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Summary Geometry Related PDB entries

A1C1M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	O01	sing	1.35Å	1.27Å
O03	C02	doub	1.22Å	1.26Å
C04	C02	sing	1.47Å	1.53Å
C05	C04	doub	1.36Å	1.38Å	Aromatic
C06	C05	sing	1.41Å	1.38Å	Aromatic
C07	C06	doub	1.40Å	1.35Å	Aromatic
C08	C07	sing	1.36Å	1.39Å	Aromatic
C09	C08	doub	1.39Å	1.39Å	Aromatic
CL10	C09	sing	1.74Å	1.80Å
C11	C09	sing	1.38Å	1.37Å	Aromatic
C12	C11	doub	1.39Å	1.39Å	Aromatic
N13	C12	sing	1.38Å	1.32Å	Aromatic
C04	N13	sing	1.38Å	1.32Å	Aromatic
C06	C12	sing	1.41Å	1.38Å	Aromatic
C05	H051	sing	1.08Å	1.08Å
C07	H071	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
N13	H131	sing	0.97Å	1.00Å
O01	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	O03	120.6°	120.0°
O01	C02	C04	119.4°	120.0°
C02	O01	H1	109.5°	117.0°
O03	C02	C04	119.9°	120.0°
C02	C04	C05	125.4°	125.5°
C02	C04	N13	124.9°	125.4°
C04	C05	C06	104.9°	107.7°
C05	C04	N13	109.7°	109.2°
C04	C05	H051	127.5°	126.1°
C05	C06	C07	130.0°	133.3°
C05	C06	C12	108.0°	107.0°
C06	C05	H051	127.5°	126.2°
C06	C07	C08	112.9°	119.8°
C07	C06	C12	122.0°	119.7°
C06	C07	H071	123.5°	120.0°
C07	C08	C09	127.4°	120.6°
C08	C07	H071	123.6°	120.1°
C07	C08	H081	116.3°	119.7°
C08	C09	CL10	122.8°	119.7°
C08	C09	C11	117.9°	120.7°
C09	C08	H081	116.3°	119.7°
CL10	C09	C11	119.3°	119.6°
C09	C11	C12	115.8°	119.8°
C09	C11	H111	122.1°	120.2°
C11	C12	N13	128.4°	133.1°
C11	C12	C06	124.1°	119.4°
C12	C11	H111	122.1°	120.1°
C12	N13	C04	109.8°	108.7°
N13	C12	C06	107.6°	107.4°
C12	N13	H131	125.1°	125.6°
C04	N13	H131	125.1°	125.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	O03	C04	179.5°	179.7°
O01	C02	C04	C05	84.6°	179.7°
O01	C02	C04	N13	95.1°	0.0°
O03	C02	C04	C05	95.9°	0.0°
O03	C02	C04	N13	84.4°	179.7°
O03	C02	O01	H1	0.0°	0.2°
C02	C04	C05	N13	179.7°	179.7°
C02	C04	C05	C06	179.7°	180.0°
C02	C04	N13	C12	179.6°	179.9°
C02	C04	C05	H051	0.3°	0.1°
C02	C04	N13	H131	0.4°	0.1°
C04	C02	O01	H1	179.5°	180.0°
C04	C05	C06	H051	180.0°	180.0°
C04	C05	C06	C07	179.7°	180.0°
C05	C04	N13	C12	0.1°	0.4°
C04	C05	C06	C12	0.0°	0.0°
C05	C04	N13	H131	179.8°	179.7°
C05	C06	C07	C12	179.7°	180.0°
C05	C06	C07	C08	179.1°	180.0°
C05	C06	C12	C11	179.8°	180.0°
C05	C06	C12	N13	0.1°	0.2°
C06	C05	C04	N13	0.1°	0.2°
C05	C06	C07	H071	0.9°	0.1°
C06	C07	C08	H071	180.0°	180.0°
C06	C07	C08	C09	2.0°	0.0°
C07	C06	C12	C11	0.1°	0.0°
C07	C06	C12	N13	179.6°	179.8°
C07	C06	C05	H051	0.3°	0.0°
C06	C07	C08	H081	178.0°	179.9°
C07	C08	C09	H081	180.0°	179.9°
C07	C08	C09	CL10	178.6°	180.0°
C07	C08	C09	C11	1.6°	0.0°
C08	C07	C06	C12	1.2°	0.0°
C08	C09	CL10	C11	179.8°	180.0°
C08	C09	C11	C12	0.2°	0.0°
C09	C08	C07	H071	178.0°	180.0°
C08	C09	C11	H111	179.8°	180.0°
CL10	C09	C11	C12	180.0°	180.0°
CL10	C09	C08	H081	1.4°	0.1°
CL10	C09	C11	H111	0.0°	0.0°
C09	C11	C12	H111	180.0°	180.0°
C09	C11	C12	N13	179.9°	179.7°
C09	C11	C12	C06	0.5°	0.0°
C11	C09	C08	H081	178.4°	179.9°
C11	C12	N13	C06	179.7°	179.7°
C11	C12	N13	C04	179.8°	179.9°
C11	C12	N13	H131	0.2°	0.0°
C12	N13	C04	H131	180.0°	179.9°
N13	C12	C11	H111	0.1°	0.4°
C04	N13	C12	C06	0.2°	0.4°
N13	C04	C05	H051	179.9°	179.8°
C12	C06	C05	H051	180.0°	180.0°
C12	C06	C07	H071	178.8°	180.0°
C06	C12	C11	H111	179.6°	180.0°
C06	C12	N13	H131	179.8°	179.7°
H071	C07	C08	H081	2.0°	0.1°

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