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Summary Geometry Related PDB entries

O0G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C5	sing	1.74Å	1.61Å
C5	C6	doub	1.39Å	1.23Å	Aromatic
C5	C4	sing	1.38Å	1.32Å	Aromatic
C6	C7	sing	1.38Å	1.34Å	Aromatic
C4	N1	doub	1.32Å	1.24Å	Aromatic
C7	F	sing	1.35Å	1.14Å
C7	C3	doub	1.39Å	1.40Å	Aromatic
N1	C3	sing	1.32Å	1.35Å	Aromatic
C3	N	sing	1.39Å	1.27Å
N	C1	sing	1.47Å	1.46Å
C1	C	sing	1.53Å	1.40Å
C1	C2	sing	1.53Å	1.52Å
O	C2	sing	1.43Å	1.42Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
N	H3	sing	0.97Å	1.00Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
O	H7	sing	0.97Å	0.95Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C5	C6	121.1°	120.3°
CL	C5	C4	116.2°	120.4°
C6	C5	C4	122.0°	119.3°
C5	C6	C7	120.6°	118.5°
C5	C6	H2	119.7°	120.8°
C5	C4	N1	122.5°	120.9°
C5	C4	H1	118.7°	119.5°
C6	C7	F	117.3°	120.4°
C6	C7	C3	117.4°	119.1°
C7	C6	H2	119.7°	120.8°
C4	N1	C3	119.8°	121.7°
N1	C4	H1	118.8°	119.6°
F	C7	C3	125.3°	120.5°
C7	C3	N1	117.4°	120.6°
C7	C3	N	123.6°	119.7°
N1	C3	N	119.0°	119.7°
C3	N	C1	118.1°	120.0°
C3	N	H3	107.3°	120.0°
N	C1	C	102.6°	109.4°
N	C1	C2	112.2°	109.5°
C1	N	H3	107.3°	120.0°
N	C1	H8	109.6°	109.5°
C	C1	C2	113.0°	109.4°
C1	C	H4	109.5°	109.5°
C1	C	H5	109.4°	109.5°
C1	C	H6	109.4°	109.4°
C	C1	H8	110.5°	109.5°
C1	C2	O	111.2°	109.5°
C2	C1	H8	108.8°	109.5°
C1	C2	H9	109.0°	109.5°
C1	C2	H10	109.0°	109.4°
C2	O	H7	109.5°	114.0°
O	C2	H9	109.0°	109.5°
O	C2	H10	109.0°	109.4°
H4	C	H5	109.5°	109.5°
H4	C	H6	109.5°	109.5°
H5	C	H6	109.5°	109.5°
H9	C2	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C5	C6	C4	170.7°	180.0°
CL	C5	C6	C7	166.6°	180.0°
CL	C5	C4	N1	165.0°	180.0°
CL	C5	C4	H1	15.0°	0.0°
CL	C5	C6	H2	13.4°	0.0°
C5	C6	C7	H2	180.0°	179.9°
C6	C5	C4	N1	6.1°	0.0°
C5	C6	C7	F	179.5°	180.0°
C5	C6	C7	C3	0.9°	0.0°
C6	C5	C4	H1	173.9°	180.0°
C4	C5	C6	C7	4.0°	0.0°
C5	C4	N1	H1	180.0°	179.9°
C5	C4	N1	C3	2.7°	0.1°
C4	C5	C6	H2	176.0°	179.9°
C6	C7	F	C3	178.5°	180.0°
C6	C7	C3	N1	4.0°	0.0°
C6	C7	C3	N	172.5°	179.9°
C4	N1	C3	C7	2.2°	0.0°
C4	N1	C3	N	174.4°	180.0°
F	C7	C3	N1	177.5°	180.0°
F	C7	C3	N	6.0°	0.0°
F	C7	C6	H2	0.5°	0.1°
C7	C3	N1	N	176.7°	180.0°
C7	C3	N	C1	175.8°	180.0°
C3	C7	C6	H2	179.1°	180.0°
C7	C3	N	H3	63.0°	0.1°
N1	C3	N	C1	0.7°	0.0°
C3	N1	C4	H1	177.4°	180.0°
N1	C3	N	H3	120.6°	180.0°
C3	N	C1	H3	121.2°	179.9°
C3	N	C1	C	69.6°	85.0°
C3	N	C1	C2	168.8°	155.1°
C3	N	C1	H8	47.7°	35.0°
N	C1	C	C2	121.0°	120.0°
N	C1	C	H8	116.8°	120.0°
N	C1	C2	H8	121.5°	120.1°
N	C1	C2	O	69.3°	65.0°
N	C1	C	H4	180.0°	60.0°
N	C1	C	H5	60.0°	60.0°
N	C1	C	H6	60.0°	180.0°
N	C1	C2	H9	170.4°	175.0°
N	C1	C2	H10	50.9°	55.0°
C	C1	C2	H8	123.1°	120.0°
C	C1	C2	O	175.3°	55.0°
C	C1	N	H3	51.6°	94.9°
C1	C	H4	H5	120.0°	120.0°
C1	C	H4	H6	120.0°	120.0°
C1	C	H5	H6	120.0°	119.9°
C	C1	C2	H9	55.0°	65.0°
C	C1	C2	H10	64.4°	175.0°
C1	C2	O	H9	120.2°	120.0°
C1	C2	O	H10	120.3°	120.0°
C2	C1	N	H3	70.0°	25.0°
C2	C1	C	H4	59.0°	180.0°
C2	C1	C	H5	179.0°	60.0°
C2	C1	C	H6	61.0°	60.0°
C1	C2	O	H7	180.0°	180.0°
C1	C2	H9	H10	119.2°	120.0°
O	C2	C1	H8	52.2°	175.0°
O	C2	H9	H10	119.2°	120.0°
H3	N	C1	H8	169.0°	145.0°
H4	C	H5	H6	120.0°	120.0°
H4	C	C1	H8	63.2°	60.0°
H5	C	C1	H8	56.8°	179.9°
H6	C	C1	H8	176.8°	60.0°
H7	O	C2	H9	59.8°	60.0°
H7	O	C2	H10	59.7°	60.0°
H8	C1	C2	H9	68.1°	54.9°
H8	C1	C2	H10	172.4°	65.1°

223532

PDB entries from 2024-08-07

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