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Summary Geometry Related PDB entries

T9V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.39Å	1.38Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
O1	C5	sing	1.36Å	1.37Å
O1	C8	sing	1.43Å	1.43Å
C5	C6	doub	1.39Å	1.38Å	Aromatic
C2	N	sing	1.40Å	1.41Å
C2	C7	doub	1.39Å	1.39Å	Aromatic
O	C1	doub	1.21Å	1.23Å
N	C1	sing	1.35Å	1.35Å
C1	C	sing	1.51Å	1.50Å
C6	C7	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
N	H10	sing	0.97Å	1.00Å
C3	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	119.9°	120.0°
C4	C3	C2	120.3°	120.0°
C3	C4	H1	120.0°	120.0°
C4	C3	H11	119.9°	120.0°
C4	C5	O1	120.9°	120.0°
C4	C5	C6	120.1°	120.0°
C5	C4	H1	120.1°	120.0°
C3	C2	N	122.5°	120.0°
C3	C2	C7	119.3°	120.0°
C2	C3	H11	119.8°	120.0°
C5	O1	C8	118.0°	117.0°
O1	C5	C6	119.0°	120.0°
O1	C8	H4	109.5°	109.5°
O1	C8	H5	109.4°	109.5°
O1	C8	H6	109.5°	109.5°
C5	C6	C7	119.9°	120.1°
C5	C6	H2	120.0°	120.0°
N	C2	C7	118.2°	120.0°
C2	N	C1	127.8°	120.1°
C2	N	H10	116.1°	120.0°
C2	C7	C6	120.5°	119.9°
C2	C7	H3	119.8°	120.0°
O	C1	N	122.8°	119.9°
O	C1	C	122.0°	120.0°
N	C1	C	115.2°	120.1°
C1	N	H10	116.1°	120.0°
C1	C	H7	109.5°	109.5°
C1	C	H8	109.5°	109.4°
C1	C	H9	109.5°	109.5°
C7	C6	H2	120.0°	119.9°
C6	C7	H3	119.7°	120.1°
H4	C8	H5	109.5°	109.5°
H4	C8	H6	109.5°	109.4°
H5	C8	H6	109.5°	109.5°
H7	C	H8	109.5°	109.4°
H7	C	H9	109.4°	109.5°
H8	C	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H1	180.0°	179.7°
C4	C3	C2	H11	180.0°	179.9°
C3	C4	C5	O1	178.8°	180.0°
C3	C4	C5	C6	0.6°	0.0°
C4	C3	C2	N	179.2°	180.0°
C4	C3	C2	C7	0.5°	0.1°
C5	C4	C3	C2	0.1°	0.1°
C4	C5	O1	C6	179.4°	180.0°
C4	C5	O1	C8	179.7°	180.0°
C4	C5	C6	C7	0.5°	0.0°
C4	C5	C6	H2	179.4°	179.9°
C5	C4	C3	H11	179.9°	180.0°
C3	C2	N	C7	179.7°	179.9°
C3	C2	N	C1	136.0°	144.9°
C3	C2	C7	C6	0.5°	0.0°
C2	C3	C4	H1	179.9°	179.7°
C3	C2	C7	H3	179.5°	180.0°
C3	C2	N	H10	44.0°	35.1°
O1	C5	C6	C7	178.9°	180.0°
O1	C5	C4	H1	1.1°	0.3°
O1	C5	C6	H2	1.1°	0.0°
C5	O1	C8	H4	180.0°	60.0°
C5	O1	C8	H5	60.0°	180.0°
C5	O1	C8	H6	60.0°	60.0°
C8	O1	C5	C6	0.9°	0.0°
O1	C8	H4	H5	120.0°	120.0°
O1	C8	H4	H6	120.0°	120.0°
O1	C8	H5	H6	120.0°	120.1°
C5	C6	C7	C2	0.0°	0.0°
C5	C6	C7	H2	180.0°	179.9°
C6	C5	C4	H1	179.5°	179.7°
C5	C6	C7	H3	180.0°	180.0°
C2	N	C1	O	66.4°	4.6°
C2	N	C1	H10	180.0°	180.0°
C2	N	C1	C	113.2°	175.4°
N	C2	C7	C6	179.2°	180.0°
N	C2	C7	H3	0.8°	0.1°
N	C2	C3	H11	0.8°	0.1°
C7	C2	N	C1	43.7°	35.1°
C2	C7	C6	H3	180.0°	180.0°
C2	C7	C6	H2	180.0°	179.9°
C7	C2	N	H10	136.3°	144.9°
C7	C2	C3	H11	179.5°	180.0°
O	C1	N	C	179.6°	180.0°
O	C1	C	H7	0.0°	90.0°
O	C1	C	H8	120.0°	150.0°
O	C1	C	H9	120.0°	30.0°
O	C1	N	H10	113.5°	175.4°
N	C1	C	H7	179.6°	89.9°
N	C1	C	H8	60.3°	30.0°
N	C1	C	H9	59.6°	150.0°
C1	C	H7	H8	120.0°	119.9°
C1	C	H7	H9	120.0°	120.1°
C1	C	H8	H9	120.0°	120.0°
C	C1	N	H10	66.8°	4.6°
H1	C4	C3	H11	0.0°	0.3°
H2	C6	C7	H3	0.0°	0.0°
H4	C8	H5	H6	120.0°	119.9°
H7	C	H8	H9	119.9°	120.1°

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PDB entries from 2024-07-17

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