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Summary Geometry Related PDB entries

6HY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C4	sing	1.34Å	1.28Å
N	C7	sing	1.35Å	1.34Å
O1	C7	doub	1.22Å	1.20Å
C4	C2	doub	1.38Å	1.36Å
C7	C6	sing	1.41Å	1.37Å
O	C1	doub	1.21Å	1.20Å
C2	C1	sing	1.47Å	1.38Å
C2	C5	sing	1.42Å	1.38Å
C6	C5	doub	1.36Å	1.37Å
C1	C	sing	1.51Å	1.51Å
C	C3	sing	1.53Å	1.50Å
C3	C8	sing	1.51Å	1.50Å
C8	O2	doub	1.21Å	1.22Å
C8	O3	sing	1.34Å	1.21Å
O3	H1	sing	0.97Å	0.95Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C4	H9	sing	1.08Å	1.08Å
N	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N	C7	122.5°	121.1°
N	C4	C2	121.4°	120.5°
N	C4	H9	119.3°	119.8°
C4	N	H8	118.8°	119.5°
N	C7	O1	118.9°	119.7°
N	C7	C6	119.9°	120.5°
C7	N	H8	118.7°	119.4°
O1	C7	C6	121.2°	119.8°
C4	C2	C1	119.9°	120.3°
C4	C2	C5	117.5°	119.4°
C2	C4	H9	119.3°	119.8°
C7	C6	C5	117.7°	119.6°
C7	C6	H7	121.1°	120.2°
O	C1	C2	121.6°	119.9°
O	C1	C	120.2°	120.0°
C1	C2	C5	122.7°	120.3°
C2	C1	C	118.2°	120.0°
C2	C5	C6	121.0°	119.0°
C2	C5	H6	119.5°	120.5°
C6	C5	H6	119.5°	120.5°
C5	C6	H7	121.2°	120.3°
C1	C	C3	112.0°	109.5°
C1	C	H4	108.8°	109.5°
C1	C	H5	108.8°	109.5°
C	C3	C8	111.5°	109.5°
C	C3	H2	108.9°	109.5°
C	C3	H3	109.0°	109.4°
C3	C	H4	108.8°	109.4°
C3	C	H5	108.8°	109.4°
C3	C8	O2	119.6°	120.1°
C3	C8	O3	114.8°	120.0°
C8	C3	H2	109.0°	109.5°
C8	C3	H3	108.9°	109.5°
O2	C8	O3	125.3°	120.0°
C8	O3	H1	109.5°	116.9°
H2	C3	H3	109.5°	109.4°
H4	C	H5	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	N	C7	H8	180.0°	179.5°
C4	N	C7	O1	179.6°	179.7°
N	C4	C2	H9	180.0°	179.5°
C4	N	C7	C6	1.0°	0.2°
N	C4	C2	C1	179.5°	179.8°
N	C4	C2	C5	0.3°	0.5°
N	C7	O1	C6	178.6°	179.9°
C7	N	C4	C2	0.2°	0.5°
N	C7	C6	C5	1.3°	0.0°
N	C7	C6	H7	178.7°	180.0°
C7	N	C4	H9	179.8°	180.0°
O1	C7	C6	C5	179.9°	179.9°
O1	C7	C6	H7	0.1°	0.1°
O1	C7	N	H8	0.3°	0.2°
C4	C2	C1	O	2.3°	0.2°
C4	C2	C1	C5	179.8°	179.7°
C4	C2	C5	C6	0.1°	0.3°
C4	C2	C1	C	179.7°	179.7°
C4	C2	C5	H6	179.9°	179.8°
C2	C4	N	H8	179.8°	180.0°
C7	C6	C5	C2	0.9°	0.0°
C7	C6	C5	H7	180.0°	180.0°
C7	C6	C5	H6	179.1°	180.0°
C6	C7	N	H8	178.9°	179.7°
O	C1	C2	C	177.4°	180.0°
O	C1	C2	C5	177.5°	180.0°
O	C1	C	C3	9.4°	0.0°
O	C1	C	H4	111.0°	120.0°
O	C1	C	H5	129.7°	120.0°
C1	C2	C5	C6	179.9°	180.0°
C2	C1	C	C3	168.1°	180.0°
C2	C1	C	H4	71.5°	60.0°
C2	C1	C	H5	47.7°	60.0°
C1	C2	C5	H6	0.1°	0.0°
C1	C2	C4	H9	0.5°	0.2°
C2	C5	C6	H6	180.0°	180.0°
C5	C2	C1	C	0.0°	0.0°
C2	C5	C6	H7	179.1°	180.0°
C5	C2	C4	H9	179.7°	180.0°
C1	C	C3	H4	120.4°	120.0°
C1	C	C3	H5	120.4°	120.1°
C1	C	C3	C8	101.2°	180.0°
C1	C	C3	H2	138.5°	59.9°
C1	C	C3	H3	19.1°	60.0°
C1	C	H4	H5	118.8°	120.1°
C	C3	C8	H2	120.3°	120.0°
C	C3	C8	H3	120.3°	119.9°
C	C3	C8	O2	53.0°	0.1°
C	C3	C8	O3	132.1°	180.0°
C	C3	H2	H3	119.1°	119.9°
C3	C	H4	H5	118.8°	119.9°
C3	C8	O2	O3	174.3°	179.9°
C3	C8	O3	H1	174.6°	179.9°
C8	C3	H2	H3	119.1°	120.1°
C8	C3	C	H4	19.2°	59.9°
C8	C3	C	H5	138.5°	60.0°
O2	C8	O3	H1	0.0°	0.0°
O2	C8	C3	H2	173.3°	120.0°
O2	C8	C3	H3	67.3°	120.0°
O3	C8	C3	H2	11.8°	60.0°
O3	C8	C3	H3	107.6°	60.1°
H2	C3	C	H4	101.1°	180.0°
H2	C3	C	H5	18.2°	60.1°
H3	C3	C	H4	139.5°	60.1°
H3	C3	C	H5	101.2°	180.0°
H6	C5	C6	H7	0.9°	0.0°
H9	C4	N	H8	0.2°	0.5°

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