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Summary Geometry Related PDB entries

Q02

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	P	doub	1.48Å	1.60Å
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C6	C1	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
O	P	sing	1.61Å	1.49Å
P	O2	sing	1.61Å	1.61Å
P	C	sing	1.82Å	1.83Å
C1	C	sing	1.51Å	1.49Å
C1	C2	doub	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.40Å	Aromatic
C	N	sing	1.47Å	1.45Å
O	H1	sing	0.97Å	0.95Å
O2	H2	sing	0.97Å	0.95Å
C	H3	sing	1.09Å	1.10Å
N	H4	sing	1.01Å	1.00Å
N	H5	sing	1.01Å	1.00Å
C6	H7	sing	1.08Å	1.08Å
C5	H8	sing	1.08Å	1.08Å
C4	H9	sing	1.08Å	1.08Å
C3	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	P	O	111.0°	109.5°
O1	P	O2	111.3°	109.5°
O1	P	C	112.4°	109.5°
C6	C5	C4	120.4°	120.0°
C5	C6	C1	120.1°	120.0°
C5	C6	H7	119.9°	120.0°
C6	C5	H8	119.8°	120.0°
C5	C4	C3	119.5°	120.0°
C4	C5	H8	119.8°	120.0°
C5	C4	H9	120.3°	120.0°
C6	C1	C	122.6°	120.0°
C6	C1	C2	119.6°	120.0°
C1	C6	H7	119.9°	120.0°
C4	C3	C2	120.2°	120.0°
C3	C4	H9	120.3°	120.1°
C4	C3	H10	119.9°	119.9°
O	P	O2	111.0°	109.5°
O	P	C	108.3°	109.5°
P	O	H1	109.5°	114.0°
O2	P	C	102.5°	109.4°
P	O2	H2	109.5°	114.0°
P	C	C1	116.8°	109.5°
P	C	N	110.1°	109.4°
P	C	H3	104.6°	109.4°
C	C1	C2	117.8°	120.0°
C1	C	N	108.5°	109.5°
C1	C	H3	108.1°	109.5°
C1	C2	C3	120.2°	120.0°
C1	C2	H11	119.9°	120.0°
C2	C3	H10	119.9°	120.0°
C3	C2	H11	119.9°	120.0°
N	C	H3	108.5°	109.5°
C	N	H4	109.5°	111.1°
C	N	H5	109.5°	111.0°
H4	N	H5	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	P	O	O2	124.4°	120.0°
O1	P	O	C	123.8°	120.0°
O1	P	O2	C	120.4°	120.0°
O1	P	C	C1	56.7°	55.0°
O1	P	C	N	67.6°	65.0°
O1	P	O	H1	0.0°	60.0°
O1	P	O2	H2	0.0°	180.0°
O1	P	C	H3	176.0°	175.0°
C6	C5	C4	H8	180.0°	179.9°
C5	C6	C1	H7	180.0°	179.9°
C6	C5	C4	C3	0.1°	0.0°
C5	C6	C1	C	179.0°	179.9°
C5	C6	C1	C2	0.2°	0.3°
C6	C5	C4	H9	179.9°	180.0°
C4	C5	C6	C1	0.2°	0.1°
C5	C4	C3	H9	180.0°	180.0°
C5	C4	C3	C2	0.0°	0.2°
C4	C5	C6	H7	179.8°	179.9°
C5	C4	C3	H10	180.0°	180.0°
C6	C1	C	P	9.7°	84.7°
C6	C1	C	C2	178.8°	179.8°
C6	C1	C2	C3	0.1°	0.5°
C6	C1	C	N	134.7°	35.2°
C6	C1	C	H3	107.9°	155.3°
C1	C6	C5	H8	179.8°	180.0°
C6	C1	C2	H11	179.9°	179.7°
C4	C3	C2	C1	0.0°	0.4°
C4	C3	C2	H10	180.0°	179.9°
C3	C4	C5	H8	179.9°	179.9°
C4	C3	C2	H11	180.0°	179.8°
O	P	O2	C	115.4°	120.0°
O	P	C	C1	66.3°	175.0°
O	P	C	N	169.5°	55.0°
O	P	O2	H2	124.2°	60.0°
O	P	C	H3	53.1°	65.0°
O2	P	C	C1	176.3°	65.0°
O2	P	C	N	52.1°	175.0°
O2	P	O	H1	124.4°	60.0°
O2	P	C	H3	64.3°	55.1°
P	C	C1	N	125.0°	119.9°
P	C	C1	H3	117.5°	120.0°
P	C	C1	C2	171.5°	95.1°
P	C	N	H3	113.9°	119.9°
C	P	O	H1	123.8°	180.0°
C	P	O2	H2	120.4°	60.0°
P	C	N	H4	180.0°	64.0°
P	C	N	H5	60.0°	60.0°
C	C1	C2	C3	179.0°	179.7°
C1	C	N	H3	117.2°	120.1°
C1	C	N	H4	51.1°	176.1°
C1	C	N	H5	171.1°	59.9°
C	C1	C6	H7	1.0°	0.0°
C	C1	C2	H11	1.0°	0.1°
C1	C2	C3	H11	180.0°	179.8°
C2	C1	C	N	46.5°	145.0°
C2	C1	C	H3	71.0°	24.9°
C2	C1	C6	H7	179.8°	179.8°
C1	C2	C3	H10	180.0°	179.7°
C2	C3	C4	H9	180.0°	179.8°
C	N	H4	H5	120.0°	124.0°
H3	C	N	H4	66.1°	56.0°
H3	C	N	H5	53.9°	180.0°
H7	C6	C5	H8	0.2°	0.2°
H8	C5	C4	H9	0.1°	0.1°
H9	C4	C3	H10	0.0°	0.0°
H10	C3	C2	H11	0.0°	0.1°

246704

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