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Summary Geometry Related PDB entries

SSY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.52Å
O	C1	doub	1.21Å	1.20Å
C1	C2	sing	1.47Å	1.50Å
C2	C7	doub	1.40Å	1.43Å	Aromatic
C2	C3	sing	1.40Å	1.41Å	Aromatic
C7	C6	sing	1.38Å	1.42Å	Aromatic
C3	C4	doub	1.38Å	1.40Å	Aromatic
C6	N	sing	1.40Å	1.42Å
C6	C5	doub	1.39Å	1.42Å	Aromatic
C4	C5	sing	1.38Å	1.41Å	Aromatic
N	C8	sing	1.35Å	1.37Å
F2	C9	sing	1.40Å	1.35Å
F	C9	sing	1.40Å	1.34Å
C8	O1	doub	1.21Å	1.22Å
C8	C9	sing	1.51Å	1.58Å
C9	F1	sing	1.40Å	1.33Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
N	H4	sing	0.97Å	1.00Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	119.6°	120.0°
C	C1	C2	119.0°	120.0°
C1	C	H5	109.5°	109.5°
C1	C	H6	109.4°	109.5°
C1	C	H7	109.5°	109.5°
O	C1	C2	121.4°	120.0°
C1	C2	C7	120.4°	120.1°
C1	C2	C3	119.9°	120.1°
C7	C2	C3	119.8°	119.7°
C2	C7	C6	120.4°	119.7°
C2	C7	H3	119.8°	120.1°
C2	C3	C4	118.9°	120.0°
C2	C3	H8	120.6°	120.0°
C7	C6	N	116.8°	120.0°
C7	C6	C5	119.8°	120.1°
C6	C7	H3	119.8°	120.2°
C3	C4	C5	122.9°	120.2°
C3	C4	H1	118.6°	119.9°
C4	C3	H8	120.6°	120.0°
N	C6	C5	123.3°	120.0°
C6	N	C8	123.7°	120.0°
C6	N	H4	118.1°	120.0°
C6	C5	C4	118.3°	120.3°
C6	C5	H2	120.9°	119.9°
C5	C4	H1	118.6°	119.9°
C4	C5	H2	120.8°	119.8°
N	C8	O1	126.6°	120.0°
N	C8	C9	114.9°	120.0°
C8	N	H4	118.2°	120.0°
F2	C9	F	103.2°	109.5°
F2	C9	C8	113.5°	109.5°
F2	C9	F1	106.2°	109.5°
F	C9	C8	115.7°	109.5°
F	C9	F1	106.3°	109.4°
O1	C8	C9	118.5°	120.0°
C8	C9	F1	111.1°	109.4°
H5	C	H6	109.5°	109.4°
H5	C	H7	109.4°	109.5°
H6	C	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	C2	179.5°	180.0°
C	C1	C2	C7	167.6°	180.0°
C	C1	C2	C3	10.4°	0.3°
C1	C	H5	H6	120.0°	120.0°
C1	C	H5	H7	120.0°	120.1°
C1	C	H6	H7	120.0°	120.0°
O	C1	C2	C7	11.9°	0.0°
O	C1	C2	C3	170.1°	179.7°
O	C1	C	H5	0.0°	0.0°
O	C1	C	H6	120.0°	120.0°
O	C1	C	H7	120.0°	120.0°
C1	C2	C7	C3	178.0°	179.7°
C1	C2	C7	C6	178.4°	180.0°
C1	C2	C3	C4	176.7°	179.7°
C1	C2	C7	H3	1.6°	0.1°
C2	C1	C	H5	179.5°	180.0°
C2	C1	C	H6	60.5°	60.0°
C2	C1	C	H7	59.5°	60.0°
C1	C2	C3	H8	3.3°	0.0°
C2	C7	C6	H3	180.0°	179.9°
C7	C2	C3	C4	1.3°	0.6°
C2	C7	C6	N	174.3°	179.9°
C2	C7	C6	C5	1.9°	0.0°
C7	C2	C3	H8	178.7°	179.7°
C3	C2	C7	C6	0.4°	0.3°
C2	C3	C4	H8	180.0°	179.7°
C2	C3	C4	C5	1.5°	0.6°
C2	C3	C4	H1	178.5°	179.7°
C3	C2	C7	H3	179.7°	179.7°
C7	C6	N	C5	176.1°	180.0°
C7	C6	C5	C4	1.8°	0.0°
C7	C6	N	C8	148.5°	35.1°
C7	C6	C5	H2	178.2°	180.0°
C7	C6	N	H4	31.5°	144.9°
C3	C4	C5	C6	0.1°	0.3°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	H2	180.0°	179.7°
N	C6	C5	C4	174.3°	180.0°
C6	N	C8	H4	180.0°	180.0°
C6	N	C8	O1	5.9°	4.6°
C6	N	C8	C9	177.4°	175.4°
N	C6	C5	H2	5.7°	0.0°
N	C6	C7	H3	5.6°	0.0°
C6	C5	C4	H2	180.0°	180.0°
C5	C6	N	C8	35.4°	144.9°
C6	C5	C4	H1	180.0°	180.0°
C5	C6	C7	H3	178.1°	180.0°
C5	C6	N	H4	144.6°	35.1°
C5	C4	C3	H8	178.5°	179.7°
N	C8	C9	F2	131.4°	60.1°
N	C8	C9	F	12.4°	60.0°
N	C8	O1	C9	176.6°	179.9°
N	C8	C9	F1	109.0°	180.0°
F2	C9	F	C8	124.5°	120.0°
F2	C9	F	F1	111.6°	120.0°
F2	C9	C8	O1	51.6°	120.0°
F2	C9	C8	F1	119.6°	120.0°
F	C9	C8	O1	170.7°	119.9°
F	C9	C8	F1	121.3°	120.0°
O1	C8	C9	F1	68.0°	0.0°
O1	C8	N	H4	174.1°	175.4°
C9	C8	N	H4	2.6°	4.7°
H1	C4	C5	H2	0.0°	0.0°
H1	C4	C3	H8	1.5°	0.0°
H5	C	H6	H7	120.0°	119.9°

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PDB entries from 2024-10-16

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