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Summary Geometry Related PDB entries

RCN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N10	N11	sing	1.29Å	1.34Å	Aromatic
N10	N9	sing	1.29Å	1.36Å	Aromatic
N11	C7	doub	1.32Å	1.30Å	Aromatic
N9	C8	doub	1.31Å	1.34Å	Aromatic
C7	C8	sing	1.41Å	1.38Å	Aromatic
C7	C4	sing	1.48Å	1.52Å
C5	C4	doub	1.39Å	1.38Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.40Å	1.38Å	Aromatic
CL1	C6	sing	1.74Å	1.78Å
C6	C1	doub	1.38Å	1.38Å	Aromatic
C3	N12	sing	1.40Å	1.45Å
C3	C2	doub	1.39Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
N10	H5	sing	0.97Å	1.00Å
N12	H6	sing	0.97Å	1.00Å
N12	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N11	N10	N9	105.9°	111.0°
N10	N11	C7	111.5°	108.6°
N11	N10	H5	127.0°	124.5°
N10	N9	C8	108.4°	109.0°
N9	N10	H5	127.0°	124.5°
N11	C7	C8	106.9°	105.6°
N11	C7	C4	123.7°	127.2°
N9	C8	C7	107.4°	105.8°
N9	C8	H4	126.3°	127.1°
C8	C7	C4	129.5°	127.2°
C7	C8	H4	126.3°	127.1°
C7	C4	C5	116.5°	120.1°
C7	C4	C3	123.0°	120.2°
C4	C5	C6	120.1°	120.0°
C5	C4	C3	120.4°	119.7°
C4	C5	H3	120.0°	120.0°
C5	C6	CL1	120.3°	119.9°
C5	C6	C1	119.9°	120.2°
C6	C5	H3	119.9°	120.0°
C4	C3	N12	122.3°	120.1°
C4	C3	C2	119.0°	119.8°
CL1	C6	C1	119.8°	119.9°
C6	C1	C2	120.0°	120.3°
C6	C1	H1	120.0°	119.9°
N12	C3	C2	118.6°	120.2°
C3	N12	H6	109.5°	119.9°
C3	N12	H7	109.5°	120.0°
C3	C2	C1	120.6°	120.0°
C3	C2	H2	119.7°	120.0°
C2	C1	H1	120.0°	119.8°
C1	C2	H2	119.7°	120.0°
H6	N12	H7	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N11	N10	N9	H5	180.0°	179.7°
N11	N10	N9	C8	0.1°	0.4°
N10	N11	C7	C8	0.7°	0.0°
N10	N11	C7	C4	178.7°	179.7°
N9	N10	N11	C7	0.3°	0.3°
N10	N9	C8	C7	0.5°	0.4°
N10	N9	C8	H4	179.5°	179.6°
N11	C7	C8	N9	0.7°	0.2°
N11	C7	C8	C4	179.3°	179.8°
N11	C7	C4	C5	1.4°	179.6°
N11	C7	C4	C3	178.6°	0.3°
N11	C7	C8	H4	179.3°	179.8°
C7	N11	N10	H5	179.7°	180.0°
N9	C8	C7	H4	180.0°	180.0°
N9	C8	C7	C4	178.6°	180.0°
C8	N9	N10	H5	179.9°	179.9°
C8	C7	C4	C5	177.8°	0.1°
C8	C7	C4	C3	0.5°	180.0°
C7	C4	C5	C3	177.3°	179.9°
C7	C4	C5	C6	179.4°	179.8°
C7	C4	C3	N12	2.0°	0.1°
C7	C4	C3	C2	179.4°	179.9°
C7	C4	C5	H3	0.6°	0.1°
C4	C7	C8	H4	1.5°	0.0°
C4	C5	C6	H3	180.0°	179.7°
C4	C5	C6	CL1	179.0°	179.9°
C4	C5	C6	C1	0.9°	0.6°
C5	C4	C3	N12	179.2°	180.0°
C5	C4	C3	C2	2.2°	0.0°
C6	C5	C4	C3	2.1°	0.3°
C5	C6	CL1	C1	180.0°	179.5°
C5	C6	C1	C2	0.0°	0.5°
C5	C6	C1	H1	179.9°	179.7°
C4	C3	N12	C2	178.6°	180.0°
C4	C3	C2	C1	1.2°	0.0°
C4	C3	C2	H2	178.8°	180.0°
C3	C4	C5	H3	177.9°	180.0°
C4	C3	N12	H6	180.0°	180.0°
C4	C3	N12	H7	60.0°	0.0°
CL1	C6	C1	C2	180.0°	180.0°
CL1	C6	C1	H1	0.0°	0.3°
CL1	C6	C5	H3	1.0°	0.3°
C6	C1	C2	C3	0.1°	0.2°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	H2	179.9°	179.8°
C1	C6	C5	H3	179.0°	179.8°
N12	C3	C2	C1	179.9°	180.0°
N12	C3	C2	H2	0.1°	0.0°
C3	N12	H6	H7	120.0°	180.0°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	H1	179.9°	180.0°
C2	C3	N12	H6	1.4°	0.0°
C2	C3	N12	H7	118.6°	180.0°
H1	C1	C2	H2	0.1°	0.0°

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