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Summary Geometry Related PDB entries

UWD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.47Å
N2	N1	sing	1.29Å	1.39Å	Aromatic
N2	C3	doub	1.32Å	1.36Å	Aromatic
N1	C2	doub	1.31Å	1.37Å	Aromatic
C3	C4	sing	1.41Å	1.42Å	Aromatic
C3	N3	sing	1.37Å	1.42Å	Aromatic
N	C1	sing	1.47Å	1.49Å
C2	C1	sing	1.51Å	1.49Å
C2	N3	sing	1.36Å	1.38Å	Aromatic
C4	C5	doub	1.36Å	1.35Å	Aromatic
N3	C7	sing	1.36Å	1.38Å	Aromatic
C5	C6	sing	1.41Å	1.43Å	Aromatic
C7	C6	doub	1.35Å	1.37Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
N	H5	sing	1.01Å	1.00Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	113.4°	111.0°
C	N	H5	108.5°	111.0°
N	C	H7	109.5°	109.5°
N	C	H8	109.4°	109.5°
N	C	H9	109.5°	109.4°
N1	N2	C3	106.7°	109.4°
N2	N1	C2	110.1°	110.4°
N2	C3	C4	132.0°	133.5°
N2	C3	N3	108.5°	106.8°
N1	C2	C1	126.6°	126.3°
N1	C2	N3	107.5°	107.5°
C4	C3	N3	119.5°	119.7°
C3	C4	C5	118.5°	119.3°
C3	C4	H1	120.7°	120.4°
C3	N3	C2	107.2°	105.9°
C3	N3	C7	121.3°	120.5°
N	C1	C2	107.0°	109.5°
C1	N	H5	108.5°	111.0°
N	C1	H10	110.1°	109.5°
N	C1	H11	110.1°	109.5°
C1	C2	N3	125.9°	126.3°
C2	C1	H10	110.1°	109.5°
C2	C1	H11	110.1°	109.5°
C2	N3	C7	131.5°	133.6°
C4	C5	C6	120.9°	119.7°
C5	C4	H1	120.8°	120.4°
C4	C5	H2	119.6°	120.1°
N3	C7	C6	118.2°	120.4°
N3	C7	H4	120.9°	119.8°
C5	C6	C7	121.6°	120.4°
C6	C5	H2	119.6°	120.1°
C5	C6	H3	119.2°	119.8°
C7	C6	H3	119.2°	119.8°
C6	C7	H4	120.9°	119.8°
H7	C	H8	109.5°	109.4°
H7	C	H9	109.5°	109.5°
H8	C	H9	109.5°	109.5°
H10	C1	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	H5	120.6°	123.9°
C	N	C1	C2	70.0°	180.0°
N	C	H7	H8	120.0°	120.0°
N	C	H7	H9	120.0°	120.0°
N	C	H8	H9	120.0°	119.9°
C	N	C1	H10	49.6°	60.0°
C	N	C1	H11	170.3°	60.0°
N1	N2	C3	C4	178.5°	179.9°
N1	N2	C3	N3	0.1°	0.0°
N2	N1	C2	C1	178.9°	180.0°
N2	N1	C2	N3	0.6°	0.1°
C3	N2	N1	C2	0.5°	0.0°
N2	C3	C4	N3	178.5°	179.9°
N2	C3	N3	C2	0.3°	0.1°
N2	C3	C4	C5	178.0°	180.0°
N2	C3	N3	C7	179.1°	180.0°
N2	C3	C4	H1	1.9°	0.0°
N1	C2	N3	C3	0.5°	0.1°
N1	C2	C1	N	93.2°	90.1°
N1	C2	C1	N3	179.5°	179.9°
N1	C2	N3	C7	178.7°	180.0°
N1	C2	C1	H10	26.4°	30.0°
N1	C2	C1	H11	147.2°	149.9°
C4	C3	N3	C2	179.0°	180.0°
C3	C4	C5	H1	180.0°	180.0°
C4	C3	N3	C7	0.3°	0.1°
C3	C4	C5	C6	0.8°	0.0°
C3	C4	C5	H2	179.2°	179.9°
C3	N3	C2	C1	179.0°	180.0°
C3	N3	C2	C7	179.3°	179.9°
N3	C3	C4	C5	0.4°	0.1°
C3	N3	C7	C6	0.6°	0.0°
N3	C3	C4	H1	179.6°	179.9°
C3	N3	C7	H4	179.4°	180.0°
N	C1	C2	H10	119.6°	120.0°
N	C1	C2	H11	119.6°	120.0°
N	C1	C2	N3	86.3°	90.0°
C1	N	C	H7	180.0°	60.0°
C1	N	C	H8	60.0°	60.0°
C1	N	C	H9	60.0°	180.0°
N	C1	H10	H11	121.1°	120.0°
C1	C2	N3	C7	1.7°	0.1°
C2	C1	N	H5	169.4°	56.0°
C2	C1	H10	H11	121.2°	120.0°
C2	N3	C7	C6	178.6°	179.9°
C2	N3	C7	H4	1.4°	0.1°
N3	C2	C1	H10	154.1°	149.9°
N3	C2	C1	H11	33.3°	29.9°
C4	C5	C6	H2	180.0°	179.9°
C4	C5	C6	C7	0.6°	0.1°
C4	C5	C6	H3	179.4°	180.0°
N3	C7	C6	C5	0.1°	0.0°
N3	C7	C6	H4	180.0°	180.0°
N3	C7	C6	H3	179.8°	180.0°
C5	C6	C7	H3	180.0°	180.0°
C6	C5	C4	H1	179.2°	180.0°
C5	C6	C7	H4	179.9°	180.0°
C7	C6	C5	H2	179.4°	180.0°
H1	C4	C5	H2	0.8°	0.1°
H2	C5	C6	H3	0.6°	0.1°
H3	C6	C7	H4	0.2°	0.0°
H5	N	C	H7	59.4°	64.0°
H5	N	C	H8	60.6°	176.0°
H5	N	C	H9	179.5°	56.0°
H5	N	C1	H10	71.0°	176.1°
H5	N	C1	H11	49.7°	64.0°
H7	C	H8	H9	120.0°	120.1°

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PDB entries from 2024-07-17

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