Z3H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O09	C08	sing	1.43Å	1.40Å
O09	C10	sing	1.36Å	1.44Å
C11	C10	doub	1.39Å	1.41Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C08	C07	sing	1.53Å	1.51Å
C10	C15	sing	1.38Å	1.40Å	Aromatic
C12	C13	doub	1.38Å	1.41Å	Aromatic
C07	C06	sing	1.53Å	1.51Å
C15	C06	sing	1.51Å	1.55Å
C15	C14	doub	1.38Å	1.41Å	Aromatic
C13	C14	sing	1.38Å	1.40Å	Aromatic
C06	N05	sing	1.47Å	1.44Å
N05	S02	sing	1.66Å	1.71Å
C01	S02	sing	1.81Å	1.81Å
S02	O04	doub	1.42Å	1.47Å
S02	O03	doub	1.42Å	1.47Å
C13	H1	sing	1.08Å	1.08Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
N05	H5	sing	0.97Å	1.00Å
C06	H6	sing	1.09Å	1.10Å
C07	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.09Å	1.10Å
C08	H9	sing	1.09Å	1.10Å
C08	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C08	O09	C10	120.0°	117.8°
O09	C08	C07	114.7°	108.4°
O09	C08	H9	108.1°	109.7°
O09	C08	H10	108.1°	109.7°
O09	C10	C11	119.7°	118.5°
O09	C10	C15	121.1°	121.9°
C10	C11	C12	119.9°	120.2°
C11	C10	C15	119.2°	119.7°
C10	C11	H11	120.1°	119.9°
C11	C12	C13	120.6°	120.0°
C12	C11	H11	120.1°	119.9°
C11	C12	H12	119.7°	120.0°
C08	C07	C06	107.1°	108.3°
C08	C07	H7	110.1°	109.7°
C08	C07	H8	110.1°	109.8°
C07	C08	H9	108.1°	109.7°
C07	C08	H10	108.2°	109.7°
C10	C15	C06	117.1°	121.4°
C10	C15	C14	121.3°	119.9°
C12	C13	C14	120.0°	120.0°
C12	C13	H1	120.0°	120.0°
C13	C12	H12	119.7°	120.0°
C07	C06	C15	111.8°	109.7°
C07	C06	N05	113.5°	109.5°
C07	C06	H6	106.3°	109.4°
C06	C07	H7	110.1°	109.7°
C06	C07	H8	110.1°	109.7°
C06	C15	C14	121.5°	118.7°
C15	C06	N05	111.7°	109.4°
C15	C06	H6	105.9°	109.4°
C15	C14	C13	119.0°	120.3°
C15	C14	H13	120.5°	119.9°
C14	C13	H1	120.0°	120.0°
C13	C14	H13	120.5°	119.8°
C06	N05	S02	118.4°	120.0°
C06	N05	H5	107.2°	120.0°
N05	C06	H6	107.1°	109.4°
N05	S02	C01	113.0°	104.5°
N05	S02	O04	110.1°	104.2°
N05	S02	O03	109.0°	104.3°
S02	N05	H5	107.2°	120.1°
C01	S02	O04	112.1°	110.6°
C01	S02	O03	110.1°	110.5°
S02	C01	H2	109.5°	109.5°
S02	C01	H3	109.4°	109.5°
S02	C01	H4	109.5°	109.5°
O04	S02	O03	101.9°	121.0°
H2	C01	H3	109.5°	109.5°
H2	C01	H4	109.5°	109.4°
H3	C01	H4	109.4°	109.5°
H7	C07	H8	109.4°	109.7°
H9	C08	H10	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C08	O09	C10	C11	179.3°	163.2°
O09	C08	C07	H9	120.8°	119.8°
O09	C08	C07	H10	120.8°	119.7°
C08	O09	C10	C15	2.2°	17.0°
O09	C08	C07	C06	56.8°	64.7°
O09	C08	C07	H7	176.5°	54.9°
O09	C08	C07	H8	62.8°	175.5°
O09	C08	H9	H10	117.6°	120.5°
O09	C10	C11	C15	178.5°	179.8°
O09	C10	C11	C12	180.0°	179.6°
C10	O09	C08	C07	30.5°	49.1°
O09	C10	C15	C06	3.0°	0.3°
O09	C10	C15	C14	179.6°	179.7°
C10	O09	C08	H9	90.3°	168.8°
C10	O09	C08	H10	151.3°	70.7°
