1.25Å
C1	N1	sing	1.35Å	1.34Å
N1	C2	sing	1.46Å	1.46Å
C2	C3	sing	1.47Å	1.46Å
C3	C4	trip	1.17Å	1.19Å
C1	N2	sing	1.35Å	1.37Å
N2	C5	sing	1.47Å	1.47Å
C5	C6	sing	1.53Å	1.52Å
C6	N3	sing	1.47Å	1.47Å
N3	C7	sing	1.47Å	1.46Å
C7	C8	sing	1.53Å	1.52Å
N3	C9	sing	1.35Å	1.35Å
C9	O2	doub	1.22Å	1.23Å
C9	C10	sing	1.47Å	1.46Å
C10	C11	doub	1.37Å	1.36Å	Aromatic
C11	C12	sing	1.40Å	1.42Å	Aromatic
C12	C13	doub	1.35Å	1.36Å	Aromatic
C13	O3	sing	1.34Å	1.37Å	Aromatic
N2	C8	sing	1.47Å	1.47Å
C10	O3	sing	1.35Å	1.37Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H4	sing	1.05Å	1.06Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C13	H15	sing	1.08Å	1.08Å
C11	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N1	119.3°	120.0°
O1	C1	N2	121.3°	120.1°
C1	N1	C2	119.1°	120.0°
N1	C1	N2	119.2°	119.9°
C1	N1	H1	120.4°	120.0°
N1	C2	C3	113.0°	109.5°
C2	N1	H1	120.5°	120.0°
N1	C2	H2	108.6°	109.5°
N1	C2	H3	108.6°	109.4°
C2	C3	C4	170.4°	180.0°
C3	C2	H2	108.6°	109.5°
C3	C2	H3	108.6°	109.5°
C3	C4	H4	180.0°	180.0°
C1	N2	C5	120.9°	120.6°
C1	N2	C8	124.8°	120.3°
N2	C5	C6	112.1°	108.8°
C5	N2	C8	114.1°	119.0°
N2	C5	H5	108.8°	109.2°
N2	C5	H6	108.8°	110.1°
C5	C6	N3	109.6°	108.6°
C6	C5	H5	108.8°	109.6°
C6	C5	H6	108.8°	109.6°
C5	C6	H8	109.4°	109.6°
C5	C6	H7	109.4°	109.6°
C6	N3	C7	110.2°	118.8°
C6	N3	C9	127.6°	120.6°
N3	C6	H8	109.4°	109.6°
N3	C6	H7	109.4°	109.6°
N3	C7	C8	109.0°	108.7°
C7	N3	C9	122.1°	120.6°
N3	C7	H9	109.6°	109.6°
N3	C7	H10	109.6°	109.5°
C7	C8	N2	111.8°	108.6°
C8	C7	H9	109.6°	109.7°
C8	C7	H10	109.6°	109.6°
C7	C8	H12	108.9°	109.6°
C7	C8	H11	108.9°	109.6°
N3	C9	O2	118.6°	120.0°
N3	C9	C10	124.5°	120.0°
O2	C9	C10	116.7°	120.0°
C9	C10	C11	130.8°	126.0°
C9	C10	O3	119.7°	126.0°
C10	C11	C12	107.3°	106.7°
C11	C10	O3	109.5°	108.0°
C10	C11	H13	126.3°	126.7°
C11	C12	C13	106.1°	107.1°
C12	C11	H13	126.4°	126.6°
C11	C12	H14	126.9°	126.5°
C12	C13	O3	110.2°	108.8°
C12	C13	H15	124.9°	125.6°
C13	C12	H14	126.9°	126.4°
C13	O3	C10	106.9°	109.4°
O3	C13	H15	124.9°	125.6°
N2	C8	H12	108.9°	109.6°
N2	C8	H11	108.9°	109.7°
H5	C5	H6	109.5°	109.6°
H8	C6	H7	109.5°	109.8°
H9	C7	H10	109.5°	109.7°
H12	C8	H11	109.5°	109.6°
H2	C2	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N1	N2	174.8°	179.9°
O1	C1	N1	C2	2.1°	5.3°
O1	C1	N2	C5	8.3°	174.7°
O1	C1	N2	C8	177.0°	4.6°
O1	C1	N1	H1	177.9°	174.6°
C1	N1	C2	H1	180.0°	179.8°
C1	N1	C2	C3	140.4°	179.8°
N1	C1	N2	C5	166.4°	5.4°
N1	C1	N2	C8	8.3°	175.3°
C1	N1	C2	H2	19.9°	60.2°
C1	N1	C2	H3	99.0°	59.8°
N1	C2	C3	H2	120.5°	120.0°
N1	C2	C3	H3	120.5°	120.0°
N1	C2	C3	C4	42.6°	6.9°
C2	N1	C1	N2	176.9°	174.8°
N1	C2	H2	H3	118.4°	120.0°
C3	C2	N1	H1	39.6°	0.1°
