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Summary Geometry Related PDB entries

GB4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C11	doub	1.23Å	1.22Å
C11	C10	sing	1.49Å	1.48Å
C11	N13	sing	1.37Å	1.34Å
N13	O14	sing	1.40Å	1.41Å
N13	HN13	sing	1.01Å	1.00Å
O14	HO14	sing	0.97Å	0.95Å
C10	C9	doub	1.35Å	1.34Å
C10	H10	sing	1.08Å	1.08Å
C9	C1	sing	1.46Å	1.49Å
C9	H9	sing	1.09Å	1.08Å
C1	C6	sing	1.40Å	1.39Å	Aromatic
C1	C2	doub	1.39Å	1.40Å	Aromatic
C6	CL8	sing	1.73Å	1.78Å
C6	C5	doub	1.39Å	1.38Å	Aromatic
C5	C4	sing	1.39Å	1.37Å	Aromatic
C5	H5	sing	1.09Å	1.08Å
C2	C3	sing	1.39Å	1.40Å	Aromatic
C2	H2	sing	1.09Å	1.08Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C4	CL7	sing	1.72Å	1.78Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C11	C10	119.9°	122.9°
O12	C11	N13	118.9°	125.5°
C10	C11	N13	120.6°	111.6°
C11	C10	C9	117.9°	120.4°
C11	C10	H10	121.0°	117.9°
C11	N13	O14	120.4°	115.8°
C11	N13	HN13	119.8°	122.1°
O14	N13	HN13	119.8°	122.1°
N13	O14	HO14	109.5°	100.2°
C9	C10	H10	121.1°	121.7°
C10	C9	C1	125.6°	125.1°
C10	C9	H9	117.2°	119.0°
C1	C9	H9	117.2°	115.9°
C9	C1	C6	118.2°	122.2°
C9	C1	C2	123.7°	117.8°
C6	C1	C2	118.0°	120.0°
C1	C6	CL8	122.1°	121.9°
C1	C6	C5	122.5°	120.0°
C1	C2	C3	119.6°	120.0°
C1	C2	H2	120.2°	121.0°
CL8	C6	C5	115.4°	118.2°
C6	C5	C4	119.4°	120.0°
C6	C5	H5	120.3°	120.1°
C4	C5	H5	120.3°	119.9°
C5	C4	C3	120.1°	120.0°
C5	C4	CL7	117.7°	120.0°
C3	C2	H2	120.2°	119.0°
C2	C3	C4	120.4°	120.0°
C2	C3	H3	119.8°	119.2°
C4	C3	H3	119.8°	120.7°
C3	C4	CL7	122.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C11	C10	N13	171.4°	179.7°
O12	C11	N13	O14	7.3°	0.0°
O12	C11	N13	HN13	172.7°	180.0°
O12	C11	C10	C9	5.5°	1.1°
O12	C11	C10	H10	174.4°	179.7°
C10	C11	N13	O14	164.2°	179.7°
C10	C11	N13	HN13	15.8°	0.3°
C11	C10	C9	H10	180.0°	179.2°
C11	C10	C9	C1	175.9°	179.4°
C11	C10	C9	H9	4.1°	0.7°
C11	N13	O14	HN13	180.0°	180.0°
C11	N13	O14	HO14	7.6°	95.9°
N13	C11	C10	C9	165.9°	179.3°
N13	C11	C10	H10	14.1°	0.0°
HN13	N13	O14	HO14	172.4°	84.1°
C10	C9	C1	H9	180.0°	178.8°
C10	C9	C1	C6	171.8°	91.3°
C10	C9	C1	C2	4.7°	88.8°
H10	C10	C9	C1	4.2°	0.3°
H10	C10	C9	H9	175.9°	178.5°
C9	C1	C6	C2	176.7°	179.9°
C9	C1	C6	CL8	3.3°	0.0°
C9	C1	C6	C5	178.6°	179.9°
C9	C1	C2	C3	178.0°	179.9°
C9	C1	C2	H2	2.0°	0.0°
H9	C9	C1	C6	8.2°	89.9°
H9	C9	C1	C2	175.3°	90.0°
C1	C6	CL8	C5	178.2°	179.9°
C1	C6	C5	C4	1.1°	0.0°
C1	C6	C5	H5	178.9°	180.0°
C6	C1	C2	C3	1.5°	0.0°
C6	C1	C2	H2	178.5°	179.9°
C2	C1	C6	CL8	180.0°	179.9°
C2	C1	C6	C5	1.9°	0.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.4°	0.0°
C1	C2	C3	H3	179.6°	179.8°
CL8	C6	C5	C4	179.3°	179.9°
CL8	C6	C5	H5	0.6°	0.2°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	0.1°	0.0°
C6	C5	C4	CL7	179.6°	179.8°
C5	C4	C3	C2	0.4°	0.0°
C5	C4	C3	CL7	179.5°	179.8°
C5	C4	C3	H3	179.6°	179.8°
H5	C5	C4	C3	179.9°	180.0°
H5	C5	C4	CL7	0.4°	0.2°
C2	C3	C4	H3	180.0°	179.8°
C2	C3	C4	CL7	179.9°	179.8°
H2	C2	C3	C4	179.6°	180.0°
H2	C2	C3	H3	0.4°	0.2°
H3	C3	C4	CL7	0.1°	0.0°

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