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Summary Geometry Related PDB entries

492

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	N18	sing	1.47Å	1.45Å
N18	HN18	sing	1.01Å	1.00Å
N18	HN1A	sing	1.01Å	1.00Å
C8	C17	sing	1.51Å	1.51Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C9	C8	doub	1.34Å	1.40Å	Aromatic
C8	S7	sing	1.76Å	1.79Å	Aromatic
C6	S7	sing	1.76Å	1.78Å	Aromatic
C10	C6	doub	1.35Å	1.39Å	Aromatic
C6	C1	sing	1.47Å	1.50Å	Aromatic
C10	C9	sing	1.38Å	1.41Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
S2	C1	sing	1.76Å	1.77Å	Aromatic
C1	C5	doub	1.35Å	1.39Å	Aromatic
S2	C3	sing	1.76Å	1.80Å	Aromatic
C3	C4	doub	1.34Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	N18	HN18	109.5°	111.0°
C17	N18	HN1A	109.5°	111.0°
N18	C17	C8	109.9°	109.5°
N18	C17	H17	109.3°	109.4°
N18	C17	H17A	109.3°	109.5°
HN18	N18	HN1A	109.5°	111.0°
C8	C17	H17	109.3°	109.5°
C8	C17	H17A	109.3°	109.5°
C17	C8	C9	135.2°	125.1°
C17	C8	S7	114.9°	125.1°
H17	C17	H17A	109.8°	109.5°
C9	C8	S7	109.9°	109.8°
C8	C9	C10	115.0°	115.1°
C8	C9	H9	122.5°	122.4°
C8	S7	C6	90.8°	91.0°
S7	C6	C10	111.7°	109.4°
S7	C6	C1	122.3°	125.3°
C10	C6	C1	126.0°	125.3°
C6	C10	C9	112.5°	114.7°
C6	C10	H10	123.7°	122.7°
C6	C1	S2	125.0°	125.3°
C6	C1	C5	124.1°	125.3°
C9	C10	H10	123.7°	122.7°
C10	C9	H9	122.5°	122.4°
S2	C1	C5	110.9°	109.4°
C1	S2	C3	91.9°	91.0°
C1	C5	C4	113.0°	114.7°
C1	C5	H5	123.5°	122.7°
S2	C3	C4	107.7°	109.8°
S2	C3	H3	126.2°	125.1°
C4	C3	H3	126.1°	125.0°
C3	C4	C5	116.6°	115.0°
C3	C4	H4	121.7°	122.5°
C5	C4	H4	121.7°	122.5°
C4	C5	H5	123.5°	122.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	N18	HN18	HN1A	120.0°	124.0°
N18	C17	C8	H17	120.0°	120.0°
N18	C17	C8	H17A	119.9°	120.0°
N18	C17	H17	H17A	119.8°	120.0°
N18	C17	C8	C9	146.2°	89.7°
N18	C17	C8	S7	33.4°	90.0°
HN18	N18	C17	C8	60.2°	180.0°
HN18	N18	C17	H17	179.8°	60.0°
HN18	N18	C17	H17A	59.6°	59.9°
HN1A	N18	C17	C8	179.8°	56.0°
HN1A	N18	C17	H17	59.8°	64.0°
HN1A	N18	C17	H17A	60.4°	176.0°
C8	C17	H17	H17A	119.8°	120.0°
C17	C8	C9	S7	179.5°	179.7°
C17	C8	S7	C6	179.3°	180.0°
C17	C8	C9	C10	179.5°	179.8°
C17	C8	C9	H9	0.5°	0.3°
H17	C17	C8	C9	93.8°	30.3°
H17	C17	C8	S7	86.6°	150.0°
H17A	C17	C8	C9	26.3°	150.3°
H17A	C17	C8	S7	153.2°	30.0°
C9	C8	S7	C6	0.3°	0.3°
C8	C9	C10	C6	0.3°	0.5°
C8	C9	C10	H9	180.0°	179.5°
C8	C9	C10	H10	179.7°	179.8°
C8	S7	C6	C10	0.5°	0.0°
C8	S7	C6	C1	179.5°	180.0°
S7	C8	C9	C10	0.0°	0.4°
S7	C8	C9	H9	180.0°	179.9°
S7	C6	C10	C1	178.9°	180.0°
S7	C6	C10	C9	0.6°	0.2°
S7	C6	C10	H10	179.4°	180.0°
S7	C6	C1	S2	163.6°	179.6°
S7	C6	C1	C5	16.0°	0.0°
C6	C10	C9	H10	180.0°	179.8°
C6	C10	C9	H9	179.7°	180.0°
C10	C6	C1	S2	15.3°	0.3°
C10	C6	C1	C5	165.2°	180.0°
C1	C6	C10	C9	179.5°	179.8°
C1	C6	C10	H10	0.5°	0.0°
C6	C1	S2	C5	179.6°	179.7°
C6	C1	S2	C3	178.9°	180.0°
C6	C1	C5	C4	179.1°	179.8°
C6	C1	C5	H5	0.9°	0.0°
H10	C10	C9	H9	0.3°	0.3°
C1	S2	C3	C4	0.6°	0.0°
C1	S2	C3	H3	179.4°	179.9°
S2	C1	C5	C4	0.5°	0.5°
S2	C1	C5	H5	179.5°	179.7°
C5	C1	S2	C3	0.7°	0.3°
C1	C5	C4	C3	0.0°	0.5°
C1	C5	C4	H5	180.0°	179.8°
C1	C5	C4	H4	180.0°	179.7°
S2	C3	C4	H3	180.0°	179.9°
S2	C3	C4	C5	0.5°	0.3°
S2	C3	C4	H4	179.5°	179.9°
C3	C4	C5	H4	180.0°	179.8°
C3	C4	C5	H5	180.0°	179.7°
H3	C3	C4	C5	179.5°	179.8°
H3	C3	C4	H4	0.5°	0.0°
H4	C4	C5	H5	0.0°	0.1°

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