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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C7	doub	1.22Å	1.22Å
N1	C7	sing	1.35Å	1.40Å
N1	C6	sing	1.35Å	1.40Å
C7	N	sing	1.35Å	1.42Å
O2	C6	doub	1.22Å	1.19Å
C6	C5	sing	1.42Å	1.43Å
N	C3	sing	1.46Å	1.44Å
N	C4	sing	1.37Å	1.36Å
C5	C4	doub	1.35Å	1.32Å
C3	C2	sing	1.53Å	1.56Å
O1	C1	doub	1.21Å	1.22Å
C1	C2	sing	1.51Å	1.52Å
C1	O	sing	1.34Å	1.36Å
C	O	sing	1.45Å	1.41Å
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C7	N1	121.8°	119.5°
O3	C7	N	121.6°	119.6°
C7	N1	C6	122.1°	120.3°
N1	C7	N	116.6°	120.9°
C7	N1	H1	119.0°	119.9°
N1	C6	O2	119.4°	120.3°
N1	C6	C5	116.7°	119.3°
C6	N1	H1	119.0°	119.9°
C7	N	C3	119.8°	119.7°
C7	N	C4	121.9°	120.6°
O2	C6	C5	123.9°	120.3°
C6	C5	C4	121.9°	119.2°
C6	C5	H2	119.1°	120.4°
C3	N	C4	118.3°	119.7°
N	C3	C2	113.5°	109.5°
N	C3	H4	108.5°	109.5°
N	C3	H5	108.5°	109.5°
N	C4	C5	121.0°	119.7°
N	C4	H3	119.5°	120.2°
C4	C5	H2	119.0°	120.4°
C5	C4	H3	119.5°	120.2°
C3	C2	C1	112.8°	109.5°
C2	C3	H4	108.4°	109.4°
C2	C3	H5	108.5°	109.5°
C3	C2	H6	108.6°	109.5°
C3	C2	H7	108.6°	109.5°
O1	C1	C2	123.8°	120.0°
O1	C1	O	114.4°	120.0°
C2	C1	O	121.8°	120.0°
C1	C2	H6	108.7°	109.5°
C1	C2	H7	108.7°	109.4°
C1	O	C	123.0°	117.0°
O	C	H8	109.5°	109.5°
O	C	H9	109.5°	109.4°
O	C	H10	109.4°	109.5°
H4	C3	H5	109.5°	109.4°
H6	C2	H7	109.5°	109.5°
H8	C	H9	109.5°	109.4°
H8	C	H10	109.5°	109.5°
H9	C	H10	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C7	N1	N	179.7°	179.9°
O3	C7	N1	C6	179.5°	179.9°
O3	C7	N	C3	0.5°	0.0°
O3	C7	N	C4	179.8°	180.0°
O3	C7	N1	H1	0.5°	0.2°
C7	N1	C6	H1	180.0°	179.7°
C7	N1	C6	O2	179.2°	180.0°
C7	N1	C6	C5	0.4°	0.0°
N1	C7	N	C3	179.2°	180.0°
N1	C7	N	C4	0.2°	0.0°
C6	N1	C7	N	0.2°	0.0°
N1	C6	O2	C5	179.6°	180.0°
N1	C6	C5	C4	0.4°	0.0°
N1	C6	C5	H2	179.6°	180.0°
C7	N	C3	C4	179.4°	180.0°
C7	N	C4	C5	0.2°	0.0°
C7	N	C3	C2	167.8°	90.0°
N	C7	N1	H1	179.8°	179.7°
C7	N	C4	H3	179.8°	179.9°
C7	N	C3	H4	71.6°	30.0°
C7	N	C3	H5	47.1°	150.0°
O2	C6	C5	C4	179.2°	180.0°
O2	C6	N1	H1	0.8°	0.3°
O2	C6	C5	H2	0.8°	0.0°
C6	C5	C4	N	0.1°	0.0°
C6	C5	C4	H2	180.0°	180.0°
C5	C6	N1	H1	179.6°	179.7°
C6	C5	C4	H3	180.0°	179.9°
C3	N	C4	C5	179.1°	180.0°
N	C3	C2	H4	120.6°	120.0°
N	C3	C2	H5	120.6°	120.0°
N	C3	C2	C1	101.4°	180.0°
C3	N	C4	H3	0.9°	0.1°
N	C3	H4	H5	118.2°	120.0°
N	C3	C2	H6	138.1°	60.0°
N	C3	C2	H7	19.0°	60.0°
N	C4	C5	H3	180.0°	179.9°
C4	N	C3	C2	12.9°	90.0°
N	C4	C5	H2	180.0°	180.0°
C4	N	C3	H4	107.7°	150.0°
C4	N	C3	H5	133.5°	30.0°
C3	C2	C1	O1	41.9°	0.0°
C3	C2	C1	H6	120.5°	120.0°
C3	C2	C1	H7	120.5°	120.0°
C3	C2	C1	O	139.5°	180.0°
C2	C3	H4	H5	118.1°	120.0°
C3	C2	H6	H7	118.5°	120.0°
O1	C1	C2	O	178.6°	180.0°
O1	C1	O	C	1.2°	0.0°
O1	C1	C2	H6	78.6°	120.0°
O1	C1	C2	H7	162.4°	120.1°
C2	C1	O	C	179.9°	180.0°
C1	C2	C3	H4	19.2°	60.0°
C1	C2	C3	H5	137.9°	60.0°
C1	C2	H6	H7	118.5°	119.9°
O	C1	C2	H6	100.0°	60.0°
O	C1	C2	H7	19.1°	60.0°
C1	O	C	H8	180.0°	59.9°
C1	O	C	H9	60.0°	60.0°
C1	O	C	H10	60.0°	179.9°
O	C	H8	H9	120.0°	119.9°
O	C	H8	H10	120.0°	120.1°
O	C	H9	H10	120.0°	120.0°
H2	C5	C4	H3	0.0°	0.1°
H4	C3	C2	H6	101.3°	180.0°
H4	C3	C2	H7	139.6°	60.0°
H5	C3	C2	H6	17.4°	60.0°
H5	C3	C2	H7	101.6°	180.0°
H8	C	H9	H10	120.0°	120.0°

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PDB entries from 2024-08-07

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