9E0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C11	doub	1.21Å	1.25Å
C12	C10	sing	1.53Å	1.51Å
C11	O02	sing	1.34Å	1.27Å
C11	C09	sing	1.51Å	1.51Å
S01	C09	sing	1.81Å	1.83Å
S01	C05	sing	1.76Å	1.79Å
C10	C09	sing	1.53Å	1.52Å
C10	C07	sing	1.51Å	1.56Å
C05	C02	doub	1.37Å	1.52Å	Aromatic
C05	C06	sing	1.41Å	1.24Å	Aromatic
C07	C06	sing	1.47Å	1.47Å	Aromatic
C07	C08	doub	1.33Å	1.48Å	Aromatic
C02	C01	sing	1.40Å	1.41Å	Aromatic
C06	C04	doub	1.39Å	1.50Å	Aromatic
C08	N01	sing	1.38Å	1.47Å	Aromatic
C01	C03	doub	1.38Å	1.41Å	Aromatic
C04	C03	sing	1.39Å	1.38Å	Aromatic
C04	N01	sing	1.38Å	1.54Å	Aromatic
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
N01	H12	sing	0.97Å	1.00Å
O02	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C11	O02	122.4°	120.0°
O01	C11	C09	117.1°	120.0°
C12	C10	C09	110.5°	109.4°
C12	C10	C07	117.9°	109.2°
C12	C10	H8	109.2°	109.3°
C10	C12	H9	109.5°	109.5°
C10	C12	H10	109.5°	109.5°
C10	C12	H11	109.5°	109.5°
O02	C11	C09	120.4°	120.0°
C11	O02	H13	109.5°	117.0°
C11	C09	S01	109.2°	109.1°
C11	C09	C10	109.6°	109.1°
C11	C09	H7	110.1°	109.1°
C09	S01	C05	97.0°	102.6°
S01	C09	C10	111.5°	111.9°
S01	C09	H7	106.5°	108.6°
S01	C05	C02	121.6°	125.2°
S01	C05	C06	119.8°	116.0°
C09	C10	C07	101.2°	109.8°
C10	C09	H7	110.0°	109.1°
C09	C10	H8	109.1°	109.4°
C10	C07	C06	116.3°	121.6°
C10	C07	C08	123.2°	132.6°
C07	C10	H8	108.6°	109.7°
C02	C05	C06	118.6°	118.8°
C05	C02	C01	118.2°	118.8°
C05	C02	H2	120.9°	120.7°
C05	C06	C07	131.9°	128.9°
C05	C06	C04	123.5°	123.0°
C06	C07	C08	106.0°	105.8°
C07	C06	C04	104.5°	108.1°
C07	C08	N01	104.8°	110.1°
C07	C08	H5	127.6°	124.9°
C02	C01	C03	121.9°	122.2°
C02	C01	H1	119.0°	118.9°
C01	C02	H2	120.9°	120.6°
C06	C04	C03	119.9°	117.1°
C06	C04	N01	107.5°	105.8°
C08	N01	C04	102.5°	110.3°
N01	C08	H5	127.6°	125.0°
C08	N01	H12	128.8°	124.8°
C01	C03	C04	117.8°	120.1°
C03	C01	H1	119.1°	118.9°
C01	C03	H3	121.1°	120.0°
C03	C04	N01	132.6°	137.1°
C04	C03	H3	121.1°	119.9°
C04	N01	H12	128.8°	124.9°
H9	C12	H10	109.5°	109.4°
H9	C12	H11	109.4°	109.5°
H10	C12	H11	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C11	O02	C09	178.9°	179.9°
O01	C11	C09	S01	0.1°	153.6°
O01	C11	C09	C10	122.2°	83.9°
O01	C11	C09	H7	116.7°	35.1°
O01	C11	O02	H13	0.0°	0.2°
C12	C10	C09	C11	68.3°	60.3°
C12	C10	C09	S01	52.7°	60.5°
C12	C10	C09	C07	125.7°	119.8°
C12	C10	C09	H8	120.0°	119.7°
C12	C10	C07	H8	124.8°	119.8°
C12	C10	C07	C06	70.0°	88.7°
C12	C10	C07	C08	63.9°	91.4°
C12	C10	C09	H7	170.5°	179.3°
C10	C12	H9	H10	120.0°	120.0°
C10	C12	H9	H11	120.0°	120.0°
C10	C12	H10	H11	120.0°	120.0°
