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Summary Geometry Related PDB entries

5OB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C2	sing	1.36Å	1.35Å	Aromatic
N3	C3A	sing	1.38Å	1.39Å	Aromatic
N3	H31N	sing	0.97Å	1.02Å
N1	C2	doub	1.30Å	1.35Å	Aromatic
N1	C7A	sing	1.36Å	1.41Å	Aromatic
C2	H21	sing	1.08Å	1.10Å
C7A	C3A	doub	1.40Å	1.38Å	Aromatic
C7A	C7	sing	1.40Å	1.39Å	Aromatic
C3A	C4	sing	1.39Å	1.39Å	Aromatic
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	H41	sing	1.08Å	1.10Å
C5	C6	sing	1.39Å	1.41Å	Aromatic
C5	O10	sing	1.36Å	1.34Å
C6	C7	doub	1.37Å	1.39Å	Aromatic
C6	H61	sing	1.08Å	1.10Å
C7	H71	sing	1.08Å	1.10Å
O10	C11	sing	1.43Å	1.41Å
C11	H111	sing	1.09Å	1.11Å
C11	H112	sing	1.09Å	1.12Å
C11	H113	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N3	C3A	106.6°	107.3°
C2	N3	H31N	125.4°	126.4°
N3	C2	N1	113.1°	110.1°
N3	C2	H21	123.2°	125.0°
C3A	N3	H31N	128.0°	126.3°
N3	C3A	C7A	106.8°	106.0°
N3	C3A	C4	132.8°	134.1°
C2	N1	C7A	103.9°	109.7°
N1	C2	H21	123.7°	125.0°
N1	C7A	C3A	109.6°	106.9°
N1	C7A	C7	130.4°	133.5°
C3A	C7A	C7	120.1°	119.6°
C7A	C3A	C4	120.4°	119.9°
C7A	C7	C6	120.5°	119.9°
C7A	C7	H71	119.9°	120.0°
C3A	C4	C5	119.6°	119.6°
C3A	C4	H41	120.3°	120.2°
C5	C4	H41	120.0°	120.2°
C4	C5	C6	120.2°	120.4°
C4	C5	O10	112.9°	119.8°
C6	C5	O10	126.8°	119.8°
C5	C6	C7	119.2°	120.6°
C5	C6	H61	121.1°	119.7°
C5	O10	C11	109.3°	106.9°
C7	C6	H61	119.7°	119.7°
C6	C7	H71	119.6°	120.0°
O10	C11	H111	109.3°	109.5°
O10	C11	H112	112.3°	109.5°
O10	C11	H113	112.3°	109.4°
H111	C11	H112	112.3°	109.4°
H111	C11	H113	112.3°	109.5°
H112	C11	H113	98.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N3	C3A	H31N	180.0°	180.0°
N3	C2	N1	H21	180.0°	179.9°
N3	C2	N1	C7A	1.0°	0.0°
C2	N3	C3A	C7A	0.5°	0.0°
C2	N3	C3A	C4	179.6°	179.7°
C3A	N3	C2	N1	0.4°	0.0°
N3	C3A	C7A	N1	1.1°	0.0°
C3A	N3	C2	H21	179.6°	179.9°
N3	C3A	C7A	C4	179.2°	179.7°
N3	C3A	C7A	C7	179.1°	180.0°
N3	C3A	C4	C5	179.6°	179.9°
N3	C3A	C4	H41	0.4°	0.0°
H31N	N3	C2	N1	179.6°	180.0°
H31N	N3	C2	H21	0.4°	0.1°
H31N	N3	C3A	C7A	179.6°	180.0°
H31N	N3	C3A	C4	0.5°	0.3°
C2	N1	C7A	C3A	1.3°	0.0°
C2	N1	C7A	C7	178.9°	180.0°
C7A	N1	C2	H21	179.0°	179.9°
N1	C7A	C3A	C7	179.8°	180.0°
N1	C7A	C3A	C4	179.7°	179.8°
N1	C7A	C7	C6	178.4°	180.0°
N1	C7A	C7	H71	1.6°	0.1°
C7A	C3A	C4	C5	0.6°	0.5°
C7A	C3A	C4	H41	179.4°	179.6°
C3A	C7A	C7	C6	1.4°	0.0°
C3A	C7A	C7	H71	178.6°	180.0°
C7	C7A	C3A	C4	0.2°	0.3°
C7A	C7	C6	C5	1.8°	0.0°
C7A	C7	C6	H71	180.0°	179.9°
C7A	C7	C6	H61	178.2°	180.0°
C3A	C4	C5	H41	180.0°	179.9°
C3A	C4	C5	C6	0.2°	0.4°
C3A	C4	C5	O10	179.4°	179.7°
C4	C5	C6	O10	179.6°	179.9°
C4	C5	C6	C7	1.0°	0.2°
C4	C5	C6	H61	179.0°	179.8°
C4	C5	O10	C11	4.9°	179.8°
H41	C4	C5	C6	179.8°	179.6°
H41	C4	C5	O10	0.6°	0.2°
C5	C6	C7	H61	180.0°	180.0°
C5	C6	C7	H71	178.2°	179.9°
C6	C5	O10	C11	175.5°	0.1°
O10	C5	C6	C7	179.4°	180.0°
O10	C5	C6	H61	0.6°	0.0°
C5	O10	C11	H111	180.0°	180.0°
C5	O10	C11	H112	54.7°	60.0°
C5	O10	C11	H113	54.7°	60.0°
H61	C6	C7	H71	1.8°	0.1°
O10	C11	H111	H112	125.2°	120.0°
O10	C11	H111	H113	125.3°	120.0°
O10	C11	H112	H113	118.2°	119.9°
H111	C11	H112	H113	118.3°	120.0°

223532

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