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Summary Geometry Related PDB entries

V8I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O8	C1	doub	1.22Å	1.25Å
O9	C1	sing	1.35Å	1.22Å
C1	C2	sing	1.48Å	1.49Å
CL15	C3	sing	1.74Å	1.65Å
C2	C3	doub	1.40Å	1.39Å	Aromatic
C2	C7	sing	1.40Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.40Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
C4	C5	doub	1.39Å	1.38Å	Aromatic
C6	C5	sing	1.39Å	1.39Å	Aromatic
C6	S10	sing	1.76Å	1.77Å
C5	CL14	sing	1.74Å	1.73Å
N11	S10	sing	1.66Å	1.54Å
O13	S10	doub	1.42Å	1.43Å
S10	O12	doub	1.42Å	1.45Å
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
O9	H3	sing	0.97Å	0.95Å
N11	H4	sing	0.97Å	1.00Å
N11	H5	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O8	C1	O9	122.9°	120.0°
O8	C1	C2	115.8°	120.0°
O9	C1	C2	119.6°	120.0°
C1	O9	H3	109.5°	117.1°
C1	C2	C3	122.8°	120.2°
C1	C2	C7	116.9°	120.1°
CL15	C3	C2	123.3°	120.1°
CL15	C3	C4	116.6°	120.1°
C3	C2	C7	119.8°	119.7°
C2	C3	C4	119.6°	119.9°
C2	C7	C6	121.7°	119.9°
C2	C7	H2	119.1°	120.1°
C3	C4	C5	119.2°	120.1°
C3	C4	H1	120.4°	120.0°
C7	C6	C5	117.9°	120.2°
C7	C6	S10	119.6°	119.9°
C6	C7	H2	119.2°	120.1°
C4	C5	C6	121.7°	120.3°
C4	C5	CL14	117.2°	119.9°
C5	C4	H1	120.4°	119.9°
C5	C6	S10	122.3°	119.9°
C6	C5	CL14	121.1°	119.9°
C6	S10	N11	108.1°	107.2°
C6	S10	O13	103.5°	106.4°
C6	S10	O12	105.8°	106.4°
N11	S10	O13	109.8°	106.4°
N11	S10	O12	111.5°	106.4°
S10	N11	H4	109.5°	120.0°
S10	N11	H5	109.4°	120.0°
O13	S10	O12	117.3°	123.1°
H4	N11	H5	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O8	C1	O9	C2	164.6°	179.6°
O8	C1	C2	C3	52.9°	0.0°
O8	C1	C2	C7	118.8°	179.7°
O8	C1	O9	H3	0.0°	0.4°
O9	C1	C2	C3	141.4°	179.7°
O9	C1	C2	C7	46.9°	0.6°
C1	C2	C3	CL15	11.3°	0.1°
C1	C2	C3	C7	171.4°	179.7°
C1	C2	C3	C4	176.1°	180.0°
C1	C2	C7	C6	175.0°	179.7°
C1	C2	C7	H2	5.0°	0.0°
C2	C1	O9	H3	164.6°	180.0°
CL15	C3	C2	C4	172.6°	180.0°
CL15	C3	C2	C7	177.3°	179.8°
CL15	C3	C4	C5	177.7°	180.0°
CL15	C3	C4	H1	2.2°	0.0°
C3	C2	C7	C6	3.1°	0.6°
C2	C3	C4	C5	4.7°	0.0°
C2	C3	C4	H1	175.3°	180.0°
C3	C2	C7	H2	176.9°	179.7°
C7	C2	C3	C4	4.7°	0.3°
C2	C7	C6	H2	180.0°	179.7°
C2	C7	C6	C5	1.4°	0.7°
C2	C7	C6	S10	176.9°	179.7°
C3	C4	C5	H1	180.0°	180.0°
C3	C4	C5	C6	3.0°	0.1°
C3	C4	C5	CL14	178.7°	180.0°
C7	C6	C5	C4	1.4°	0.4°
C7	C6	C5	S10	175.4°	179.7°
C7	C6	C5	CL14	179.6°	179.7°
C7	C6	S10	N11	3.0°	115.3°
C7	C6	S10	O13	113.5°	1.7°
C7	C6	S10	O12	122.6°	131.2°
C4	C5	C6	CL14	178.2°	179.9°
C4	C5	C6	S10	176.8°	179.9°
C5	C6	S10	N11	178.3°	65.0°
C5	C6	S10	O13	61.8°	178.6°
C5	C6	S10	O12	62.1°	48.5°
C6	C5	C4	H1	176.9°	179.9°
C5	C6	C7	H2	178.6°	179.6°
S10	C6	C5	CL14	5.0°	0.0°
C6	S10	N11	O13	112.3°	113.6°
C6	S10	N11	O12	115.9°	113.5°
C6	S10	O13	O12	116.0°	123.0°
S10	C6	C7	H2	3.1°	0.0°
C6	S10	N11	H4	180.0°	0.1°
C6	S10	N11	H5	60.0°	180.0°
CL14	C5	C4	H1	1.3°	0.0°
N11	S10	O13	O12	128.7°	122.9°
S10	N11	H4	H5	120.0°	179.9°
O13	S10	N11	H4	67.7°	113.5°
O13	S10	N11	H5	52.3°	66.4°
O12	S10	N11	H4	64.1°	113.6°
O12	S10	N11	H5	175.9°	66.5°

251801

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