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Summary Geometry Related PDB entries

T6R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C5	doub	1.39Å	1.40Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.37Å	1.39Å	Aromatic
C7	C8	doub	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.39Å	Aromatic
C8	C3	sing	1.41Å	1.40Å	Aromatic
C8	N	sing	1.38Å	1.39Å	Aromatic
C3	N1	sing	1.36Å	1.40Å	Aromatic
C1	N	sing	1.47Å	1.50Å
C1	C	sing	1.53Å	1.50Å
N	C2	sing	1.36Å	1.36Å	Aromatic
N1	C2	doub	1.30Å	1.31Å	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
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C6	C7	120.8°	120.5°
C6	C5	C4	121.0°	120.7°
C6	C5	H2	119.5°	119.6°
C5	C6	H3	119.6°	119.8°
C6	C7	C8	117.7°	119.7°
C7	C6	H3	119.6°	119.8°
C6	C7	H4	121.2°	120.2°
C5	C4	C3	118.6°	119.9°
C5	C4	H1	120.7°	120.0°
C4	C5	H2	119.5°	119.7°
C7	C8	C3	122.2°	119.8°
C7	C8	N	132.5°	134.2°
C8	C7	H4	121.1°	120.1°
C4	C3	C8	119.7°	119.5°
C4	C3	N1	130.2°	133.6°
C3	C4	H1	120.7°	120.1°
C3	C8	N	105.3°	106.0°
C8	C3	N1	110.1°	106.9°
C8	N	C1	126.1°	126.3°
C8	N	C2	106.2°	107.3°
C3	N1	C2	104.3°	109.6°
N	C1	C	112.7°	109.5°
C1	N	C2	127.6°	126.3°
N	C1	H8	108.7°	109.5°
N	C1	H9	108.7°	109.4°
C1	C	H5	109.5°	109.5°
C1	C	H6	109.5°	109.5°
C1	C	H7	109.5°	109.5°
C	C1	H8	108.7°	109.5°
C	C1	H9	108.6°	109.5°
N	C2	N1	114.0°	110.1°
N	C2	H10	123.0°	125.0°
N1	C2	H10	123.0°	124.9°
H5	C	H6	109.5°	109.5°
H5	C	H7	109.4°	109.5°
H6	C	H7	109.5°	109.4°
H8	C1	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C6	C7	H3	180.0°	179.9°
C6	C5	C4	H2	180.0°	179.9°
C5	C6	C7	C8	0.1°	0.1°
C6	C5	C4	C3	0.1°	0.0°
C6	C5	C4	H1	179.9°	180.0°
C5	C6	C7	H4	179.9°	180.0°
C7	C6	C5	C4	0.3°	0.1°
C6	C7	C8	H4	180.0°	179.9°
C6	C7	C8	C3	0.4°	0.1°
C6	C7	C8	N	179.9°	180.0°
C7	C6	C5	H2	179.7°	180.0°
C5	C4	C3	H1	180.0°	180.0°
C5	C4	C3	C8	0.3°	0.0°
C5	C4	C3	N1	179.5°	179.9°
C4	C5	C6	H3	179.6°	180.0°
C7	C8	C3	C4	0.6°	0.1°
C7	C8	C3	N	179.7°	179.9°
C7	C8	C3	N1	179.3°	179.9°
C7	C8	N	C1	4.5°	0.1°
C7	C8	N	C2	178.9°	179.9°
C8	C7	C6	H3	179.9°	180.0°
C4	C3	C8	N1	179.8°	180.0°
C4	C3	C8	N	179.8°	180.0°
C4	C3	N1	C2	179.8°	180.0°
C3	C4	C5	H2	179.9°	180.0°
C3	C8	N	C1	175.9°	179.9°
C3	C8	N	C2	0.7°	0.0°
C8	C3	N1	C2	0.0°	0.0°
C8	C3	C4	H1	179.7°	180.0°
C3	C8	C7	H4	179.6°	180.0°
N	C8	C3	N1	0.4°	0.0°
C8	N	C1	C2	175.9°	180.0°
C8	N	C1	C	106.2°	85.0°
C8	N	C2	N1	0.8°	0.0°
N	C8	C7	H4	0.1°	0.1°
C8	N	C1	H8	133.3°	155.0°
C8	N	C1	H9	14.3°	35.1°
C8	N	C2	H10	179.2°	180.0°
C3	N1	C2	N	0.5°	0.0°
N1	C3	C4	H1	0.5°	0.1°
C3	N1	C2	H10	179.5°	180.0°
N	C1	C	H8	120.5°	120.0°
N	C1	C	H9	120.5°	120.0°
C1	N	C2	N1	175.7°	179.9°
N	C1	C	H5	180.0°	180.0°
N	C1	C	H6	60.0°	60.0°
N	C1	C	H7	60.0°	60.0°
N	C1	H8	H9	118.5°	119.9°
C1	N	C2	H10	4.3°	0.1°
C	C1	N	C2	77.9°	95.1°
C1	C	H5	H6	120.0°	120.0°
C1	C	H5	H7	120.0°	120.1°
C1	C	H6	H7	120.0°	120.0°
C	C1	H8	H9	118.5°	120.1°
N	C2	N1	H10	180.0°	180.0°
C2	N	C1	H8	42.5°	24.9°
C2	N	C1	H9	161.6°	144.9°
H1	C4	C5	H2	0.1°	0.0°
H2	C5	C6	H3	0.4°	0.1°
H3	C6	C7	H4	0.1°	0.1°
H5	C	H6	H7	120.0°	120.0°
H5	C	C1	H8	59.5°	60.0°
H5	C	C1	H9	59.5°	60.0°
H6	C	C1	H8	179.5°	180.0°
H6	C	C1	H9	60.5°	60.0°
H7	C	C1	H8	60.5°	60.0°
H7	C	C1	H9	179.5°	179.9°

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PDB entries from 2024-09-11

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