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Summary Geometry Related PDB entries

4RU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N14	C13	sing	1.38Å	1.39Å
C11	C10	doub	1.36Å	1.38Å	Aromatic
C11	C12	sing	1.40Å	1.41Å	Aromatic
C10	C9	sing	1.39Å	1.40Å	Aromatic
O3	C2	doub	1.22Å	1.23Å
C13	C12	doub	1.42Å	1.43Å	Aromatic
C13	C4	sing	1.40Å	1.41Å	Aromatic
C12	C7	sing	1.42Å	1.43Å	Aromatic
C2	C4	sing	1.47Å	1.48Å
C2	N1	sing	1.35Å	1.35Å
C9	C8	doub	1.36Å	1.37Å	Aromatic
C4	N5	doub	1.33Å	1.35Å	Aromatic
C7	C8	sing	1.40Å	1.41Å	Aromatic
C7	N6	doub	1.34Å	1.35Å	Aromatic
N5	N6	sing	1.28Å	1.29Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
N14	H7	sing	0.97Å	1.00Å
N14	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N14	C13	C12	121.7°	121.4°
N14	C13	C4	122.3°	121.5°
C13	N14	H7	109.5°	120.1°
C13	N14	H8	109.5°	120.0°
C10	C11	C12	120.6°	119.5°
C11	C10	C9	118.8°	120.8°
C11	C10	H4	120.6°	119.6°
C10	C11	H6	119.7°	120.2°
C11	C12	C13	121.8°	122.0°
C11	C12	C7	120.3°	119.9°
C12	C11	H6	119.7°	120.3°
C10	C9	C8	122.6°	121.1°
C9	C10	H4	120.6°	119.6°
C10	C9	H5	118.7°	119.4°
O3	C2	C4	120.5°	120.0°
O3	C2	N1	120.6°	120.0°
C12	C13	C4	116.0°	117.2°
C13	C12	C7	117.9°	118.1°
C13	C4	C2	122.2°	119.9°
C13	C4	N5	121.4°	120.1°
C12	C7	C8	118.0°	119.0°
C12	C7	N6	121.0°	119.4°
C4	C2	N1	118.9°	120.0°
C2	C4	N5	116.4°	120.0°
C2	N1	H1	120.0°	120.0°
C2	N1	H2	120.0°	120.1°
C9	C8	C7	119.8°	119.7°
C9	C8	H3	120.1°	120.2°
C8	C9	H5	118.7°	119.5°
C4	N5	N6	123.3°	123.2°
C8	C7	N6	121.0°	121.6°
C7	C8	H3	120.1°	120.1°
C7	N6	N5	120.4°	122.0°
H1	N1	H2	120.0°	120.0°
H7	N14	H8	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N14	C13	C12	C11	0.3°	0.0°
N14	C13	C12	C4	178.8°	180.0°
N14	C13	C12	C7	179.0°	180.0°
N14	C13	C4	C2	2.3°	0.3°
N14	C13	C4	N5	179.3°	180.0°
C13	N14	H7	H8	120.0°	179.9°
C10	C11	C12	H6	180.0°	180.0°
C11	C10	C9	H4	180.0°	180.0°
C10	C11	C12	C13	179.2°	180.0°
C10	C11	C12	C7	1.4°	0.0°
C11	C10	C9	C8	0.6°	0.0°
C11	C10	C9	H5	179.4°	180.0°
C12	C11	C10	C9	1.2°	0.0°
C11	C12	C13	C7	179.4°	180.0°
C11	C12	C13	C4	179.1°	180.0°
C11	C12	C7	C8	0.9°	0.0°
C11	C12	C7	N6	179.8°	180.0°
C12	C11	C10	H4	178.8°	180.0°
C10	C9	C8	H5	180.0°	180.0°
C10	C9	C8	C7	0.1°	0.1°
C10	C9	C8	H3	180.0°	180.0°
C9	C10	C11	H6	178.8°	180.0°
O3	C2	C4	C13	16.8°	5.5°
O3	C2	C4	N1	177.1°	180.0°
O3	C2	C4	N5	161.7°	174.7°
O3	C2	N1	H1	0.0°	180.0°
O3	C2	N1	H2	180.0°	0.3°
C12	C13	C4	C2	178.9°	179.7°
C12	C13	C4	N5	0.5°	0.0°
C13	C12	C7	C8	179.7°	180.0°
C13	C12	C7	N6	0.8°	0.0°
C13	C12	C11	H6	0.8°	0.0°
C12	C13	N14	H7	180.0°	5.5°
C12	C13	N14	H8	60.0°	174.6°
C4	C13	C12	C7	0.2°	0.0°
C13	C4	C2	N5	178.5°	179.8°
C13	C4	C2	N1	166.2°	174.5°
C13	C4	N5	N6	0.4°	0.0°
C4	C13	N14	H7	1.3°	174.5°
C4	C13	N14	H8	118.7°	5.4°
C12	C7	C8	C9	0.3°	0.0°
C12	C7	C8	N6	178.9°	180.0°
C12	C7	N6	N5	1.7°	0.0°
C12	C7	C8	H3	179.8°	180.0°
C7	C12	C11	H6	178.6°	180.0°
C2	C4	N5	N6	178.2°	179.7°
C4	C2	N1	H1	177.1°	0.0°
C4	C2	N1	H2	3.0°	179.7°
N1	C2	C4	N5	15.3°	5.3°
C2	N1	H1	H2	180.0°	179.7°
C9	C8	C7	H3	180.0°	180.0°
C9	C8	C7	N6	179.1°	180.0°
C8	C9	C10	H4	179.5°	180.0°
C4	N5	N6	C7	1.5°	0.0°
C8	C7	N6	N5	179.4°	180.0°
C7	C8	C9	H5	179.9°	179.9°
N6	C7	C8	H3	0.9°	0.0°
H3	C8	C9	H5	0.1°	0.0°
H4	C10	C9	H5	0.5°	0.0°
H4	C10	C11	H6	1.2°	0.0°

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