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Summary Geometry Related PDB entries

LC9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C8	doub	1.37Å	1.38Å	Aromatic
C7	C6	sing	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.40Å	1.40Å	Aromatic
N1	C1	sing	1.47Å	1.47Å
C6	C5	doub	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.51Å	1.50Å
C9	C2	sing	1.46Å	1.44Å	Aromatic
C9	C4	doub	1.41Å	1.41Å	Aromatic
C2	C3	doub	1.34Å	1.37Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C4	N2	sing	1.38Å	1.37Å	Aromatic
C3	N2	sing	1.37Å	1.37Å	Aromatic
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C5	H7	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
N1	H1	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
N2	H6	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	C6	121.3°	120.5°
C7	C8	C9	118.9°	119.8°
C7	C8	H10	120.5°	120.1°
C8	C7	H9	119.3°	119.8°
C7	C6	C5	121.5°	120.6°
C7	C6	H8	119.3°	119.7°
C6	C7	H9	119.4°	119.7°
C8	C9	C2	134.3°	134.1°
C8	C9	C4	118.7°	119.9°
C9	C8	H10	120.5°	120.1°
N1	C1	C2	112.5°	109.4°
N1	C1	H3	108.7°	109.5°
N1	C1	H4	108.7°	109.5°
C1	N1	H1	109.5°	111.0°
C1	N1	H2	109.5°	111.1°
C6	C5	C4	117.3°	119.8°
C5	C6	H8	119.2°	119.7°
C6	C5	H7	121.4°	120.1°
C1	C2	C9	126.8°	126.5°
C1	C2	C3	127.0°	126.5°
C2	C1	H3	108.7°	109.5°
C2	C1	H4	108.7°	109.5°
C2	C9	C4	107.1°	106.0°
C9	C2	C3	106.2°	107.0°
C9	C4	C5	122.3°	119.3°
C9	C4	N2	107.4°	107.1°
C2	C3	N2	110.1°	109.9°
C2	C3	H5	124.9°	125.0°
C5	C4	N2	130.3°	133.5°
C4	C5	H7	121.4°	120.1°
C4	N2	C3	109.2°	109.9°
C4	N2	H6	125.4°	125.1°
N2	C3	H5	124.9°	125.1°
C3	N2	H6	125.4°	125.0°
H3	C1	H4	109.5°	109.5°
H1	N1	H2	109.4°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	C6	H9	180.0°	180.0°
C7	C8	C9	H10	180.0°	179.9°
C8	C7	C6	C5	0.0°	0.0°
C7	C8	C9	C2	180.0°	179.9°
C7	C8	C9	C4	0.0°	0.8°
C8	C7	C6	H8	180.0°	179.7°
C6	C7	C8	C9	0.0°	0.5°
C7	C6	C5	H8	180.0°	179.7°
C7	C6	C5	C4	0.0°	0.3°
C6	C7	C8	H10	180.0°	179.6°
C7	C6	C5	H7	180.0°	179.7°
C8	C9	C2	C1	0.2°	0.6°
C8	C9	C2	C4	180.0°	179.3°
C8	C9	C2	C3	180.0°	179.3°
C8	C9	C4	C5	0.0°	0.6°
C8	C9	C4	N2	180.0°	179.5°
C9	C8	C7	H9	180.0°	179.5°
N1	C1	C2	H3	120.5°	120.0°
N1	C1	C2	H4	120.4°	120.0°
N1	C1	C2	C9	109.6°	80.0°
N1	C1	C2	C3	70.3°	100.1°
N1	C1	H3	H4	118.6°	120.0°
C1	N1	H1	H2	120.0°	124.0°
C6	C5	C4	C9	0.0°	0.1°
C6	C5	C4	H7	180.0°	180.0°
C6	C5	C4	N2	180.0°	179.9°
C5	C6	C7	H9	180.0°	180.0°
C1	C2	C9	C3	179.9°	179.9°
C1	C2	C9	C4	179.8°	179.9°
C1	C2	C3	N2	179.8°	180.0°
C2	C1	H3	H4	118.6°	120.0°
C1	C2	C3	H5	0.2°	0.1°
C2	C1	N1	H1	180.0°	180.0°
C2	C1	N1	H2	60.0°	56.1°
C2	C9	C4	C5	180.0°	179.9°
C2	C9	C4	N2	0.0°	0.0°
C9	C2	C3	N2	0.1°	0.0°
C9	C2	C1	H3	130.0°	160.0°
C9	C2	C1	H4	10.9°	40.0°
C2	C9	C8	H10	0.0°	0.0°
C9	C2	C3	H5	179.9°	180.0°
C4	C9	C2	C3	0.0°	0.0°
C9	C4	C5	N2	179.9°	179.9°
C9	C4	N2	C3	0.1°	0.1°
C4	C9	C8	H10	180.0°	179.3°
C9	C4	C5	H7	180.0°	179.9°
C9	C4	N2	H6	179.9°	180.0°
C2	C3	N2	C4	0.1°	0.1°
C2	C3	N2	H5	180.0°	179.9°
C3	C2	C1	H3	50.2°	19.9°
C3	C2	C1	H4	169.3°	140.0°
C2	C3	N2	H6	179.9°	180.0°
C5	C4	N2	C3	180.0°	179.9°
C4	C5	C6	H8	180.0°	180.0°
C5	C4	N2	H6	0.0°	0.1°
C4	N2	C3	H6	180.0°	180.0°
C4	N2	C3	H5	179.9°	180.0°
N2	C4	C5	H7	0.0°	0.1°
H3	C1	N1	H1	59.5°	60.0°
H3	C1	N1	H2	60.5°	176.1°
H4	C1	N1	H1	59.6°	60.0°
H4	C1	N1	H2	179.6°	63.9°
H8	C6	C5	H7	0.0°	0.0°
H8	C6	C7	H9	0.0°	0.3°
H10	C8	C7	H9	0.0°	0.4°
H5	C3	N2	H6	0.1°	0.0°

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