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Summary Geometry Related PDB entries

X11

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.33Å	1.36Å	Aromatic
N1	C6	sing	1.33Å	1.35Å	Aromatic
C2	N3	sing	1.33Å	1.35Å	Aromatic
C2	N7	sing	1.38Å	1.41Å
N3	C4	doub	1.33Å	1.35Å	Aromatic
C4	N5	sing	1.33Å	1.35Å	Aromatic
C4	N8	sing	1.38Å	1.39Å
N5	C6	doub	1.33Å	1.35Å	Aromatic
C6	C9	sing	1.48Å	1.49Å	Aromatic
C9	C10	doub	1.40Å	1.44Å	Aromatic
C9	C14	sing	1.39Å	1.43Å	Aromatic
C10	C11	sing	1.39Å	1.42Å	Aromatic
C10	O15	sing	1.36Å	1.37Å
C11	C12	doub	1.38Å	1.43Å	Aromatic
C12	C13	sing	1.38Å	1.43Å	Aromatic
C13	C14	doub	1.38Å	1.42Å	Aromatic
N7	HN7	sing	0.97Å	1.00Å
N7	HN7A	sing	0.97Å	1.00Å
N8	HN8	sing	0.97Å	1.00Å
N8	HN8A	sing	0.97Å	1.00Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
O15	HO15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	119.8°	120.0°
N1	C2	N3	120.1°	120.0°
N1	C2	N7	119.8°	120.0°
N1	C6	N5	119.7°	120.0°
N1	C6	C9	120.4°	120.1°
N3	C2	N7	120.1°	120.0°
C2	N3	C4	119.8°	120.1°
C2	N7	HN7	109.5°	120.0°
C2	N7	HN7A	109.5°	120.0°
N3	C4	N5	120.0°	120.0°
N3	C4	N8	120.6°	120.0°
N5	C4	N8	119.5°	120.0°
C4	N5	C6	120.6°	120.0°
C4	N8	HN8	109.5°	120.0°
C4	N8	HN8A	109.5°	120.0°
N5	C6	C9	119.9°	120.0°
C6	C9	C10	120.3°	120.2°
C6	C9	C14	119.9°	120.2°
C10	C9	C14	119.9°	119.6°
C9	C10	C11	119.8°	119.8°
C9	C10	O15	120.5°	120.1°
C9	C14	C13	120.3°	120.0°
C9	C14	H14	119.9°	120.0°
C11	C10	O15	119.7°	120.2°
C10	C11	C12	120.2°	120.0°
C10	C11	H11	119.9°	119.9°
C10	O15	HO15	109.5°	114.0°
C11	C12	C13	120.3°	120.4°
C12	C11	H11	119.9°	120.0°
C11	C12	H12	119.8°	119.8°
C12	C13	C14	119.6°	120.2°
C13	C12	H12	119.9°	119.8°
C12	C13	H13	120.2°	119.9°
C14	C13	H13	120.2°	119.8°
C13	C14	H14	119.9°	120.0°
HN7	N7	HN7A	109.5°	120.0°
HN8	N8	HN8A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	N7	179.9°	179.8°
N1	C2	N3	C4	0.1°	0.1°
C2	N1	C6	N5	0.0°	0.0°
C2	N1	C6	C9	179.8°	179.9°
N1	C2	N7	HN7	0.0°	0.1°
N1	C2	N7	HN7A	120.0°	180.0°
C6	N1	C2	N3	0.0°	0.1°
C6	N1	C2	N7	179.9°	179.9°
N1	C6	N5	C4	0.1°	0.0°
N1	C6	N5	C9	179.8°	180.0°
N1	C6	C9	C10	179.6°	180.0°
N1	C6	C9	C14	0.1°	0.3°
C2	N3	C4	N5	0.1°	0.0°
C2	N3	C4	N8	179.9°	179.9°
N3	C2	N7	HN7	179.9°	180.0°
N3	C2	N7	HN7A	60.1°	0.1°
N7	C2	N3	C4	180.0°	179.9°
C2	N7	HN7	HN7A	120.0°	179.9°
N3	C4	N5	N8	179.8°	180.0°
N3	C4	N5	C6	0.1°	0.0°
N3	C4	N8	HN8	0.0°	0.0°
N3	C4	N8	HN8A	120.0°	180.0°
C4	N5	C6	C9	179.9°	180.0°
N5	C4	N8	HN8	179.8°	180.0°
N5	C4	N8	HN8A	60.2°	0.0°
N8	C4	N5	C6	179.9°	180.0°
C4	N8	HN8	HN8A	120.0°	180.0°
N5	C6	C9	C10	0.2°	0.0°
N5	C6	C9	C14	179.9°	179.7°
C6	C9	C10	C14	179.7°	179.7°
C6	C9	C10	C11	179.4°	180.0°
C6	C9	C10	O15	0.6°	0.1°
C6	C9	C14	C13	179.6°	179.7°
C6	C9	C14	H14	0.4°	0.1°
C9	C10	C11	O15	180.0°	179.9°
C9	C10	C11	C12	0.2°	0.1°
C10	C9	C14	C13	0.1°	0.6°
C9	C10	C11	H11	179.8°	180.0°
C10	C9	C14	H14	179.9°	179.7°
C9	C10	O15	HO15	180.0°	90.1°
C14	C9	C10	C11	0.3°	0.3°
C14	C9	C10	O15	179.7°	179.7°
C9	C14	C13	C12	0.2°	0.6°
C9	C14	C13	H14	180.0°	179.6°
C9	C14	C13	H13	179.8°	179.7°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.0°
C10	C11	C12	H12	179.9°	180.0°
C11	C10	O15	HO15	0.0°	90.0°
O15	C10	C11	C12	179.8°	180.0°
O15	C10	C11	H11	0.2°	0.0°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	0.3°	0.3°
C11	C12	C13	H13	179.6°	180.0°
C12	C13	C14	H13	180.0°	179.7°
C13	C12	C11	H11	179.9°	180.0°
C12	C13	C14	H14	179.8°	179.7°
C14	C13	C12	H12	179.7°	179.7°
H11	C11	C12	H12	0.2°	0.0°
H12	C12	C13	H13	0.4°	0.0°
H13	C13	C14	H14	0.2°	0.0°

246704

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