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Summary Geometry Related PDB entries

5F8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C11	doub	1.32Å	1.34Å	Aromatic
N	C10	sing	1.32Å	1.34Å	Aromatic
C11	C7	sing	1.39Å	1.38Å	Aromatic
O	C	doub	1.22Å	1.25Å
C10	C9	doub	1.38Å	1.37Å	Aromatic
C7	C3	sing	1.49Å	1.50Å
C7	C8	doub	1.40Å	1.39Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C2	C1	sing	1.39Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C1	C	sing	1.48Å	1.51Å
C1	C6	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C	O1	sing	1.35Å	1.25Å
C9	C8	sing	1.38Å	1.39Å	Aromatic
O1	H8	sing	0.97Å	0.95Å
C6	H3	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C4	H1	sing	1.08Å	1.08Å
C2	H	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	N	C10	117.4°	121.8°
N	C11	C7	123.6°	120.6°
N	C11	H7	118.2°	119.7°
N	C10	C9	123.3°	121.1°
N	C10	H6	118.3°	119.5°
C11	C7	C3	121.5°	120.6°
C11	C7	C8	117.8°	118.9°
C7	C11	H7	118.2°	119.7°
O	C	C1	117.7°	120.0°
O	C	O1	124.6°	120.0°
C10	C9	C8	118.7°	119.2°
C9	C10	H6	118.4°	119.5°
C10	C9	H5	120.7°	120.4°
C3	C7	C8	120.7°	120.5°
C7	C3	C2	120.3°	120.0°
C7	C3	C4	121.2°	120.0°
C7	C8	C9	119.2°	118.3°
C7	C8	H4	120.4°	120.8°
C2	C3	C4	118.4°	120.0°
C3	C2	C1	121.3°	119.7°
C3	C2	H	119.3°	120.2°
C3	C4	C5	120.6°	120.1°
C3	C4	H1	119.7°	119.9°
C2	C1	C	120.1°	120.1°
C2	C1	C6	119.1°	119.8°
C1	C2	H	119.4°	120.2°
C4	C5	C6	120.3°	120.3°
C4	C5	H2	119.8°	119.8°
C5	C4	H1	119.7°	120.0°
C	C1	C6	120.8°	120.1°
C1	C	O1	117.7°	120.0°
C1	C6	C5	120.2°	120.1°
C1	C6	H3	119.9°	120.0°
C5	C6	H3	119.9°	120.0°
C6	C5	H2	119.9°	119.9°
C	O1	H8	109.5°	117.0°
C8	C9	H5	120.6°	120.4°
C9	C8	H4	120.4°	120.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C11	C7	H7	180.0°	180.0°
C11	N	C10	C9	0.2°	0.0°
N	C11	C7	C3	178.3°	180.0°
N	C11	C7	C8	0.4°	0.3°
C11	N	C10	H6	179.8°	180.0°
C10	N	C11	C7	0.1°	0.0°
N	C10	C9	H6	180.0°	180.0°
N	C10	C9	C8	0.1°	0.3°
C10	N	C11	H7	179.9°	180.0°
N	C10	C9	H5	179.8°	180.0°
C11	C7	C3	C8	178.6°	179.7°
C11	C7	C3	C2	42.6°	0.3°
C11	C7	C3	C4	138.4°	179.7°
C11	C7	C8	C9	0.4°	0.6°
C11	C7	C8	H4	179.6°	179.7°
O	C	C1	C2	22.0°	0.3°
O	C	C1	O1	179.8°	180.0°
O	C	C1	C6	158.1°	180.0°
O	C	O1	H8	0.0°	0.0°
C10	C9	C8	C7	0.2°	0.5°
C10	C9	C8	H5	180.0°	179.7°
C10	C9	C8	H4	179.8°	179.7°
C7	C3	C2	C4	179.0°	179.4°
C7	C3	C2	C1	178.5°	180.0°
C7	C3	C4	C5	178.5°	179.7°
C3	C7	C8	C9	178.3°	179.8°
C7	C3	C4	H1	1.5°	0.3°
C7	C3	C2	H	1.5°	0.5°
C3	C7	C11	H7	1.7°	0.0°
C3	C7	C8	H4	1.7°	0.0°
C8	C7	C3	C2	136.0°	180.0°
C8	C7	C3	C4	42.9°	0.6°
C7	C8	C9	H4	180.0°	179.8°
C8	C7	C11	H7	179.6°	179.7°
C7	C8	C9	H5	179.9°	179.7°
C3	C2	C1	H	180.0°	179.5°
C2	C3	C4	C5	0.4°	0.3°
C3	C2	C1	C	179.7°	179.7°
C3	C2	C1	C6	0.2°	0.6°
C2	C3	C4	H1	179.6°	179.7°
C4	C3	C2	C1	0.5°	0.6°
C3	C4	C5	H1	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.0°
C3	C4	C5	H2	179.9°	179.9°
C4	C3	C2	H	179.5°	179.9°
C2	C1	C	C6	179.9°	179.7°
C2	C1	C6	C5	0.1°	0.3°
C2	C1	C	O1	157.8°	179.7°
C2	C1	C6	H3	179.9°	179.7°
C4	C5	C6	C1	0.2°	0.0°
C4	C5	C6	H2	180.0°	180.0°
C4	C5	C6	H3	179.9°	180.0°
C	C1	C6	C5	180.0°	180.0°
C1	C	O1	H8	179.8°	180.0°
C	C1	C6	H3	0.0°	0.1°
C	C1	C2	H	0.3°	0.3°
C1	C6	C5	H3	180.0°	179.9°
C6	C1	C	O1	22.1°	0.0°
C1	C6	C5	H2	179.8°	179.9°
C6	C1	C2	H	179.8°	179.9°
C6	C5	C4	H1	179.9°	180.0°
C8	C9	C10	H6	179.9°	179.7°
H3	C6	C5	H2	0.2°	0.0°
H2	C5	C4	H1	0.1°	0.0°
H6	C10	C9	H5	0.2°	0.0°
H5	C9	C8	H4	0.1°	0.0°

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PDB entries from 2024-07-03

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