C2	C3	C4	H4	113.2°	122.1°
C3	C2	H2	H3	118.4°	120.0°
C4	C3	C2	H2	163.1°	113.1°
C4	C3	C2	H3	78.0°	126.9°
C1	N2	C5	C8	175.2°	179.4°
C1	N2	C5	C6	136.9°	124.8°
C1	N2	C8	C7	136.0°	124.6°
N2	C1	N1	H1	3.1°	5.3°
C1	N2	C5	H5	16.5°	115.7°
C1	N2	C5	H6	102.7°	4.7°
C1	N2	C8	H12	15.6°	4.8°
C1	N2	C8	H11	103.7°	115.6°
N2	C5	C6	H5	120.4°	119.3°
N2	C5	C6	H6	120.4°	120.4°
N2	C5	C6	N3	53.3°	49.0°
C5	N2	C8	C7	49.0°	54.8°
N2	C5	H5	H6	118.8°	120.6°
N2	C5	C6	H8	66.8°	168.7°
N2	C5	C6	H7	173.3°	70.8°
C5	N2	C8	H12	169.4°	174.6°
C5	N2	C8	H11	71.3°	65.0°
C5	C6	N3	H8	120.0°	119.7°
C5	C6	N3	H7	120.0°	119.7°
C5	C6	N3	C7	61.8°	55.2°
C5	C6	N3	C9	115.4°	125.0°
C6	C5	N2	C8	47.9°	54.6°
C6	C5	H5	H6	118.8°	120.3°
C5	C6	H8	H7	119.9°	120.4°
C6	N3	C7	C9	177.4°	179.8°
C6	N3	C7	C8	62.8°	55.5°
C6	N3	C9	O2	167.9°	6.8°
C6	N3	C9	C10	16.2°	173.1°
N3	C6	C5	H5	173.6°	70.3°
N3	C6	C5	H6	67.1°	169.4°
N3	C6	H8	H7	119.9°	120.5°
C6	N3	C7	H9	57.1°	64.3°
C6	N3	C7	H10	177.3°	175.2°
N3	C7	C8	H9	119.9°	119.7°
N3	C7	C8	H10	119.9°	119.7°
C7	N3	C9	O2	15.2°	173.4°
C7	N3	C9	C10	160.7°	6.7°
N3	C7	C8	N2	55.6°	49.4°
C7	N3	C6	H8	58.2°	174.9°
C7	N3	C6	H7	178.2°	64.5°
N3	C7	H9	H10	120.2°	120.3°
N3	C7	C8	H12	176.0°	169.2°
N3	C7	C8	H11	64.7°	70.5°
C8	C7	N3	C9	114.6°	124.7°
C7	C8	N2	H12	120.4°	119.8°
C7	C8	N2	H11	120.4°	119.8°
C8	C7	H9	H10	120.2°	120.5°
C7	C8	H12	H11	119.0°	120.4°
N3	C9	O2	C10	176.2°	179.9°
N3	C9	C10	C11	169.4°	172.6°
N3	C9	C10	O3	12.3°	7.7°
C9	N3	C6	H8	124.5°	5.3°
C9	N3	C6	H7	4.6°	115.3°
C9	N3	C7	H9	125.5°	115.5°
C9	N3	C7	H10	5.4°	5.0°
O2	C9	C10	C11	14.6°	7.5°
O2	C9	C10	O3	163.7°	172.2°
C9	C10	C11	O3	178.4°	179.8°
C9	C10	C11	C12	179.2°	179.8°
C9	C10	O3	C13	178.9°	179.8°
C9	C10	C11	H13	0.8°	0.2°
C10	C11	C12	H13	180.0°	180.0°
C10	C11	C12	C13	0.9°	0.0°
C11	C10	O3	C13	0.3°	0.0°
C10	C11	C12	H14	179.1°	180.0°
C11	C12	C13	H14	180.0°	180.0°
C11	C12	C13	O3	0.7°	0.0°
C12	C11	C10	O3	0.7°	0.0°
C11	C12	C13	H15	179.3°	180.0°
C12	C13	O3	H15	180.0°	180.0°
C12	C13	O3	C10	0.3°	0.0°
C13	C12	C11	H13	179.1°	180.0°
O3	C13	C12	H14	179.3°	180.0°
C8	N2	C5	H5	168.3°	65.0°
C8	N2	C5	H6	72.5°	174.7°
N2	C8	C7	H9	64.3°	70.3°
N2	C8	C7	H10	175.6°	169.1°
N2	C8	H12	H11	118.9°	120.5°
C10	O3	C13	H15	179.7°	180.0°
O3	C10	C11	H13	179.3°	180.0°
H1	N1	C2	H2	160.1°	120.0°
H1	N1	C2	H3	81.0°	120.1°
H5	C5	C6	H8	53.6°	49.4°
H5	C5	C6	H7	66.3°	169.9°
H6	C5	C6	H8	172.9°	70.9°
H6	C5	C6	H7	52.9°	49.6°
H9	C7	C8	H12	56.1°	49.4°
H9	C7	C8	H11	175.4°	169.8°
H10	C7	C8	H12	64.1°	71.1°
H10	C7	C8	H11	55.2°	49.2°
H15	C13	C12	H14	0.7°	0.0°
H13	C11	C12	H14	0.9°	0.0°

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