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Summary Geometry Related PDB entries

8SA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C8	doub	1.33Å	1.36Å	Aromatic
C9	S1	sing	1.76Å	1.70Å	Aromatic
C8	C7	sing	1.38Å	1.40Å	Aromatic
S1	C6	sing	1.76Å	1.72Å	Aromatic
C7	C6	doub	1.33Å	1.37Å	Aromatic
C6	C5	sing	1.51Å	1.49Å
C5	N1	sing	1.47Å	1.45Å
N1	C4	sing	1.39Å	1.36Å
C4	N2	doub	1.31Å	1.30Å	Aromatic
C4	C3	sing	1.42Å	1.40Å	Aromatic
N2	O1	sing	1.21Å	1.41Å	Aromatic
C3	C2	doub	1.35Å	1.33Å	Aromatic
O1	C2	sing	1.34Å	1.35Å	Aromatic
C2	C1	sing	1.51Å	1.48Å
N1	H1	sing	0.97Å	1.00Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C9	S1	105.8°	109.5°
C9	C8	C7	116.4°	115.0°
C9	C8	H5	121.8°	122.5°
C8	C9	H10	127.1°	125.2°
C9	S1	C6	97.5°	91.0°
S1	C9	H10	127.1°	125.2°
C8	C7	C6	114.2°	114.9°
C8	C7	H4	122.9°	122.5°
C7	C8	H5	121.8°	122.5°
S1	C6	C7	106.0°	109.6°
S1	C6	C5	127.4°	125.2°
C7	C6	C5	126.6°	125.2°
C6	C7	H4	122.9°	122.6°
C6	C5	N1	110.0°	109.5°
C6	C5	H2	109.4°	109.5°
C6	C5	H3	109.3°	109.5°
C5	N1	C4	117.9°	120.0°
C5	N1	H1	107.3°	120.0°
N1	C5	H2	109.3°	109.5°
N1	C5	H3	109.4°	109.5°
N1	C4	N2	125.0°	126.9°
N1	C4	C3	126.5°	126.9°
C4	N1	H1	107.3°	120.0°
N2	C4	C3	108.5°	106.2°
C4	N2	O1	107.6°	111.4°
C4	C3	C2	108.1°	103.9°
C4	C3	H9	125.9°	128.1°
N2	O1	C2	107.6°	111.8°
C3	C2	O1	108.2°	106.6°
C3	C2	C1	126.2°	126.7°
C2	C3	H9	126.0°	128.0°
O1	C2	C1	125.6°	126.7°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.5°	109.4°
C2	C1	H8	109.5°	109.4°
H2	C5	H3	109.4°	109.5°
H6	C1	H7	109.5°	109.5°
H6	C1	H8	109.5°	109.5°
H7	C1	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C9	S1	H10	180.0°	179.7°
C9	C8	C7	H5	180.0°	179.9°
C8	C9	S1	C6	0.0°	0.3°
C9	C8	C7	C6	0.2°	0.0°
C9	C8	C7	H4	179.8°	179.9°
S1	C9	C8	C7	0.1°	0.3°
C9	S1	C6	C7	0.1°	0.3°
C9	S1	C6	C5	180.0°	180.0°
S1	C9	C8	H5	179.9°	179.8°
C8	C7	C6	S1	0.2°	0.3°
C8	C7	C6	H4	180.0°	179.9°
C8	C7	C6	C5	180.0°	180.0°
C7	C8	C9	H10	179.9°	180.0°
S1	C6	C7	C5	179.9°	179.7°
S1	C6	C5	N1	91.5°	90.3°
S1	C6	C5	H2	28.6°	149.7°
S1	C6	C5	H3	148.4°	29.7°
S1	C6	C7	H4	179.9°	179.8°
C6	S1	C9	H10	180.0°	179.9°
C7	C6	C5	N1	88.6°	90.0°
C7	C6	C5	H2	151.3°	30.0°
C7	C6	C5	H3	31.5°	150.0°
C6	C7	C8	H5	179.8°	179.9°
C6	C5	N1	H2	120.1°	120.0°
C6	C5	N1	H3	120.1°	120.0°
C6	C5	N1	C4	176.3°	180.0°
C6	C5	N1	H1	55.1°	0.3°
C6	C5	H2	H3	119.7°	120.0°
C5	C6	C7	H4	0.0°	0.1°
C5	N1	C4	H1	121.2°	179.7°
C5	N1	C4	N2	2.1°	179.8°
C5	N1	C4	C3	177.5°	0.6°
N1	C5	H2	H3	119.7°	120.0°
N1	C4	N2	C3	179.7°	179.7°
N1	C4	N2	O1	179.7°	180.0°
N1	C4	C3	C2	179.7°	180.0°
C4	N1	C5	H2	63.6°	60.0°
C4	N1	C5	H3	56.2°	60.0°
N1	C4	C3	H9	0.3°	0.1°
N2	C4	C3	C2	0.1°	0.3°
C4	N2	O1	C2	0.0°	0.1°
N2	C4	N1	H1	123.3°	0.1°
N2	C4	C3	H9	179.9°	179.8°
C3	C4	N2	O1	0.0°	0.2°
C4	C3	C2	H9	180.0°	179.9°
C4	C3	C2	O1	0.1°	0.2°
C4	C3	C2	C1	180.0°	180.0°
C3	C4	N1	H1	56.3°	179.7°
N2	O1	C2	C3	0.1°	0.1°
N2	O1	C2	C1	180.0°	179.8°
C3	C2	O1	C1	180.0°	179.8°
C3	C2	C1	H6	179.9°	89.9°
C3	C2	C1	H7	59.9°	150.0°
C3	C2	C1	H8	60.0°	30.1°
O1	C2	C1	H6	0.0°	89.8°
O1	C2	C1	H7	120.0°	30.3°
O1	C2	C1	H8	120.0°	150.2°
O1	C2	C3	H9	179.9°	179.9°
C2	C1	H6	H7	120.0°	120.0°
C2	C1	H6	H8	120.0°	120.0°
C2	C1	H7	H8	120.0°	119.9°
C1	C2	C3	H9	0.0°	0.1°
H1	N1	C5	H2	175.2°	120.4°
H1	N1	C5	H3	65.0°	119.7°
H4	C7	C8	H5	0.1°	0.0°
H5	C8	C9	H10	0.1°	0.1°
H6	C1	H7	H8	120.0°	120.1°

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