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Summary Geometry Related PDB entries

SZ7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C3	doub	1.34Å	1.35Å	Aromatic
C	C1	sing	1.38Å	1.41Å	Aromatic
C3	S	sing	1.76Å	1.65Å	Aromatic
C1	C2	doub	1.36Å	1.36Å	Aromatic
S	C2	sing	1.76Å	1.72Å	Aromatic
C2	C4	sing	1.47Å	1.44Å
C4	N	doub	1.30Å	1.28Å
N	N1	sing	1.40Å	1.38Å
N1	C5	sing	1.35Å	1.35Å
C8	C6	sing	1.53Å	1.48Å
C8	C7	sing	1.53Å	1.46Å
C5	C6	sing	1.51Å	1.48Å
C5	O	doub	1.21Å	1.22Å
C6	C7	sing	1.53Å	1.49Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.09Å	1.10Å
N1	H3	sing	0.97Å	1.00Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C	C1	111.7°	115.2°
C	C3	S	113.6°	110.0°
C	C3	H9	123.2°	125.0°
C3	C	H10	124.2°	122.4°
C	C1	C2	112.1°	114.4°
C	C1	H8	123.9°	122.8°
C1	C	H10	124.2°	122.4°
C3	S	C2	91.8°	91.1°
S	C3	H9	123.2°	125.0°
C1	C2	S	110.8°	109.4°
C1	C2	C4	126.9°	125.3°
C2	C1	H8	123.9°	122.8°
S	C2	C4	122.1°	125.3°
C2	C4	N	120.8°	120.0°
C2	C4	H1	119.6°	120.0°
C4	N	N1	116.3°	120.0°
N	C4	H1	119.6°	120.0°
N	N1	C5	120.3°	120.0°
N	N1	H3	119.8°	120.0°
N1	C5	C6	113.5°	120.0°
N1	C5	O	124.4°	120.0°
C5	N1	H3	119.9°	120.0°
C6	C8	C7	61.0°	60.0°
C8	C6	C5	116.6°	117.5°
C8	C6	C7	58.8°	60.0°
C8	C6	H2	117.1°	117.5°
C6	C8	H6	119.8°	117.5°
C6	C8	H7	119.8°	117.5°
C8	C7	C6	60.2°	60.0°
C8	C7	H4	120.0°	117.5°
C8	C7	H5	120.0°	117.5°
C7	C8	H6	119.8°	117.5°
C7	C8	H7	119.8°	117.5°
C6	C5	O	122.1°	120.0°
C5	C6	C7	117.7°	117.5°
C5	C6	H2	117.1°	115.5°
C7	C6	H2	116.8°	117.5°
C6	C7	H4	119.9°	117.5°
C6	C7	H5	120.0°	117.5°
H4	C7	H5	109.5°	115.6°
H6	C8	H7	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C	C1	H10	180.0°	179.8°
C	C3	S	H9	180.0°	179.8°
C3	C	C1	C2	0.8°	0.1°
C	C3	S	C2	0.5°	0.2°
C3	C	C1	H8	179.1°	179.9°
C1	C	C3	S	0.1°	0.1°
C	C1	C2	H8	180.0°	180.0°
C	C1	C2	S	1.2°	0.3°
C	C1	C2	C4	174.7°	179.9°
C1	C	C3	H9	179.9°	180.0°
C3	S	C2	C1	1.0°	0.3°
C3	S	C2	C4	175.2°	180.0°
S	C3	C	H10	179.9°	180.0°
C1	C2	S	C4	176.1°	179.7°
C1	C2	C4	N	155.0°	180.0°
C1	C2	C4	H1	25.0°	0.3°
C2	C1	C	H10	179.1°	179.8°
S	C2	C4	N	29.5°	0.4°
S	C2	C4	H1	150.5°	179.9°
S	C2	C1	H8	178.8°	179.7°
C2	S	C3	H9	179.5°	179.9°
C2	C4	N	H1	180.0°	179.7°
C2	C4	N	N1	165.7°	179.7°
C4	C2	C1	H8	5.3°	0.0°
C4	N	N1	C5	169.2°	180.0°
C4	N	N1	H3	10.8°	0.0°
N	N1	C5	H3	180.0°	179.9°
N	N1	C5	C6	2.1°	180.0°
N	N1	C5	O	179.6°	0.0°
N1	N	C4	H1	14.3°	0.0°
N1	C5	C6	C8	58.4°	111.4°
N1	C5	C6	O	178.3°	180.0°
N1	C5	C6	C7	125.4°	180.0°
N1	C5	C6	H2	87.3°	34.3°
C6	C8	C7	H6	109.7°	107.5°
C6	C8	C7	H7	109.7°	107.5°
C8	C6	C5	C7	67.0°	68.6°
C8	C6	C5	H2	145.8°	145.7°
C8	C6	C5	O	123.3°	68.7°
C8	C6	C7	H2	106.9°	107.5°
C6	C8	C7	H4	109.5°	107.5°
C6	C8	C7	H5	109.5°	107.5°
C6	C8	H6	H7	144.2°	145.7°
C8	C7	H4	H5	144.7°	145.7°
C7	C8	H6	H7	144.2°	145.7°
C5	C6	C7	H2	147.3°	145.0°
C6	C5	N1	H3	177.9°	0.0°
C5	C6	C7	H4	144.6°	0.0°
C5	C6	C7	H5	3.7°	145.0°
C5	C6	C8	H6	142.5°	145.0°
C5	C6	C8	H7	2.0°	0.1°
O	C5	C6	C7	56.3°	0.0°
O	C5	C6	H2	91.0°	145.6°
O	C5	N1	H3	0.4°	179.9°
C6	C7	H4	H5	144.7°	145.6°
H2	C6	C7	H4	2.7°	144.9°
H2	C6	C7	H5	143.6°	0.0°
H2	C6	C8	H6	3.3°	0.0°
H2	C6	C8	H7	143.8°	145.0°
H4	C7	C8	H6	0.3°	145.0°
H4	C7	C8	H7	140.8°	0.0°
H5	C7	C8	H6	140.7°	0.0°
H5	C7	C8	H7	0.2°	145.1°
H8	C1	C	H10	0.9°	0.3°
H9	C3	C	H10	0.1°	0.2°

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