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Summary Geometry Related PDB entries

8MN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	doub	1.38Å	1.38Å	Aromatic
C	C5	sing	1.39Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.37Å	Aromatic
S	C5	sing	1.76Å	1.77Å
S	C6	sing	1.81Å	1.80Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
O	C7	doub	1.21Å	1.23Å
C2	CL	sing	1.74Å	1.74Å
C2	C3	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.51Å	1.51Å
C4	C3	sing	1.38Å	1.38Å	Aromatic
C7	N	sing	1.35Å	1.33Å
N	N1	sing	1.37Å	1.41Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
N1	H4	sing	1.01Å	1.00Å
N1	H5	sing	1.01Å	1.00Å
C1	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
C	H8	sing	1.08Å	1.08Å
N	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C	C5	120.2°	120.0°
C	C1	C2	119.3°	120.0°
C	C1	H6	120.3°	120.0°
C1	C	H8	119.9°	120.0°
C	C5	S	120.2°	120.1°
C	C5	C4	119.7°	119.8°
C5	C	H8	119.9°	120.0°
C1	C2	CL	119.3°	119.9°
C1	C2	C3	121.5°	120.1°
C2	C1	H6	120.4°	120.0°
C5	S	C6	101.5°	103.0°
S	C5	C4	120.1°	120.1°
S	C6	C7	112.4°	109.5°
S	C6	H2	108.8°	109.5°
S	C6	H3	108.8°	109.5°
C5	C4	C3	120.3°	119.9°
C5	C4	H1	119.8°	120.0°
O	C7	C6	122.0°	120.0°
O	C7	N	123.6°	120.0°
CL	C2	C3	119.2°	119.9°
C2	C3	C4	119.0°	120.1°
C2	C3	H7	120.5°	120.0°
C6	C7	N	114.4°	120.0°
C7	C6	H2	108.7°	109.5°
C7	C6	H3	108.7°	109.5°
C3	C4	H1	119.8°	120.1°
C4	C3	H7	120.5°	119.9°
C7	N	N1	123.4°	120.0°
C7	N	H9	118.3°	120.0°
N	N1	H4	109.5°	110.9°
N	N1	H5	109.4°	111.0°
N1	N	H9	118.3°	120.0°
H2	C6	H3	109.5°	109.5°
H4	N1	H5	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C	C5	H8	180.0°	179.7°
C	C1	C2	H6	180.0°	180.0°
C1	C	C5	S	177.9°	180.0°
C1	C	C5	C4	0.8°	0.0°
C	C1	C2	CL	179.7°	180.0°
C	C1	C2	C3	0.5°	0.5°
C5	C	C1	C2	0.3°	0.3°
C	C5	S	C4	178.7°	179.9°
C	C5	S	C6	179.4°	0.0°
C	C5	C4	C3	0.7°	0.0°
C	C5	C4	H1	179.3°	179.7°
C5	C	C1	H6	179.7°	179.7°
C1	C2	CL	C3	179.8°	179.5°
C1	C2	C3	C4	0.7°	0.5°
C1	C2	C3	H7	179.3°	179.4°
C2	C1	C	H8	179.7°	180.0°
C5	S	C6	C7	146.1°	180.0°
S	C5	C4	C3	178.0°	180.0°
S	C5	C4	H1	2.0°	0.3°
C5	S	C6	H2	93.5°	60.0°
C5	S	C6	H3	25.6°	60.0°
S	C5	C	H8	2.1°	0.3°
C6	S	C5	C4	0.7°	180.0°
S	C6	C7	O	35.9°	0.0°
S	C6	C7	H2	120.4°	120.0°
S	C6	C7	H3	120.5°	120.0°
S	C6	C7	N	143.8°	180.0°
S	C6	H2	H3	118.7°	120.0°
C5	C4	C3	C2	0.1°	0.3°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	H7	179.9°	179.7°
C4	C5	C	H8	179.2°	179.8°
O	C7	C6	N	179.7°	180.0°
O	C7	N	N1	1.2°	0.0°
O	C7	C6	H2	84.5°	120.0°
O	C7	C6	H3	156.4°	120.0°
O	C7	N	H9	178.8°	180.0°
CL	C2	C3	C4	179.6°	180.0°
CL	C2	C1	H6	0.2°	0.0°
CL	C2	C3	H7	0.5°	0.0°
C2	C3	C4	H7	180.0°	180.0°
C2	C3	C4	H1	179.9°	180.0°
C3	C2	C1	H6	179.5°	179.5°
C6	C7	N	N1	178.5°	180.0°
C7	C6	H2	H3	118.7°	120.0°
C6	C7	N	H9	1.5°	0.1°
C7	N	N1	H9	180.0°	179.9°
N	C7	C6	H2	95.8°	60.0°
N	C7	C6	H3	23.3°	60.0°
C7	N	N1	H4	180.0°	179.9°
C7	N	N1	H5	60.0°	56.1°
N	N1	H4	H5	120.0°	123.9°
H1	C4	C3	H7	0.1°	0.0°
H4	N1	N	H9	0.0°	0.0°
H5	N1	N	H9	120.0°	123.8°
H6	C1	C	H8	0.3°	0.0°

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