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Summary Geometry Related PDB entries

WHY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	N	sing	1.47Å	1.51Å
C1	N	sing	1.47Å	1.51Å
N	C2	sing	1.47Å	1.50Å
C2	C3	sing	1.51Å	1.51Å
C3	C4	sing	1.38Å	1.40Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.40Å	1.41Å	Aromatic
C6	C7	sing	1.43Å	1.45Å
C7	N1	trip	1.14Å	1.17Å
C8	C6	doub	1.40Å	1.40Å	Aromatic
C9	C8	sing	1.38Å	1.41Å	Aromatic
C3	C9	doub	1.38Å	1.41Å	Aromatic
C4	H8	sing	1.08Å	1.08Å
C5	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C	H1	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C9	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	N	C1	112.1°	111.0°
C	N	C2	108.8°	111.0°
N	C	H1	109.5°	109.4°
N	C	H2	109.5°	109.4°
N	C	H	109.5°	109.5°
C1	N	C2	115.0°	111.0°
N	C1	H4	109.5°	109.4°
N	C1	H3	109.5°	109.4°
N	C1	H5	109.4°	109.5°
N	C2	C3	114.3°	109.4°
N	C2	H7	108.2°	109.4°
N	C2	H6	108.2°	109.5°
C2	C3	C4	117.9°	119.9°
C2	C3	C9	121.7°	119.9°
C3	C2	H7	108.3°	109.5°
C3	C2	H6	108.3°	109.5°
C3	C4	C5	120.0°	120.2°
C4	C3	C9	120.3°	120.2°
C3	C4	H8	120.0°	119.9°
C4	C5	C6	120.5°	119.8°
C5	C4	H8	120.0°	119.9°
C4	C5	H9	119.8°	120.1°
C5	C6	C7	119.1°	120.1°
C5	C6	C8	120.2°	119.7°
C6	C5	H9	119.8°	120.1°
C6	C7	N1	174.9°	180.0°
C7	C6	C8	120.5°	120.1°
C6	C8	C9	119.3°	119.9°
C6	C8	H10	120.4°	120.1°
C8	C9	C3	119.7°	120.2°
C9	C8	H10	120.4°	120.0°
C8	C9	H11	120.2°	120.0°
C3	C9	H11	120.2°	119.9°
H1	C	H2	109.5°	109.4°
H1	C	H	109.4°	109.5°
H2	C	H	109.5°	109.5°
H4	C1	H3	109.4°	109.5°
H4	C1	H5	109.5°	109.5°
H3	C1	H5	109.5°	109.5°
H7	C2	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	N	C1	C2	125.0°	123.9°
C	N	C2	C3	159.9°	170.0°
N	C	H1	H2	120.0°	119.9°
N	C	H1	H	120.0°	120.0°
N	C	H2	H	120.0°	120.0°
C	N	C1	H4	180.0°	176.1°
C	N	C1	H3	60.0°	56.0°
C	N	C1	H5	60.0°	64.0°
C	N	C2	H7	79.4°	70.1°
C	N	C2	H6	39.2°	50.0°
C1	N	C2	C3	33.1°	66.0°
C1	N	C	H1	180.0°	63.9°
C1	N	C	H2	60.0°	56.0°
C1	N	C	H	60.0°	176.0°
N	C1	H4	H3	120.0°	120.0°
N	C1	H4	H5	120.0°	120.0°
N	C1	H3	H5	120.0°	120.0°
C1	N	C2	H7	153.9°	53.9°
C1	N	C2	H6	87.6°	174.0°
N	C2	C3	H7	120.7°	119.9°
N	C2	C3	H6	120.7°	120.0°
N	C2	C3	C4	115.8°	90.0°
N	C2	C3	C9	67.6°	89.5°
C2	N	C	H1	51.7°	60.1°
C2	N	C	H2	171.6°	180.0°
C2	N	C	H	68.3°	60.0°
C2	N	C1	H4	55.0°	60.0°
C2	N	C1	H3	65.0°	180.0°
C2	N	C1	H5	175.0°	60.0°
N	C2	H7	H6	117.8°	120.0°
C2	C3	C4	C9	176.6°	179.5°
C2	C3	C4	C5	175.4°	180.0°
C2	C3	C9	C8	175.1°	180.0°
C2	C3	C4	H8	4.5°	0.3°
C3	C2	H7	H6	117.8°	120.1°
C2	C3	C9	H11	4.9°	0.1°
C3	C4	C5	H8	180.0°	179.7°
C3	C4	C5	C6	0.3°	0.3°
C4	C3	C9	C8	1.4°	0.5°
C3	C4	C5	H9	179.7°	179.8°
C4	C3	C2	H7	123.5°	29.9°
C4	C3	C2	H6	4.9°	150.0°
C4	C3	C9	H11	178.6°	179.4°
C4	C5	C6	H9	180.0°	179.9°
C4	C5	C6	C7	174.4°	180.0°
C4	C5	C6	C8	1.6°	0.1°
C5	C4	C3	C9	1.2°	0.5°
C5	C6	C7	C8	176.0°	179.9°
C5	C6	C7	N1	13.8°	90.9°
C5	C6	C8	C9	1.4°	0.0°
C6	C5	C4	H8	179.7°	180.0°
C5	C6	C8	H10	178.6°	180.0°
C7	C6	C8	C9	174.6°	180.0°
C7	C6	C5	H9	5.6°	0.1°
C7	C6	C8	H10	5.4°	0.1°
N1	C7	C6	C8	162.3°	89.0°
C6	C8	C9	H10	180.0°	179.9°
C6	C8	C9	C3	0.1°	0.3°
C8	C6	C5	H9	178.4°	180.0°
C6	C8	C9	H11	179.9°	179.7°
C8	C9	C3	H11	180.0°	179.9°
C9	C3	C4	H8	178.8°	179.8°
C3	C9	C8	H10	179.9°	179.8°
C9	C3	C2	H7	53.1°	150.6°
C9	C3	C2	H6	171.7°	30.5°
H8	C4	C5	H9	0.3°	0.1°
H10	C8	C9	H11	0.1°	0.3°
H1	C	H2	H	120.0°	120.1°
H4	C1	H3	H5	120.0°	120.1°

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