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Summary Geometry Related PDB entries

6W6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.22Å	1.26Å
C02	O03	sing	1.35Å	1.26Å
C02	C04	sing	1.42Å	1.52Å
C04	C05	doub	1.37Å	1.44Å	Aromatic
C04	S15	sing	1.76Å	1.68Å	Aromatic
C05	N06	sing	1.40Å	1.45Å
C05	C13	sing	1.38Å	1.56Å	Aromatic
N06	C07	sing	1.37Å	1.40Å	Aromatic
N06	C11	sing	1.37Å	1.41Å	Aromatic
C07	CL1	sing	1.74Å	1.77Å
C07	C09	doub	1.35Å	1.39Å	Aromatic
C09	C10	sing	1.41Å	1.43Å	Aromatic
C10	C11	doub	1.35Å	1.40Å	Aromatic
C11	CL2	sing	1.74Å	1.77Å
C13	C14	doub	1.34Å	1.45Å	Aromatic
C14	S15	sing	1.71Å	1.68Å	Aromatic
O03	H1	sing	0.97Å	0.95Å
C09	H091	sing	1.08Å	1.08Å
C10	H101	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	O03	121.3°	120.0°
O01	C02	C04	120.2°	120.0°
O03	C02	C04	118.5°	120.0°
C02	O03	H1	109.5°	114.0°
C02	C04	C05	123.0°	125.5°
C02	C04	S15	126.6°	125.5°
C05	C04	S15	110.3°	109.0°
C04	C05	N06	123.5°	123.5°
C04	C05	C13	110.4°	113.0°
C04	S15	C14	99.1°	91.7°
N06	C05	C13	126.1°	123.5°
C05	N06	C07	125.5°	125.7°
C05	N06	C11	126.6°	125.7°
C05	C13	C14	109.9°	115.1°
C05	C13	H131	125.1°	122.5°
C07	N06	C11	107.9°	108.6°
N06	C07	CL1	123.7°	125.9°
N06	C07	C09	108.6°	108.2°
N06	C11	C10	108.3°	108.2°
N06	C11	CL2	124.1°	125.9°
CL1	C07	C09	127.7°	125.9°
C07	C09	C10	107.6°	107.5°
C07	C09	H091	126.2°	126.2°
C09	C10	C11	107.6°	107.5°
C10	C09	H091	126.2°	126.2°
C09	C10	H101	126.2°	126.3°
C10	C11	CL2	127.6°	125.9°
C11	C10	H101	126.2°	126.2°
C13	C14	S15	110.2°	111.2°
C14	C13	H131	125.0°	122.4°
C13	C14	H141	124.9°	124.4°
S15	C14	H141	124.9°	124.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	O03	C04	179.7°	179.7°
O01	C02	C04	C05	171.0°	0.0°
O01	C02	C04	S15	8.9°	179.7°
O01	C02	O03	H1	0.0°	0.0°
O03	C02	C04	C05	8.7°	179.8°
O03	C02	C04	S15	171.3°	0.6°
C02	C04	C05	S15	180.0°	179.7°
C02	C04	C05	N06	0.2°	0.1°
C02	C04	C05	C13	179.8°	179.9°
C02	C04	S15	C14	180.0°	180.0°
C04	C02	O03	H1	179.7°	179.7°
C04	C05	N06	C13	179.6°	180.0°
C04	C05	N06	C07	100.3°	90.0°
C04	C05	N06	C11	78.7°	89.7°
C04	C05	C13	C14	0.3°	0.0°
C05	C04	S15	C14	0.0°	0.3°
C04	C05	C13	H131	179.7°	180.0°
S15	C04	C05	N06	179.9°	179.8°
S15	C04	C05	C13	0.2°	0.2°
C04	S15	C14	C13	0.2°	0.3°
C04	S15	C14	H141	179.8°	179.9°
C05	N06	C07	C11	179.2°	179.7°
C05	N06	C07	CL1	0.8°	0.0°
C05	N06	C07	C09	179.9°	179.9°
C05	N06	C11	C10	179.7°	179.9°
C05	N06	C11	CL2	0.5°	0.0°
N06	C05	C13	C14	180.0°	180.0°
N06	C05	C13	H131	0.0°	0.0°
C13	C05	N06	C07	79.3°	90.0°
C13	C05	N06	C11	101.7°	90.3°
C05	C13	C14	H131	180.0°	180.0°
C05	C13	C14	S15	0.3°	0.2°
C05	C13	C14	H141	179.7°	180.0°
N06	C07	CL1	C09	179.2°	179.9°
N06	C07	C09	C10	0.6°	0.0°
C07	N06	C11	C10	0.5°	0.4°
C07	N06	C11	CL2	179.7°	179.7°
N06	C07	C09	H091	179.4°	180.0°
C11	N06	C07	CL1	180.0°	179.7°
C11	N06	C07	C09	0.7°	0.2°
N06	C11	C10	C09	0.1°	0.4°
N06	C11	C10	CL2	179.8°	179.9°
N06	C11	C10	H101	179.9°	179.9°
CL1	C07	C09	C10	179.9°	180.0°
CL1	C07	C09	H091	0.1°	0.0°
C07	C09	C10	H091	180.0°	180.0°
C07	C09	C10	C11	0.3°	0.2°
C07	C09	C10	H101	179.7°	179.9°
C09	C10	C11	H101	180.0°	179.7°
C09	C10	C11	CL2	179.9°	179.7°
C11	C10	C09	H091	179.7°	179.7°
CL2	C11	C10	H101	0.1°	0.0°
C13	C14	S15	H141	180.0°	179.8°
S15	C14	C13	H131	179.7°	179.8°
H091	C09	C10	H101	0.3°	0.0°
H131	C13	C14	H141	0.3°	0.0°

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