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Summary Geometry Related PDB entries

JBZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	O02	sing	1.43Å	1.42Å
O02	C03	sing	1.36Å	1.41Å
C03	C04	doub	1.39Å	1.39Å	Aromatic
C03	C08	sing	1.38Å	1.39Å	Aromatic
C04	C05	sing	1.36Å	1.39Å	Aromatic
C08	C07	doub	1.39Å	1.40Å	Aromatic
C05	C06	doub	1.42Å	1.41Å	Aromatic
C07	C06	sing	1.40Å	1.39Å	Aromatic
C07	S09	sing	1.76Å	1.73Å	Aromatic
C06	N11	sing	1.33Å	1.38Å	Aromatic
N11	C10	doub	1.29Å	1.34Å	Aromatic
S09	C10	sing	1.76Å	1.73Å	Aromatic
C10	C12	sing	1.48Å	1.50Å
C12	O13	doub	1.21Å	1.27Å
C12	O14	sing	1.35Å	1.25Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C08	H6	sing	1.08Å	1.08Å
O14	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	O02	C03	116.2°	117.0°
O02	C01	H1	109.5°	109.5°
O02	C01	H2	109.4°	109.5°
O02	C01	H3	109.5°	109.5°
O02	C03	C04	120.9°	120.0°
O02	C03	C08	118.3°	120.0°
C04	C03	C08	120.7°	120.0°
C03	C04	C05	119.9°	120.8°
C03	C04	H4	120.0°	119.6°
C03	C08	C07	119.4°	119.9°
C03	C08	H6	120.3°	120.0°
C04	C05	C06	119.9°	120.6°
C05	C04	H4	120.1°	119.6°
C04	C05	H5	120.1°	119.7°
C08	C07	C06	120.4°	120.4°
C08	C07	S09	133.4°	131.3°
C07	C08	H6	120.3°	120.1°
C05	C06	C07	119.7°	118.3°
C05	C06	N11	123.4°	128.8°
C06	C05	H5	120.1°	119.7°
C06	C07	S09	106.1°	108.3°
C07	C06	N11	116.9°	112.9°
C07	S09	C10	93.6°	90.3°
C06	N11	C10	112.8°	118.3°
N11	C10	S09	110.6°	110.2°
N11	C10	C12	129.6°	124.9°
S09	C10	C12	119.8°	124.9°
C10	C12	O13	122.3°	120.0°
C10	C12	O14	115.3°	120.0°
O13	C12	O14	122.0°	120.0°
C12	O14	H7	109.5°	117.0°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.4°	109.5°
H2	C01	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	O02	C03	C04	19.8°	0.0°
C01	O02	C03	C08	160.5°	180.0°
O02	C01	H1	H2	120.0°	120.0°
O02	C01	H1	H3	120.0°	120.0°
O02	C01	H2	H3	120.0°	120.0°
O02	C03	C04	C08	179.7°	180.0°
O02	C03	C04	C05	180.0°	180.0°
O02	C03	C08	C07	179.8°	180.0°
C03	O02	C01	H1	180.0°	180.0°
C03	O02	C01	H2	60.0°	60.0°
C03	O02	C01	H3	60.0°	60.0°
O02	C03	C04	H4	0.0°	0.0°
O02	C03	C08	H6	0.2°	0.0°
C03	C04	C05	H4	180.0°	180.0°
C04	C03	C08	C07	0.5°	0.0°
C03	C04	C05	C06	0.0°	0.1°
C03	C04	C05	H5	180.0°	180.0°
C04	C03	C08	H6	179.5°	180.0°
C08	C03	C04	C05	0.3°	0.0°
C03	C08	C07	H6	180.0°	180.0°
C03	C08	C07	C06	0.4°	0.0°
C03	C08	C07	S09	179.7°	179.7°
C08	C03	C04	H4	179.7°	180.0°
C04	C05	C06	H5	180.0°	179.9°
C04	C05	C06	C07	0.1°	0.1°
C04	C05	C06	N11	179.3°	179.9°
C08	C07	C06	C05	0.1°	0.0°
C08	C07	C06	S09	179.5°	179.8°
C08	C07	C06	N11	179.6°	179.9°
C08	C07	S09	C10	179.6°	180.0°
C05	C06	C07	N11	179.5°	179.8°
C05	C06	C07	S09	179.6°	179.7°
C05	C06	N11	C10	179.7°	180.0°
C06	C05	C04	H4	180.0°	179.9°
C07	C06	N11	C10	0.2°	0.1°
C06	C07	S09	C10	1.0°	0.2°
C07	C06	C05	H5	179.9°	180.0°
C06	C07	C08	H6	179.6°	180.0°
S09	C07	C06	N11	0.9°	0.1°
C07	S09	C10	N11	1.0°	0.3°
C07	S09	C10	C12	177.9°	180.0°
S09	C07	C08	H6	0.3°	0.2°
C06	N11	C10	S09	0.6°	0.3°
C06	N11	C10	C12	178.2°	180.0°
N11	C06	C05	H5	0.7°	0.2°
N11	C10	S09	C12	178.9°	179.7°
N11	C10	C12	O13	2.6°	179.7°
N11	C10	C12	O14	175.8°	0.4°
S09	C10	C12	O13	176.0°	0.1°
S09	C10	C12	O14	2.8°	180.0°
C10	C12	O13	O14	172.8°	180.0°
C10	C12	O14	H7	173.2°	180.0°
O13	C12	O14	H7	0.0°	0.0°
H1	C01	H2	H3	120.0°	120.0°
H4	C04	C05	H5	0.0°	0.0°

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