O02	C11	C09	S01	178.8°	26.5°
O02	C11	C09	C10	58.8°	96.0°
O02	C11	C09	H7	62.3°	145.0°
C11	C09	S01	C10	121.2°	120.8°
C11	C09	S01	H7	118.8°	118.7°
C11	C09	S01	C05	179.7°	176.7°
C11	C09	C10	H7	121.2°	119.0°
C11	C09	C10	C07	166.1°	179.9°
C11	C09	C10	H8	51.7°	59.4°
C09	C11	O02	H13	178.9°	180.0°
S01	C09	C10	H7	117.9°	120.2°
S01	C09	C10	C07	73.0°	59.4°
C09	S01	C05	C02	159.3°	154.3°
C09	S01	C05	C06	21.8°	25.4°
S01	C09	C10	H8	172.7°	179.8°
C05	S01	C09	C10	58.5°	55.9°
S01	C05	C02	C06	178.9°	179.6°
S01	C05	C06	C07	5.5°	0.1°
S01	C05	C02	C01	179.9°	179.7°
S01	C05	C06	C04	179.4°	179.3°
S01	C05	C02	H2	0.1°	0.3°
C05	S01	C09	H7	61.5°	64.6°
C09	C10	C07	H8	114.7°	120.3°
C09	C10	C07	C06	50.6°	31.2°
C09	C10	C07	C08	175.6°	148.7°
C09	C10	C12	H9	180.0°	59.2°
C09	C10	C12	H10	60.0°	179.2°
C09	C10	C12	H11	60.0°	60.8°
C10	C07	C06	C05	18.7°	0.2°
C10	C07	C06	C08	141.1°	179.9°
C10	C07	C06	C04	166.5°	179.6°
C10	C07	C08	N01	176.9°	179.1°
C10	C07	C08	H5	3.1°	0.2°
C07	C10	C09	H7	44.9°	60.8°
C07	C10	C12	H9	64.4°	61.0°
C07	C10	C12	H10	175.5°	59.0°
C07	C10	C12	H11	55.6°	179.0°
C02	C05	C06	C07	175.5°	179.6°
C05	C02	C01	H2	180.0°	180.0°
C02	C05	C06	C04	1.6°	1.1°
C05	C02	C01	C03	0.6°	0.1°
C05	C02	C01	H1	179.4°	179.7°
C05	C06	C07	C04	174.8°	179.4°
C05	C06	C07	C08	159.8°	179.9°
C06	C05	C02	C01	1.0°	0.7°
C05	C06	C04	C03	1.9°	0.7°
C05	C06	C04	N01	178.6°	179.2°
C06	C05	C02	H2	179.0°	179.3°
C06	C07	C08	N01	39.1°	1.0°
C07	C06	C04	C03	177.2°	179.8°
C07	C06	C04	N01	3.2°	0.2°
C06	C07	C08	H5	140.9°	179.9°
C06	C07	C10	H8	165.3°	151.5°
C08	C07	C06	C04	25.4°	0.5°
C07	C08	N01	H5	180.0°	178.8°
C07	C08	N01	C04	35.3°	1.2°
C08	C07	C10	H8	60.9°	28.4°
C07	C08	N01	H12	144.7°	179.3°
C02	C01	C03	H1	180.0°	179.7°
C02	C01	C03	C04	0.9°	0.4°
C02	C01	C03	H3	179.1°	179.6°
C06	C04	N01	C08	19.8°	0.9°
C06	C04	C03	C01	1.4°	0.1°
C06	C04	C03	N01	179.4°	179.9°
C06	C04	C03	H3	178.6°	180.0°
C06	C04	N01	H12	160.2°	179.7°
C08	N01	C04	C03	159.7°	179.2°
C08	N01	C04	H12	180.0°	179.4°
C01	C03	C04	H3	180.0°	179.9°
C01	C03	C04	N01	179.2°	180.0°
C03	C01	C02	H2	179.4°	180.0°
C04	C03	C01	H1	179.2°	179.9°
C03	C04	N01	H12	20.3°	0.2°
N01	C04	C03	H3	0.8°	0.1°
C04	N01	C08	H5	144.7°	179.9°
H1	C01	C02	H2	0.6°	0.3°
H1	C01	C03	H3	0.9°	0.1°
H5	C08	N01	H12	35.3°	0.5°
H7	C09	C10	H8	69.4°	59.6°
H8	C10	C12	H9	60.1°	179.0°
H8	C10	C12	H10	60.0°	61.0°
H8	C10	C12	H11	180.0°	59.0°
H9	C12	H10	H11	120.0°	120.0°

Release date:	2021-07-21
Definition date:	2018-03-21
Last modified:	2021-07-16
Release status:	REL
Processing site:	RCSB
Derived from:	5ZIV