5ZR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	sing	1.38Å	1.43Å
C02	S16	sing	1.76Å	1.70Å	Aromatic
C02	N03	doub	1.29Å	1.32Å	Aromatic
S16	C08	sing	1.76Å	1.70Å	Aromatic
C12	C13	sing	1.53Å	1.53Å
C12	C11	sing	1.53Å	1.56Å
C13	C14	sing	1.53Å	1.54Å
N03	C04	sing	1.34Å	1.38Å	Aromatic
C14	C15	sing	1.53Å	1.55Å
C10	C11	sing	1.53Å	1.55Å
C10	C09	sing	1.53Å	1.55Å
C08	C04	doub	1.35Å	1.43Å	Aromatic
C08	C09	sing	1.51Å	1.53Å
C04	C05	sing	1.47Å	1.54Å
O07	C05	doub	1.22Å	1.26Å
C05	O06	sing	1.35Å	1.27Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
N01	H11	sing	0.97Å	1.00Å
N01	H12	sing	0.97Å	1.00Å
O06	H13	sing	0.97Å	0.95Å
C09	H14	sing	1.09Å	1.10Å
C09	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
C15	H17	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C02	S16	127.1°	125.1°
N01	C02	N03	124.6°	125.2°
C02	N01	H11	109.5°	120.0°
C02	N01	H12	109.4°	120.0°
S16	C02	N03	108.3°	109.6°
C02	S16	C08	96.8°	90.2°
C02	N03	C04	115.5°	116.9°
S16	C08	C04	104.6°	108.2°
S16	C08	C09	127.0°	125.9°
C13	C12	C11	117.4°	109.5°
C12	C13	C14	113.1°	109.5°
C13	C12	H5	107.4°	109.5°
C13	C12	H6	107.5°	109.5°
C12	C13	H7	108.5°	109.5°
C12	C13	H8	108.6°	109.5°
C12	C11	C10	114.5°	109.5°
C12	C11	H3	108.2°	109.5°
C12	C11	H4	108.2°	109.5°
C11	C12	H5	107.5°	109.4°
C11	C12	H6	107.4°	109.5°
C13	C14	C15	113.9°	109.4°
C14	C13	H7	108.5°	109.4°
C14	C13	H8	108.6°	109.5°
C13	C14	H9	108.4°	109.5°
C13	C14	H10	108.4°	109.5°
N03	C04	C08	114.7°	115.0°
N03	C04	C05	120.4°	122.5°
C15	C14	H9	108.3°	109.4°
C15	C14	H10	108.4°	109.5°
C14	C15	H16	109.5°	109.4°
C14	C15	H17	109.4°	109.5°
C14	C15	H18	109.5°	109.4°
C11	C10	C09	122.4°	109.5°
C11	C10	H1	106.2°	109.5°
C11	C10	H2	106.2°	109.4°
C10	C11	H3	108.2°	109.4°
C10	C11	H4	108.2°	109.4°
C10	C09	C08	102.9°	109.5°
C09	C10	H1	106.1°	109.5°
C09	C10	H2	106.2°	109.5°
C10	C09	H14	111.1°	109.5°
C10	C09	H15	111.1°	109.4°
C04	C08	C09	128.2°	125.9°
C08	C04	C05	124.9°	122.5°
C08	C09	H14	111.1°	109.4°
C08	C09	H15	111.1°	109.5°
C04	C05	O07	118.3°	120.0°
C04	C05	O06	122.8°	120.0°
O07	C05	O06	118.9°	120.0°
C05	O06	H13	109.5°	117.0°
H1	C10	H2	109.5°	109.5°
H3	C11	H4	109.4°	109.5°
H5	C12	H6	109.5°	109.5°
H7	C13	H8	109.5°	109.5°
H9	C14	H10	109.4°	109.5°
H11	N01	H12	109.5°	119.9°
H14	C09	H15	109.4°	109.5°
H16	C15	H17	109.5°	109.5°
H16	C15	H18	109.4°	109.5°
H17	C15	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C02	S16	N03	179.6°	179.8°
N01	C02	S16	C08	179.5°	179.9°
N01	C02	N03	C04	179.4°	180.0°
C02	N01	H11	H12	120.0°	179.9°
S16	C02	N03	C04	0.2°	0.2°
C02	S16	C08	C04	0.0°	0.3°
C02	S16	C08	C09	176.4°	180.0°
S16	C02	N01	H11	0.0°	0.1°
S16	C02	N01	H12	120.0°	180.0°
N03	C02	S16	C08	0.1°	0.3°
C02	N03	C04	C08	0.2°	0.0°
C02	N03	C04	C05	180.0°	179.9°
N03	C02	N01	H11	179.5°	179.7°
N03	C02	N01	H12	60.5°	0.2°
S16	C08	C04	N03	0.1°	0.2°
S16	C08	C09	C10	97.7°	89.7°
S16	C08	C04	C09	176.3°	179.7°
S16	C08	C04	C05	179.9°	179.7°
S16	C08	C09	H14	143.3°	150.4°
