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Summary Geometry Related PDB entries

MVN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.38Å	1.38Å	Aromatic
C1	C5	doub	1.39Å	1.38Å	Aromatic
C2	C6	doub	1.39Å	1.38Å	Aromatic
C3	C4	doub	1.40Å	1.38Å	Aromatic
C3	C6	sing	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.41Å	1.38Å	Aromatic
C4	C8	sing	1.46Å	1.46Å
C5	N11	sing	1.38Å	1.40Å
C6	CL1	sing	1.74Å	1.74Å
C7	C8	doub	1.36Å	1.34Å
C7	C9	sing	1.41Å	1.48Å
C8	C10	sing	1.51Å	1.49Å
C9	N11	sing	1.34Å	1.38Å
C9	O12	doub	1.22Å	1.23Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
N11	H11	sing	0.97Å	1.00Å
C7	H7	sing	1.08Å	1.08Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C10	H103	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C5	119.5°	119.9°
C1	C2	C6	119.9°	120.7°
C2	C1	H1	120.3°	120.1°
C1	C2	H2	120.0°	119.6°
C1	C5	C4	121.0°	119.5°
C1	C5	N11	119.7°	120.9°
C5	C1	H1	120.3°	120.1°
C2	C6	C3	120.3°	120.4°
C2	C6	CL1	119.6°	119.8°
C6	C2	H2	120.0°	119.7°
C4	C3	C6	119.8°	119.6°
C3	C4	C5	119.5°	119.9°
C3	C4	C8	121.9°	121.1°
C4	C3	H3	120.1°	120.2°
C3	C6	CL1	120.1°	119.8°
C6	C3	H3	120.1°	120.2°
C5	C4	C8	118.7°	119.0°
C4	C5	N11	119.3°	119.6°
C4	C8	C7	121.9°	118.5°
C4	C8	C10	117.1°	120.7°
C5	N11	C9	124.1°	121.0°
C5	N11	H11	118.0°	119.5°
C8	C7	C9	119.9°	120.3°
C7	C8	C10	121.0°	120.8°
C8	C7	H7	120.0°	119.8°
C7	C9	N11	116.2°	121.6°
C7	C9	O12	119.7°	119.2°
C9	C7	H7	120.1°	119.9°
C8	C10	H101	109.5°	109.5°
C8	C10	H102	109.5°	109.5°
C8	C10	H103	109.5°	109.5°
N11	C9	O12	124.0°	119.2°
C9	N11	H11	117.9°	119.5°
H101	C10	H102	109.5°	109.4°
H101	C10	H103	109.4°	109.5°
H102	C10	H103	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C5	H1	180.0°	179.8°
C1	C2	C6	H2	180.0°	179.9°
C1	C2	C6	C3	0.5°	0.0°
C2	C1	C5	C4	0.6°	0.1°
C2	C1	C5	N11	179.4°	180.0°
C1	C2	C6	CL1	179.5°	180.0°
C5	C1	C2	C6	0.0°	0.0°
C1	C5	C4	C3	0.6°	0.1°
C1	C5	C4	N11	180.0°	179.9°
C1	C5	C4	C8	179.4°	180.0°
C1	C5	N11	C9	179.1°	179.9°
C5	C1	C2	H2	180.0°	180.0°
C1	C5	N11	H11	0.9°	0.0°
C2	C6	C3	C4	0.5°	0.0°
C2	C6	C3	CL1	180.0°	180.0°
C6	C2	C1	H1	180.0°	179.8°
C2	C6	C3	H3	179.5°	179.9°
C4	C3	C6	H3	180.0°	179.9°
C3	C4	C5	C8	180.0°	180.0°
C3	C4	C5	N11	179.4°	180.0°
C4	C3	C6	CL1	179.5°	180.0°
C3	C4	C8	C7	180.0°	180.0°
C3	C4	C8	C10	0.1°	0.0°
C6	C3	C4	C5	0.0°	0.0°
C6	C3	C4	C8	180.0°	180.0°
C3	C6	C2	H2	179.5°	179.9°
C5	C4	C8	C7	0.0°	0.0°
C5	C4	C8	C10	179.9°	180.0°
C4	C5	N11	C9	0.9°	0.0°
C4	C5	C1	H1	179.4°	179.7°
C5	C4	C3	H3	180.0°	180.0°
C4	C5	N11	H11	179.1°	180.0°
C8	C4	C5	N11	0.6°	0.0°
C4	C8	C7	C10	179.9°	180.0°
C4	C8	C7	C9	0.3°	0.0°
C8	C4	C3	H3	0.0°	0.1°
C4	C8	C7	H7	179.7°	179.9°
C4	C8	C10	H101	180.0°	90.0°
C4	C8	C10	H102	60.0°	150.0°
C4	C8	C10	H103	60.0°	30.1°
C5	N11	C9	C7	0.6°	0.1°
C5	N11	C9	H11	180.0°	180.0°
C5	N11	C9	O12	179.6°	179.9°
N11	C5	C1	H1	0.6°	0.2°
CL1	C6	C2	H2	0.5°	0.1°
CL1	C6	C3	H3	0.5°	0.1°
C8	C7	C9	H7	180.0°	179.9°
C8	C7	C9	N11	0.0°	0.1°
C8	C7	C9	O12	179.8°	179.9°
C7	C8	C10	H101	0.1°	90.0°
C7	C8	C10	H102	119.9°	30.0°
C7	C8	C10	H103	120.0°	149.9°
C9	C7	C8	C10	179.8°	180.0°
C7	C9	N11	O12	179.8°	180.0°
C7	C9	N11	H11	179.4°	180.0°
C10	C8	C7	H7	0.3°	0.1°
C8	C10	H101	H102	120.0°	120.0°
C8	C10	H101	H103	120.0°	120.1°
C8	C10	H102	H103	120.0°	120.0°
N11	C9	C7	H7	180.0°	180.0°
O12	C9	N11	H11	0.4°	0.0°
O12	C9	C7	H7	0.3°	0.0°
H1	C1	C2	H2	0.0°	0.2°
H101	C10	H102	H103	120.0°	119.9°

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