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Summary Geometry Related PDB entries

TMZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C2	sing	1.74Å	1.75Å	Aromatic
S1	C5	sing	1.79Å	1.70Å	Aromatic
C2	N3	doub	1.31Å	1.35Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
N3	C4	sing	1.32Å	1.42Å	Aromatic
N3	C6	sing	1.46Å	1.35Å
C4	C5	doub	1.36Å	1.38Å	Aromatic
C4	C7	sing	1.51Å	1.48Å
C5	C8	sing	1.51Å	1.51Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.11Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C7	H73	sing	1.09Å	1.12Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.12Å
C8	H83	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S1	C5	93.3°	97.4°
S1	C2	N3	110.4°	102.2°
S1	C2	H2	135.5°	129.0°
S1	C5	C4	108.9°	100.6°
S1	C5	C8	120.1°	129.7°
N3	C2	H2	114.1°	128.9°
C2	N3	C4	112.4°	121.4°
C2	N3	C6	123.4°	119.3°
C4	N3	C6	124.2°	119.3°
N3	C4	C5	115.0°	118.4°
N3	C4	C7	116.5°	120.8°
N3	C6	H61	123.4°	109.5°
N3	C6	H62	107.3°	109.5°
N3	C6	H63	107.3°	109.5°
C5	C4	C7	128.1°	120.8°
C4	C5	C8	130.6°	129.7°
C4	C7	H71	116.5°	109.5°
C4	C7	H72	109.7°	109.4°
C4	C7	H73	109.7°	109.4°
C5	C8	H81	120.1°	109.5°
C5	C8	H82	108.4°	109.5°
C5	C8	H83	108.5°	109.5°
H61	C6	H62	107.2°	109.5°
H61	C6	H63	107.2°	109.4°
H62	C6	H63	102.5°	109.4°
H71	C7	H72	109.6°	109.5°
H71	C7	H73	109.6°	109.5°
H72	C7	H73	100.5°	109.5°
H81	C8	H82	108.3°	109.5°
H81	C8	H83	108.4°	109.4°
H82	C8	H83	101.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C2	N3	H2	180.0°	179.9°
S1	C2	N3	C4	0.6°	0.2°
S1	C2	N3	C6	177.9°	180.0°
C2	S1	C5	C4	3.0°	0.2°
C2	S1	C5	C8	176.4°	180.0°
C5	S1	C2	N3	1.4°	0.0°
C5	S1	C2	H2	178.6°	180.0°
S1	C5	C4	N3	4.0°	0.4°
S1	C5	C4	C8	172.4°	179.8°
S1	C5	C4	C7	176.3°	180.0°
S1	C5	C8	H81	180.0°	0.0°
S1	C5	C8	H82	54.8°	120.0°
S1	C5	C8	H83	54.7°	120.0°
C2	N3	C4	C6	178.5°	179.8°
C2	N3	C4	C5	3.1°	0.4°
C2	N3	C4	C7	176.3°	180.0°
C2	N3	C6	H61	180.0°	95.8°
C2	N3	C6	H62	54.8°	144.1°
C2	N3	C6	H63	54.8°	24.1°
H2	C2	N3	C4	179.4°	179.7°
H2	C2	N3	C6	2.1°	0.1°
N3	C4	C5	C7	172.2°	179.6°
N3	C4	C5	C8	176.4°	179.8°
C4	N3	C6	H61	1.6°	84.0°
C4	N3	C6	H62	126.9°	36.1°
C4	N3	C6	H63	123.6°	156.1°
N3	C4	C7	H71	180.0°	84.2°
N3	C4	C7	H72	54.7°	155.8°
N3	C4	C7	H73	54.7°	35.8°
C6	N3	C4	C5	175.5°	179.8°
C6	N3	C4	C7	2.3°	0.2°
N3	C6	H61	H62	125.3°	120.1°
N3	C6	H61	H63	125.2°	120.0°
N3	C6	H62	H63	112.8°	120.0°
C5	C4	C7	H71	7.9°	96.2°
C5	C4	C7	H72	133.1°	23.8°
C5	C4	C7	H73	117.4°	143.7°
C4	C5	C8	H81	8.3°	179.7°
C4	C5	C8	H82	133.5°	60.2°
C4	C5	C8	H83	117.0°	59.8°
C7	C4	C5	C8	11.3°	0.2°
C4	C7	H71	H72	125.3°	120.0°
C4	C7	H71	H73	125.3°	120.0°
C4	C7	H72	H73	115.5°	119.9°
C5	C8	H81	H82	125.3°	120.1°
C5	C8	H81	H83	125.3°	120.0°
C5	C8	H82	H83	114.1°	120.0°
H61	C6	H62	H63	112.7°	119.9°
H71	C7	H72	H73	115.4°	120.1°
H81	C8	H82	H83	114.0°	120.0°

225158

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