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Summary Geometry Related PDB entries

1H1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C7	trip	1.14Å	1.16Å
C7	C6	sing	1.47Å	1.48Å
C6	C5	sing	1.53Å	1.52Å
O3	C5	sing	1.43Å	1.43Å
C5	C4	sing	1.53Å	1.53Å
O1	C3	sing	1.34Å	1.46Å
O1	C2	sing	1.45Å	1.43Å
C4	C3	sing	1.51Å	1.51Å
C1	C2	sing	1.53Å	1.51Å
C3	O2	doub	1.21Å	1.22Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
O3	H9	sing	0.97Å	0.95Å
C6	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C7	C6	176.5°	179.9°
C7	C6	C5	111.6°	109.5°
C7	C6	H10	109.0°	109.5°
C7	C6	H11	108.9°	109.4°
C6	C5	O3	109.3°	109.5°
C6	C5	C4	110.0°	109.4°
C6	C5	H8	109.1°	109.5°
C5	C6	H10	108.9°	109.5°
C5	C6	H11	109.0°	109.4°
O3	C5	C4	109.0°	109.4°
O3	C5	H8	110.4°	109.5°
C5	O3	H9	109.5°	114.0°
C5	C4	C3	110.7°	109.5°
C5	C4	H6	109.1°	109.4°
C5	C4	H7	109.1°	109.4°
C4	C5	H8	109.1°	109.4°
C3	O1	C2	118.5°	117.0°
O1	C3	C4	120.9°	120.0°
O1	C3	O2	118.6°	120.0°
O1	C2	C1	108.6°	109.5°
O1	C2	H1	109.7°	109.5°
O1	C2	H2	109.7°	109.5°
C4	C3	O2	120.6°	120.0°
C3	C4	H6	109.2°	109.5°
C3	C4	H7	109.2°	109.5°
C1	C2	H1	109.7°	109.5°
C1	C2	H2	109.7°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H4	109.5°	109.5°
C2	C1	H5	109.4°	109.5°
H1	C2	H2	109.4°	109.5°
H3	C1	H4	109.5°	109.5°
H3	C1	H5	109.5°	109.4°
H4	C1	H5	109.4°	109.4°
H6	C4	H7	109.5°	109.5°
H10	C6	H11	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C7	C6	C5	169.4°	47.0°
N	C7	C6	H10	49.1°	73.0°
N	C7	C6	H11	70.3°	167.0°
C7	C6	C5	H10	120.3°	120.0°
C7	C6	C5	H11	120.3°	119.9°
C7	C6	C5	O3	171.6°	65.0°
C7	C6	C5	C4	68.8°	175.0°
C7	C6	C5	H8	50.8°	55.1°
C7	C6	H10	H11	119.0°	120.0°
C6	C5	O3	C4	120.2°	120.0°
C6	C5	O3	H8	120.1°	120.1°
C6	C5	C4	H8	119.6°	120.0°
C6	C5	C4	C3	171.8°	175.0°
C6	C5	C4	H6	51.6°	55.0°
C6	C5	C4	H7	68.0°	65.0°
C6	C5	O3	H9	180.0°	60.0°
C5	C6	H10	H11	119.1°	120.0°
O3	C5	C4	H8	120.6°	120.0°
O3	C5	C4	C3	52.1°	65.0°
O3	C5	C4	H6	68.1°	175.0°
O3	C5	C4	H7	172.3°	55.0°
O3	C5	C6	H10	51.3°	175.0°
O3	C5	C6	H11	68.1°	54.9°
C5	C4	C3	O1	49.2°	179.7°
C5	C4	C3	H6	120.2°	120.0°
C5	C4	C3	H7	120.2°	120.0°
C5	C4	C3	O2	131.3°	0.1°
C5	C4	H6	H7	119.4°	120.0°
C4	C5	O3	H9	59.8°	60.0°
C4	C5	C6	H10	170.9°	55.0°
C4	C5	C6	H11	51.5°	65.0°
O1	C3	C4	O2	179.5°	179.6°
C3	O1	C2	C1	108.9°	180.0°
C3	O1	C2	H1	11.0°	60.0°
C3	O1	C2	H2	131.2°	60.0°
O1	C3	C4	H6	169.4°	60.3°
O1	C3	C4	H7	71.0°	59.7°
C2	O1	C3	C4	150.6°	179.7°
O1	C2	C1	H1	119.9°	120.0°
O1	C2	C1	H2	119.9°	120.0°
C2	O1	C3	O2	28.9°	0.0°
O1	C2	H1	H2	120.4°	120.0°
O1	C2	C1	H3	180.0°	60.0°
O1	C2	C1	H4	60.0°	60.0°
O1	C2	C1	H5	60.0°	180.0°
C3	C4	H6	H7	119.5°	120.1°
C3	C4	C5	H8	68.5°	55.0°
C1	C2	H1	H2	120.4°	120.0°
C2	C1	H3	H4	120.0°	120.0°
C2	C1	H3	H5	120.0°	120.0°
C2	C1	H4	H5	120.0°	120.0°
O2	C3	C4	H6	11.1°	120.0°
O2	C3	C4	H7	108.5°	119.9°
H1	C2	C1	H3	60.1°	180.0°
H1	C2	C1	H4	179.9°	60.0°
H1	C2	C1	H5	59.9°	60.0°
H2	C2	C1	H3	60.1°	60.0°
H2	C2	C1	H4	59.9°	NaN°
H2	C2	C1	H5	179.9°	60.0°
H3	C1	H4	H5	120.0°	119.9°
H6	C4	C5	H8	171.3°	65.0°
H7	C4	C5	H8	51.7°	175.0°
H8	C5	O3	H9	60.0°	180.0°
H8	C5	C6	H10	69.5°	65.0°
H8	C5	C6	H11	171.1°	175.0°

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PDB entries from 2024-08-07

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