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Summary Geometry Related PDB entries

M1E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S10	C09	sing	1.76Å	1.71Å	Aromatic
S10	C11	sing	1.76Å	1.72Å	Aromatic
C09	C08	doub	1.32Å	1.39Å	Aromatic
N02	C01	sing	1.46Å	1.47Å
N02	C03	sing	1.39Å	1.45Å
C11	C03	doub	1.40Å	1.41Å	Aromatic
C11	C07	sing	1.40Å	1.38Å	Aromatic
C08	C07	sing	1.40Å	1.45Å	Aromatic
C03	N04	sing	1.33Å	1.34Å	Aromatic
C07	N06	doub	1.35Å	1.34Å	Aromatic
N04	C05	doub	1.32Å	1.32Å	Aromatic
N06	C05	sing	1.31Å	1.32Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C05	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
N02	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	S10	C11	97.5°	91.4°
S10	C09	C08	107.2°	110.7°
S10	C09	H6	126.4°	124.6°
S10	C11	C03	134.7°	131.6°
S10	C11	C07	107.3°	109.5°
C09	C08	C07	113.8°	115.8°
C09	C08	H5	123.1°	122.1°
C08	C09	H6	126.4°	124.7°
C01	N02	C03	119.4°	120.0°
N02	C01	H1	109.5°	109.4°
N02	C01	H2	109.5°	109.5°
N02	C01	H3	109.5°	109.5°
C01	N02	H7	107.0°	120.0°
N02	C03	C11	120.9°	120.6°
N02	C03	N04	119.5°	120.6°
C03	N02	H7	106.9°	120.0°
C03	C11	C07	118.0°	118.9°
C11	C03	N04	119.7°	118.8°
C11	C07	C08	114.1°	112.5°
C11	C07	N06	119.4°	117.8°
C08	C07	N06	126.5°	129.7°
C07	C08	H5	123.1°	122.1°
C03	N04	C05	119.3°	120.8°
C07	N06	C05	120.8°	121.1°
N04	C05	N06	122.9°	122.6°
N04	C05	H4	118.5°	118.7°
N06	C05	H4	118.6°	118.7°
H1	C01	H2	109.4°	109.5°
H1	C01	H3	109.5°	109.4°
H2	C01	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S10	C09	C08	H6	180.0°	180.0°
C09	S10	C11	C03	179.3°	179.9°
C09	S10	C11	C07	1.1°	0.0°
S10	C09	C08	C07	0.5°	0.0°
S10	C09	C08	H5	179.4°	179.9°
C11	S10	C09	C08	0.9°	0.0°
S10	C11	C03	N02	0.2°	0.2°
S10	C11	C03	C07	179.6°	179.9°
S10	C11	C07	C08	0.9°	0.0°
S10	C11	C03	N04	180.0°	180.0°
S10	C11	C07	N06	179.6°	180.0°
C11	S10	C09	H6	179.1°	180.0°
C09	C08	C07	C11	0.3°	0.0°
C09	C08	C07	H5	180.0°	179.9°
C09	C08	C07	N06	179.7°	180.0°
C01	N02	C03	H7	121.4°	180.0°
C01	N02	C03	C11	174.5°	179.8°
C01	N02	C03	N04	5.7°	0.0°
N02	C01	H1	H2	120.0°	120.0°
N02	C01	H1	H3	120.0°	120.0°
N02	C01	H2	H3	120.0°	120.1°
N02	C03	C11	N04	179.9°	179.8°
N02	C03	C11	C07	179.8°	179.7°
N02	C03	N04	C05	179.6°	179.8°
C03	N02	C01	H1	180.0°	60.0°
C03	N02	C01	H2	60.0°	60.0°
C03	N02	C01	H3	60.0°	179.9°
C03	C11	C07	C08	179.4°	179.9°
C03	C11	C07	N06	0.1°	0.1°
C11	C03	N04	C05	0.5°	0.1°
C11	C03	N02	H7	53.1°	0.2°
C11	C07	C08	N06	179.5°	180.0°
C07	C11	C03	N04	0.4°	0.1°
C11	C07	N06	C05	0.4°	0.0°
C11	C07	C08	H5	179.8°	179.9°
C08	C07	N06	C05	179.0°	180.0°
C07	C08	C09	H6	179.5°	180.0°
C03	N04	C05	N06	0.2°	0.0°
C03	N04	C05	H4	179.8°	179.9°
N04	C03	N02	H7	127.1°	180.0°
C07	N06	C05	N04	0.3°	0.0°
C07	N06	C05	H4	179.7°	179.9°
N06	C07	C08	H5	0.3°	0.1°
N04	C05	N06	H4	180.0°	179.9°
H1	C01	H2	H3	120.0°	119.9°
H1	C01	N02	H7	58.6°	120.0°
H2	C01	N02	H7	61.4°	120.0°
H3	C01	N02	H7	178.6°	0.0°
H5	C08	C09	H6	0.6°	0.1°

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