O09	C10	C11	H11	0.0°	0.4°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	0.6°	0.0°
C11	C10	C15	C06	178.5°	179.9°
C11	C10	C15	C14	1.9°	0.1°
C10	C11	C12	H12	179.4°	180.0°
C12	C11	C10	C15	1.5°	0.1°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.1°	0.2°
C11	C12	C13	H1	179.9°	180.0°
C08	C07	C06	H7	119.6°	119.7°
C08	C07	C06	H8	119.6°	119.8°
C08	C07	C06	C15	56.0°	48.2°
C08	C07	C06	N05	176.5°	168.3°
C08	C07	C06	H6	59.1°	71.8°
C08	C07	H7	H8	121.1°	120.6°
C07	C08	H9	H10	117.6°	120.5°
C10	C15	C06	C07	31.4°	17.8°
C10	C15	C06	C14	176.6°	180.0°
C10	C15	C14	C13	1.4°	0.1°
C10	C15	C06	N05	159.8°	137.9°
C10	C15	C06	H6	83.9°	102.3°
C15	C10	C11	H11	178.5°	179.8°
C10	C15	C14	H13	178.6°	179.9°
C12	C13	C14	C15	0.5°	0.3°
C12	C13	C14	H1	180.0°	179.8°
C13	C12	C11	H11	179.4°	179.9°
C12	C13	C14	H13	179.6°	180.0°
C07	C06	C15	N05	128.4°	120.1°
C07	C06	C15	H6	115.3°	120.0°
C07	C06	C15	C14	152.0°	162.3°
C07	C06	N05	H6	117.0°	119.9°
C07	C06	N05	S02	116.5°	114.4°
C07	C06	N05	H5	4.8°	65.6°
C06	C07	H7	H8	121.1°	120.5°
C06	C07	C08	H9	63.9°	175.5°
C06	C07	C08	H10	177.6°	55.0°
C06	C15	C14	C13	177.8°	179.9°
C15	C06	N05	H6	115.6°	119.9°
C15	C06	N05	S02	116.0°	125.4°
C15	C06	N05	H5	122.7°	54.6°
C15	C06	C07	H7	175.6°	71.5°
C15	C06	C07	H8	63.6°	168.0°
C06	C15	C14	H13	2.2°	0.2°
C15	C14	C13	H13	180.0°	179.7°
C14	C15	C06	N05	23.6°	42.2°
C15	C14	C13	H1	179.5°	179.9°
C14	C15	C06	H6	92.7°	77.7°
C14	C13	C12	H12	179.9°	179.8°
C06	N05	S02	H5	121.3°	180.0°
C06	N05	S02	C01	27.7°	65.0°
C06	N05	S02	O04	98.6°	178.9°
C06	N05	S02	O03	150.4°	51.0°
N05	C06	C07	H7	56.9°	48.6°
N05	C06	C07	H8	63.8°	72.0°
N05	S02	C01	O04	125.2°	111.6°
N05	S02	C01	O03	122.1°	111.6°
N05	S02	O04	O03	115.5°	116.8°
N05	S02	C01	H2	180.0°	179.9°
N05	S02	C01	H3	60.0°	60.0°
N05	S02	C01	H4	60.0°	60.0°
S02	N05	C06	H6	0.5°	5.5°
C01	S02	O04	O03	117.7°	131.5°
S02	C01	H2	H3	120.0°	120.1°
S02	C01	H2	H4	120.0°	119.9°
S02	C01	H3	H4	120.0°	120.0°
C01	S02	N05	H5	149.0°	114.9°
O04	S02	C01	H2	54.8°	68.3°
O04	S02	C01	H3	174.8°	171.6°
O04	S02	C01	H4	65.2°	51.6°
O04	S02	N05	H5	22.7°	1.1°
O03	S02	C01	H2	57.9°	68.4°
O03	S02	C01	H3	62.1°	51.7°
O03	S02	C01	H4	177.9°	171.7°
O03	S02	N05	H5	88.3°	129.0°
H1	C13	C12	H12	0.1°	0.0°
H1	C13	C14	H13	0.5°	0.2°
H2	C01	H3	H4	120.0°	119.9°
H5	N05	C06	H6	121.8°	174.5°
H6	C06	C07	H7	60.6°	168.5°
H6	C06	C07	H8	178.7°	47.9°
H7	C07	C08	H9	55.7°	64.8°
H7	C07	C08	H10	62.7°	174.7°
H8	C07	C08	H9	176.4°	55.8°
H8	C07	C08	H10	58.0°	64.7°
H11	C11	C12	H12	0.6°	0.1°

Release date:	2023-07-12
Definition date:	2023-06-22
Last modified:	2023-07-07
Release status:	REL
Processing site:	RCSB
Derived from:	7G8V