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Summary Geometry Related PDB entries

VP3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C2	sing	1.35Å	1.29Å
C2	C3	doub	1.39Å	1.37Å	Aromatic
C2	C1	sing	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.36Å	Aromatic
C1	C	doub	1.38Å	1.36Å	Aromatic
C4	C5	doub	1.40Å	1.40Å	Aromatic
C	C5	sing	1.40Å	1.37Å	Aromatic
C5	C6	sing	1.47Å	1.49Å
O2	C9	doub	1.21Å	1.22Å
C6	O	doub	1.21Å	1.18Å
C6	C7	sing	1.51Å	1.46Å
C7	C8	sing	1.53Å	1.50Å
C9	O1	sing	1.34Å	1.21Å
C9	C8	sing	1.51Å	1.55Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
O1	H5	sing	0.97Å	0.95Å
C1	H6	sing	1.08Å	1.08Å
C4	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C2	C3	119.4°	119.8°
F	C2	C1	118.4°	119.9°
C3	C2	C1	122.2°	120.3°
C2	C3	C4	117.2°	120.2°
C2	C3	H8	121.4°	119.9°
C2	C1	C	119.8°	120.1°
C2	C1	H6	120.1°	119.9°
C3	C4	C5	121.3°	119.8°
C3	C4	H7	119.3°	120.1°
C4	C3	H8	121.4°	119.9°
C1	C	C5	119.3°	119.9°
C	C1	H6	120.1°	120.0°
C1	C	H9	120.3°	120.1°
C4	C5	C	120.1°	119.7°
C4	C5	C6	120.6°	120.1°
C5	C4	H7	119.4°	120.1°
C	C5	C6	119.3°	120.2°
C5	C	H9	120.3°	120.0°
C5	C6	O	120.2°	120.0°
C5	C6	C7	118.7°	120.0°
O2	C9	O1	123.3°	120.0°
O2	C9	C8	119.8°	120.0°
O	C6	C7	121.1°	120.0°
C6	C7	C8	112.5°	109.5°
C6	C7	H1	108.7°	109.5°
C6	C7	H2	108.7°	109.4°
C7	C8	C9	111.9°	109.5°
C8	C7	H1	108.7°	109.5°
C8	C7	H2	108.7°	109.4°
C7	C8	H3	108.8°	109.4°
C7	C8	H4	108.8°	109.5°
O1	C9	C8	116.9°	120.0°
C9	O1	H5	109.5°	117.0°
C9	C8	H3	108.9°	109.5°
C9	C8	H4	108.9°	109.5°
H1	C7	H2	109.5°	109.4°
H3	C8	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C2	C3	C1	179.8°	180.0°
F	C2	C3	C4	179.6°	179.5°
F	C2	C1	C	179.2°	180.0°
F	C2	C1	H6	0.8°	0.3°
F	C2	C3	H8	0.5°	0.2°
C2	C3	C4	H8	180.0°	179.3°
C3	C2	C1	C	0.6°	0.0°
C2	C3	C4	C5	1.0°	0.8°
C3	C2	C1	H6	179.4°	179.8°
C2	C3	C4	H7	179.0°	179.8°
C1	C2	C3	C4	0.3°	0.5°
C2	C1	C	H6	180.0°	179.7°
C2	C1	C	C5	0.3°	0.3°
C1	C2	C3	H8	179.7°	179.8°
C2	C1	C	H9	179.7°	179.7°
C3	C4	C5	H7	180.0°	179.4°
C3	C4	C5	C	1.9°	0.5°
C3	C4	C5	C6	175.6°	179.5°
C1	C	C5	C4	1.5°	0.0°
C1	C	C5	H9	180.0°	180.0°
C1	C	C5	C6	176.0°	180.0°
C4	C5	C	C6	177.5°	180.0°
C4	C5	C6	O	0.8°	0.1°
C4	C5	C6	C7	179.1°	180.0°
C5	C4	C3	H8	179.1°	180.0°
C4	C5	C	H9	178.5°	180.0°
C	C5	C6	O	178.3°	179.9°
C	C5	C6	C7	1.6°	0.0°
C5	C	C1	H6	179.7°	180.0°
C	C5	C4	H7	178.1°	179.9°
C5	C6	O	C7	179.9°	179.9°
C5	C6	C7	C8	176.5°	180.0°
C5	C6	C7	H1	63.0°	59.9°
C5	C6	C7	H2	56.1°	60.0°
C6	C5	C4	H7	4.4°	0.1°
C6	C5	C	H9	4.0°	0.0°
O2	C9	C8	C7	34.7°	0.0°
O2	C9	O1	C8	179.0°	180.0°
O2	C9	C8	H3	85.6°	120.0°
O2	C9	C8	H4	155.0°	120.0°
O2	C9	O1	H5	0.0°	0.1°
O	C6	C7	C8	3.4°	0.1°
O	C6	C7	H1	117.1°	120.0°
O	C6	C7	H2	123.9°	120.1°
C6	C7	C8	H1	120.5°	120.1°
C6	C7	C8	H2	120.4°	120.0°
C6	C7	C8	C9	66.3°	180.0°
C6	C7	H1	H2	118.6°	120.0°
C6	C7	C8	H3	173.4°	60.1°
C6	C7	C8	H4	54.1°	60.0°
C7	C8	C9	O1	146.2°	180.0°
C7	C8	C9	H3	120.3°	120.0°
C7	C8	C9	H4	120.3°	120.0°
C8	C7	H1	H2	118.6°	120.0°
C7	C8	H3	H4	118.8°	120.0°
O1	C9	C8	H3	93.4°	60.0°
O1	C9	C8	H4	25.9°	60.0°
C9	C8	C7	H1	54.2°	60.0°
C9	C8	C7	H2	173.3°	60.0°
C9	C8	H3	H4	118.9°	120.0°
C8	C9	O1	H5	179.0°	180.0°
H1	C7	C8	H3	66.2°	60.0°
H1	C7	C8	H4	174.6°	180.0°
H2	C7	C8	H3	52.9°	180.0°
H2	C7	C8	H4	66.3°	60.0°
H6	C1	C	H9	0.3°	0.0°
H7	C4	C3	H8	0.9°	0.5°

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