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Summary Geometry Related PDB entries

ZSS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.52Å
S	C1	sing	1.81Å	1.83Å
C2	S	sing	1.76Å	1.76Å
N	C2	sing	1.38Å	1.33Å
N1	C2	doub	1.30Å	1.25Å
C1	C3	sing	1.51Å	1.51Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.38Å	1.37Å	Aromatic
C6	CL	sing	1.74Å	1.74Å
C7	C6	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C3	C8	sing	1.38Å	1.39Å	Aromatic
N1	H6	sing	0.97Å	1.00Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C5	H8	sing	1.08Å	1.08Å
C4	H7	sing	1.08Å	1.08Å
N	H4	sing	0.97Å	1.00Å
N	H5	sing	0.97Å	1.00Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	S	109.5°	109.5°
C	C1	C3	114.7°	109.5°
C	C1	H3	109.1°	109.5°
C1	C	H2	109.5°	109.4°
C1	C	H1	109.5°	109.5°
C1	C	H	109.4°	109.5°
C1	S	C2	104.4°	99.9°
S	C1	C3	108.0°	109.4°
S	C1	H3	105.8°	109.5°
S	C2	N	113.7°	120.0°
S	C2	N1	128.3°	120.0°
N	C2	N1	118.0°	120.0°
C2	N	H4	120.0°	120.0°
C2	N	H5	120.0°	119.9°
C2	N1	H6	112.0°	120.0°
C1	C3	C4	121.2°	120.0°
C1	C3	C8	120.4°	120.0°
C3	C1	H3	109.2°	109.5°
C3	C4	C5	121.0°	120.0°
C4	C3	C8	118.4°	120.1°
C3	C4	H7	119.5°	120.0°
C4	C5	C6	119.1°	120.0°
C4	C5	H8	120.5°	120.0°
C5	C4	H7	119.5°	120.0°
C5	C6	CL	119.3°	120.0°
C5	C6	C7	121.3°	120.0°
C6	C5	H8	120.4°	120.0°
CL	C6	C7	119.4°	120.0°
C6	C7	C8	119.1°	120.0°
C6	C7	H9	120.5°	120.0°
C7	C8	C3	121.1°	120.0°
C8	C7	H9	120.5°	120.0°
C7	C8	H10	119.4°	120.0°
C3	C8	H10	119.5°	120.1°
H4	N	H5	120.0°	120.0°
H2	C	H1	109.5°	109.5°
H2	C	H	109.5°	109.4°
H1	C	H	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	S	C3	125.6°	120.0°
C	C1	S	H3	117.5°	120.0°
C	C1	S	C2	74.9°	65.0°
C	C1	C3	H3	122.9°	120.1°
C	C1	C3	C4	39.9°	120.0°
C	C1	C3	C8	141.5°	60.0°
C1	C	H2	H1	120.0°	120.1°
C1	C	H2	H	120.0°	119.9°
C1	C	H1	H	120.0°	120.1°
C1	S	C2	N	165.1°	180.0°
C1	S	C2	N1	14.7°	0.0°
S	C1	C3	H3	114.7°	120.0°
S	C1	C3	C4	82.5°	120.0°
S	C1	C3	C8	96.1°	60.0°
S	C1	C	H2	180.0°	180.0°
S	C1	C	H1	60.0°	60.0°
S	C1	C	H	60.0°	60.1°
S	C2	N	N1	179.8°	180.0°
C2	S	C1	C3	159.5°	175.0°
S	C2	N1	H6	179.8°	180.0°
C2	S	C1	H3	42.6°	55.0°
S	C2	N	H4	179.8°	180.0°
S	C2	N	H5	0.1°	0.0°
N	C2	N1	H6	0.0°	0.0°
C2	N	H4	H5	179.9°	180.0°
N1	C2	N	H4	0.0°	0.0°
N1	C2	N	H5	180.0°	180.0°
C1	C3	C4	C8	178.6°	180.0°
C1	C3	C4	C5	177.8°	179.7°
C1	C3	C8	C7	177.4°	180.0°
C1	C3	C8	H10	2.5°	0.0°
C1	C3	C4	H7	2.2°	0.2°
C3	C1	C	H2	58.3°	60.0°
C3	C1	C	H1	61.7°	60.0°
C3	C1	C	H	178.4°	180.0°
C3	C4	C5	H7	180.0°	179.5°
C3	C4	C5	C6	0.7°	0.5°
C4	C3	C8	C7	1.2°	0.0°
C4	C3	C8	H10	178.8°	180.0°
C4	C3	C1	H3	162.8°	0.0°
C3	C4	C5	H8	179.3°	180.0°
C4	C5	C6	H8	180.0°	179.5°
C4	C5	C6	CL	174.8°	179.4°
C4	C5	C6	C7	2.0°	0.5°
C5	C4	C3	C8	0.9°	0.3°
C5	C6	CL	C7	176.9°	179.9°
C5	C6	C7	C8	1.7°	0.2°
C5	C6	C7	H9	178.3°	180.0°
C6	C5	C4	H7	179.3°	180.0°
CL	C6	C7	C8	175.2°	179.7°
CL	C6	C7	H9	4.8°	0.1°
CL	C6	C5	H8	5.2°	0.0°
C6	C7	C8	H9	180.0°	179.8°
C6	C7	C8	C3	0.0°	0.0°
C6	C7	C8	H10	179.9°	179.9°
C7	C6	C5	H8	178.0°	179.9°
C7	C8	C3	H10	180.0°	180.0°
C3	C8	C7	H9	180.0°	179.7°
C8	C3	C1	H3	18.6°	180.0°
C8	C3	C4	H7	179.2°	179.8°
H9	C7	C8	H10	0.1°	0.3°
H3	C1	C	H2	64.6°	60.0°
H3	C1	C	H1	175.4°	180.0°
H3	C1	C	H	55.4°	59.9°
H8	C5	C4	H7	0.7°	0.5°
H2	C	H1	H	120.0°	120.0°

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