S16	C08	C09	H15	21.3°	30.3°
C13	C12	C11	H5	121.1°	120.0°
C13	C12	C11	H6	121.2°	120.1°
C12	C13	C14	H7	120.5°	120.0°
C12	C13	C14	H8	120.6°	120.0°
C12	C13	C14	C15	176.9°	180.0°
C13	C12	C11	C10	146.5°	180.0°
C13	C12	C11	H3	25.8°	60.1°
C13	C12	C11	H4	92.7°	60.0°
C13	C12	H5	H6	116.4°	120.0°
C12	C13	H7	H8	118.3°	120.0°
C12	C13	C14	H9	56.2°	60.1°
C12	C13	C14	H10	62.5°	60.0°
C11	C12	C13	C14	70.3°	180.0°
C12	C11	C10	H3	120.8°	120.0°
C12	C11	C10	H4	120.8°	120.0°
C12	C11	C10	C09	156.2°	180.0°
C12	C11	C10	H1	34.4°	59.9°
C12	C11	C10	H2	82.0°	60.0°
C12	C11	H3	H4	117.7°	120.0°
C11	C12	H5	H6	116.4°	120.0°
C11	C12	C13	H7	50.2°	60.0°
C11	C12	C13	H8	169.1°	60.0°
C13	C14	C15	H9	120.7°	120.0°
C13	C14	C15	H10	120.7°	120.0°
C14	C13	C12	H5	50.8°	60.0°
C14	C13	C12	H6	168.5°	60.0°
C14	C13	H7	H8	118.3°	120.0°
C13	C14	H9	H10	118.0°	120.1°
C13	C14	C15	H16	180.0°	180.0°
C13	C14	C15	H17	60.0°	60.0°
C13	C14	C15	H18	60.0°	60.0°
N03	C04	C08	C05	179.8°	180.0°
N03	C04	C08	C09	176.2°	180.0°
N03	C04	C05	O07	8.0°	180.0°
N03	C04	C05	O06	171.6°	0.0°
C15	C14	C13	H7	62.6°	60.0°
C15	C14	C13	H8	56.3°	60.0°
C15	C14	H9	H10	118.0°	120.0°
C14	C15	H16	H17	120.0°	120.0°
C14	C15	H16	H18	120.0°	119.9°
C14	C15	H17	H18	120.0°	120.0°
C11	C10	C09	H1	121.8°	120.0°
C11	C10	C09	H2	121.8°	119.9°
C11	C10	C09	C08	170.7°	180.0°
C11	C10	H1	H2	114.2°	119.9°
C10	C11	H3	H4	117.7°	119.9°
C10	C11	C12	H5	92.3°	60.0°
C10	C11	C12	H6	25.4°	59.9°
C11	C10	C09	H14	70.3°	60.0°
C11	C10	C09	H15	51.8°	60.0°
C10	C09	C08	C04	77.9°	90.0°
C10	C09	C08	H14	119.0°	120.0°
C10	C09	C08	H15	119.0°	120.0°
C09	C10	H1	H2	114.2°	120.1°
C09	C10	C11	H3	83.0°	60.0°
C09	C10	C11	H4	35.4°	60.0°
C10	C09	H14	H15	123.1°	120.0°
C08	C04	C05	O07	171.8°	0.0°
C08	C04	C05	O06	8.6°	180.0°
C04	C08	C09	H14	41.1°	30.0°
C04	C08	C09	H15	163.2°	150.0°
C09	C08	C04	C05	3.6°	0.0°
C08	C09	C10	H1	49.0°	60.0°
C08	C09	C10	H2	67.4°	60.0°
C08	C09	H14	H15	123.0°	120.0°
C04	C05	O07	O06	179.6°	180.0°
C04	C05	O06	H13	179.6°	180.0°
O07	C05	O06	H13	0.0°	0.0°
H1	C10	C11	H3	155.2°	60.1°
H1	C10	C11	H4	86.3°	180.0°
H1	C10	C09	H14	167.9°	179.9°
H1	C10	C09	H15	70.0°	60.0°
H2	C10	C11	H3	38.8°	180.0°
H2	C10	C11	H4	157.2°	60.0°
H2	C10	C09	H14	51.5°	59.9°
H2	C10	C09	H15	173.6°	180.0°
H3	C11	C12	H5	146.9°	180.0°
H3	C11	C12	H6	95.4°	60.0°
H4	C11	C12	H5	28.4°	60.0°
H4	C11	C12	H6	146.1°	179.9°
H5	C12	C13	H7	171.3°	180.0°
H5	C12	C13	H8	69.7°	60.0°
H6	C12	C13	H7	71.0°	60.0°
H6	C12	C13	H8	48.0°	180.0°
H7	C13	C14	H9	176.8°	180.0°
H7	C13	C14	H10	58.1°	60.0°
H8	C13	C14	H9	64.3°	60.0°
H8	C13	C14	H10	177.0°	179.9°
H9	C14	C15	H16	59.3°	60.0°
H9	C14	C15	H17	179.3°	180.0°
H9	C14	C15	H18	60.6°	60.0°
H10	C14	C15	H16	59.3°	60.0°
H10	C14	C15	H17	60.7°	60.0°
H10	C14	C15	H18	179.3°	180.0°
H16	C15	H17	H18	120.0°	120.0°

Release date:	2023-11-01
Definition date:	2023-01-10
Last modified:	2023-10-27
Release status:	REL
Processing site:	PDBC
Derived from:	8HXW