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Summary Geometry Related PDB entries

7SF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O35	S34	doub	1.42Å	1.44Å
C38	C39	doub	1.38Å	1.41Å	Aromatic
C38	C37	sing	1.38Å	1.37Å	Aromatic
S34	C37	sing	1.76Å	1.70Å
S34	O36	doub	1.42Å	1.42Å
C39	C40	sing	1.38Å	1.38Å	Aromatic
C37	C43	doub	1.38Å	1.39Å	Aromatic
C40	CL1	sing	1.74Å	1.82Å
C40	C42	doub	1.38Å	1.37Å	Aromatic
C43	C42	sing	1.38Å	1.41Å	Aromatic
C42	C44	sing	1.51Å	1.49Å
C44	F47	sing	1.40Å	1.33Å
C44	F45	sing	1.40Å	1.35Å
C44	F46	sing	1.40Å	1.33Å
C43	H2	sing	1.08Å	1.08Å
C39	H3	sing	1.08Å	1.08Å
C38	H4	sing	1.08Å	1.08Å
S34	O1	sing	1.52Å	1.65Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O35	S34	C37	107.5°	106.4°
O35	S34	O36	122.3°	123.2°
O35	S34	O1	102.4°	106.4°
C39	C38	C37	119.7°	120.0°
C38	C39	C40	119.5°	120.0°
C38	C39	H3	120.3°	120.0°
C39	C38	H4	120.2°	120.0°
C38	C37	S34	122.5°	120.0°
C38	C37	C43	117.6°	120.1°
C37	C38	H4	120.1°	120.0°
C37	S34	O36	106.5°	106.4°
S34	C37	C43	119.8°	120.0°
C37	S34	O1	107.0°	107.2°
O36	S34	O1	110.3°	106.4°
C39	C40	CL1	119.2°	120.0°
C39	C40	C42	123.7°	120.0°
C40	C39	H3	120.3°	120.0°
C37	C43	C42	125.2°	120.0°
C37	C43	H2	117.4°	120.0°
CL1	C40	C42	116.9°	120.0°
C40	C42	C43	114.0°	120.0°
C40	C42	C44	126.9°	120.0°
C43	C42	C44	118.7°	120.0°
C42	C43	H2	117.4°	120.0°
C42	C44	F47	113.2°	109.5°
C42	C44	F45	108.4°	109.5°
C42	C44	F46	115.2°	109.5°
F47	C44	F45	107.3°	109.5°
F47	C44	F46	106.6°	109.5°
F45	C44	F46	105.6°	109.4°
S34	O1	H1	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O35	S34	C37	C38	14.8°	156.2°
O35	S34	C37	O36	132.7°	133.0°
O35	S34	C37	O1	109.4°	113.5°
O35	S34	O36	O1	120.3°	122.9°
O35	S34	C37	C43	164.7°	23.5°
O35	S34	O1	H1	0.0°	66.4°
C39	C38	C37	H4	180.0°	179.4°
C39	C38	C37	S34	179.9°	179.7°
C38	C39	C40	H3	180.0°	179.7°
C39	C38	C37	C43	0.6°	0.6°
C38	C39	C40	CL1	178.8°	179.7°
C38	C39	C40	C42	4.2°	0.3°
C38	C37	S34	C43	179.5°	179.7°
C38	C37	S34	O36	147.5°	23.2°
C37	C38	C39	C40	0.9°	0.6°
C38	C37	C43	C42	0.9°	0.2°
C38	C37	C43	H2	179.0°	179.7°
C37	C38	C39	H3	179.1°	179.7°
C38	C37	S34	O1	94.6°	90.3°
C37	S34	O36	O1	115.7°	114.1°
S34	C37	C43	C42	178.6°	180.0°
S34	C37	C43	H2	1.4°	0.0°
S34	C37	C38	H4	0.2°	0.3°
C37	S34	O1	H1	112.9°	180.0°
O36	S34	C37	C43	32.0°	156.5°
O36	S34	O1	H1	131.7°	66.5°
C39	C40	CL1	C42	175.0°	180.0°
C39	C40	C42	C43	5.3°	0.0°
C39	C40	C42	C44	178.1°	180.0°
C40	C39	C38	H4	179.1°	180.0°
C37	C43	C42	C40	3.8°	0.0°
C37	C43	C42	H2	180.0°	180.0°
C37	C43	C42	C44	177.2°	180.0°
C43	C37	C38	H4	179.4°	180.0°
C43	C37	S34	O1	85.9°	90.0°
CL1	C40	C42	C43	179.9°	180.0°
CL1	C40	C42	C44	7.2°	0.0°
CL1	C40	C39	H3	1.3°	0.0°
C40	C42	C43	C44	173.4°	180.0°
C40	C42	C44	F47	59.7°	180.0°
C40	C42	C44	F45	59.2°	60.0°
C40	C42	C44	F46	177.2°	60.0°
C40	C42	C43	H2	176.2°	180.0°
C42	C40	C39	H3	175.9°	180.0°
C43	C42	C44	F47	127.9°	0.0°
C43	C42	C44	F45	113.2°	120.0°
C43	C42	C44	F46	4.8°	120.0°
C42	C44	F47	F45	119.5°	120.0°
C42	C44	F47	F46	127.8°	120.0°
C42	C44	F45	F46	124.0°	120.0°
C44	C42	C43	H2	2.8°	0.0°
F47	C44	F45	F46	113.4°	120.0°
H3	C39	C38	H4	0.8°	0.3°

222415

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