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Summary Geometry Related PDB entries

BH6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	B	sing	1.57Å	1.60Å
O2	B	sing	1.42Å	1.53Å
B	O1	sing	1.42Å	1.55Å
C14	CL	sing	1.74Å	1.82Å
O1	HO1	sing	0.97Å	0.95Å
O2	HO2	sing	0.97Å	0.95Å
N4	C3	sing	1.46Å	1.45Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
N4	C5	sing	1.35Å	1.33Å
N4	HN4	sing	0.97Å	1.00Å
C7	C5	sing	1.48Å	1.49Å
C5	O6	doub	1.22Å	1.22Å
C8	C7	doub	1.40Å	1.39Å	Aromatic
C7	C14	sing	1.40Å	1.40Å	Aromatic
C11	C8	sing	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C11	C12	doub	1.38Å	1.40Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C12	C13	sing	1.38Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	C14	doub	1.38Å	1.40Å	Aromatic
C13	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	B	O2	104.7°	120.0°
C3	B	O1	110.6°	120.0°
B	C3	N4	112.4°	109.5°
B	C3	H3	108.5°	109.5°
B	C3	H3A	107.9°	109.5°
O2	B	O1	111.3°	120.0°
B	O2	HO2	109.5°	114.0°
B	O1	HO1	109.5°	114.0°
CL	C14	C7	121.8°	120.0°
CL	C14	C13	118.6°	120.1°
N4	C3	H3	108.5°	109.4°
N4	C3	H3A	107.9°	109.5°
C3	N4	C5	125.6°	120.1°
C3	N4	HN4	117.2°	120.0°
H3	C3	H3A	111.8°	109.4°
C5	N4	HN4	117.2°	120.0°
N4	C5	C7	119.9°	120.0°
N4	C5	O6	121.5°	120.0°
C7	C5	O6	118.5°	120.0°
C5	C7	C8	117.4°	120.2°
C5	C7	C14	121.6°	120.2°
C8	C7	C14	120.9°	119.6°
C7	C8	C11	119.1°	119.9°
C7	C8	H8	120.4°	120.1°
C7	C14	C13	119.6°	119.8°
C11	C8	H8	120.4°	120.0°
C8	C11	C12	120.2°	120.2°
C8	C11	H11	119.9°	119.9°
C12	C11	H11	119.9°	119.9°
C11	C12	C13	120.5°	120.3°
C11	C12	H12	119.7°	119.9°
C13	C12	H12	119.7°	119.8°
C12	C13	C14	119.6°	120.1°
C12	C13	H13	120.2°	120.0°
C14	C13	H13	120.2°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	B	O2	O1	119.5°	179.7°
C3	B	O1	HO1	158.3°	179.7°
C3	B	O2	HO2	154.2°	0.3°
B	C3	N4	H3	120.0°	120.0°
B	C3	N4	H3A	118.8°	120.1°
B	C3	H3	H3A	118.8°	120.0°
B	C3	N4	C5	79.5°	95.0°
B	C3	N4	HN4	100.6°	85.0°
O2	B	O1	HO1	85.8°	0.0°
O2	B	C3	N4	62.7°	59.7°
O2	B	C3	H3	177.3°	179.7°
O2	B	C3	H3A	56.1°	60.3°
O1	B	O2	HO2	34.7°	180.0°
O1	B	C3	N4	57.3°	120.0°
O1	B	C3	H3	62.7°	0.0°
O1	B	C3	H3A	176.0°	120.0°
CL	C14	C7	C5	2.4°	0.0°
CL	C14	C7	C8	178.9°	179.7°
CL	C14	C7	C13	179.9°	179.7°
CL	C14	C13	C12	179.3°	179.7°
CL	C14	C13	H13	0.7°	0.0°
N4	C3	H3	H3A	118.8°	120.0°
C3	N4	C5	HN4	180.0°	180.0°
C3	N4	C5	C7	177.5°	180.0°
C3	N4	C5	O6	0.6°	0.0°
H3	C3	N4	C5	40.5°	25.0°
H3	C3	N4	HN4	139.4°	155.0°
H3A	C3	N4	C5	161.8°	144.9°
H3A	C3	N4	HN4	18.2°	35.1°
N4	C5	C7	O6	177.1°	180.0°
N4	C5	C7	C8	29.8°	0.2°
N4	C5	C7	C14	153.5°	180.0°
HN4	N4	C5	C7	2.4°	0.0°
HN4	N4	C5	O6	179.4°	180.0°
C5	C7	C8	C14	176.7°	179.7°
C5	C7	C8	C11	177.8°	180.0°
C5	C7	C8	H8	2.2°	0.1°
C5	C7	C14	C13	177.8°	179.7°
O6	C5	C7	C8	147.3°	179.7°
O6	C5	C7	C14	29.4°	0.0°
C7	C8	C11	H8	180.0°	179.9°
C7	C8	C11	C12	0.7°	0.0°
C7	C8	C11	H11	179.3°	180.0°
C8	C7	C14	C13	1.2°	0.5°
C14	C7	C8	C11	1.1°	0.3°
C14	C7	C8	H8	178.9°	179.8°
C7	C14	C13	C12	0.8°	0.5°
C7	C14	C13	H13	179.2°	179.7°
C8	C11	C12	H11	180.0°	180.0°
C8	C11	C12	C13	0.3°	0.0°
C8	C11	C12	H12	179.7°	180.0°
H8	C8	C11	C12	179.4°	179.9°
H8	C8	C11	H11	0.7°	0.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.4°	0.3°
C11	C12	C13	H13	179.7°	180.0°
H11	C11	C12	C13	179.7°	179.9°
H11	C11	C12	H12	0.3°	0.0°
C12	C13	C14	H13	180.0°	179.7°
H12	C12	C13	C14	179.6°	179.7°
H12	C12	C13	H13	0.3°	0.0°

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