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Summary Geometry Related PDB entries

363

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	N15	doub	1.31Å	1.31Å	Aromatic
C16	C11	sing	1.41Å	1.41Å	Aromatic
N15	N13	sing	1.40Å	1.40Å	Aromatic
C9	N10	doub	1.32Å	1.32Å	Aromatic
C9	C8	sing	1.40Å	1.40Å	Aromatic
N10	C5	sing	1.33Å	1.33Å	Aromatic
C11	C8	sing	1.48Å	1.49Å
C11	C12	doub	1.36Å	1.36Å	Aromatic
C8	N7	doub	1.33Å	1.33Å	Aromatic
N13	C12	sing	1.35Å	1.35Å	Aromatic
C5	N3	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.41Å	1.41Å	Aromatic
N3	C2	sing	1.37Å	1.37Å	Aromatic
N7	C6	sing	1.33Å	1.33Å	Aromatic
C6	C1	sing	1.46Å	1.46Å	Aromatic
C2	C1	doub	1.34Å	1.35Å	Aromatic
N3	H1	sing	0.97Å	1.00Å
C1	H2	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
N13	H6	sing	0.97Å	1.00Å
C16	H7	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N15	C16	C11	108.2°	108.1°
C16	N15	N13	108.2°	108.5°
N15	C16	H7	125.9°	125.9°
C16	C11	C8	126.7°	126.2°
C16	C11	C12	107.5°	107.5°
C11	C16	H7	125.9°	126.0°
N15	N13	C12	108.4°	108.2°
N15	N13	H6	125.8°	125.9°
N10	C9	C8	120.9°	120.5°
C9	N10	C5	120.1°	120.1°
N10	C9	H4	119.6°	119.7°
C9	C8	C11	119.3°	119.9°
C9	C8	N7	119.7°	120.2°
C8	C9	H4	119.5°	119.8°
N10	C5	N3	133.1°	133.2°
N10	C5	C6	119.4°	119.6°
C8	C11	C12	125.8°	126.3°
C11	C8	N7	121.0°	119.9°
C11	C12	N13	107.7°	107.6°
C11	C12	H5	126.2°	126.2°
C8	N7	C6	119.7°	119.6°
N13	C12	H5	126.2°	126.2°
C12	N13	H6	125.8°	125.9°
N3	C5	C6	107.4°	107.1°
C5	N3	C2	109.8°	109.9°
C5	N3	H1	125.1°	125.1°
C5	C6	N7	120.2°	120.1°
C5	C6	C1	105.7°	106.0°
N3	C2	C1	109.9°	110.0°
C2	N3	H1	125.1°	125.0°
N3	C2	H3	125.0°	125.0°
N7	C6	C1	134.1°	133.9°
C6	C1	C2	107.1°	107.0°
C6	C1	H2	126.4°	126.5°
C2	C1	H2	126.4°	126.6°
C1	C2	H3	125.0°	125.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N15	C16	C11	H7	180.0°	179.8°
N15	C16	C11	C8	179.2°	179.9°
N15	C16	C11	C12	0.8°	0.4°
C16	N15	N13	C12	0.2°	0.2°
C16	N15	N13	H6	179.8°	179.8°
C11	C16	N15	N13	0.6°	0.4°
C16	C11	C8	C9	30.4°	0.3°
C16	C11	C8	C12	178.1°	179.7°
C16	C11	C8	N7	151.2°	179.7°
C16	C11	C12	N13	0.7°	0.2°
C16	C11	C12	H5	179.3°	179.8°
N15	N13	C12	C11	0.3°	0.0°
N15	N13	C12	H6	180.0°	180.0°
N15	N13	C12	H5	179.6°	180.0°
N13	N15	C16	H7	179.4°	179.9°
N10	C9	C8	H4	180.0°	179.9°
N10	C9	C8	C11	179.3°	180.0°
N10	C9	C8	N7	0.8°	0.0°
C9	N10	C5	N3	180.0°	179.9°
C9	N10	C5	C6	0.0°	0.0°
C8	C9	N10	C5	0.3°	0.0°
C9	C8	C11	N7	178.4°	180.0°
C9	C8	C11	C12	147.7°	180.0°
C9	C8	N7	C6	0.9°	0.0°
N10	C5	N3	C6	180.0°	179.9°
N10	C5	N3	C2	180.0°	179.9°
N10	C5	C6	N7	0.1°	0.0°
N10	C5	C6	C1	180.0°	179.9°
N10	C5	N3	H1	0.0°	0.4°
C5	N10	C9	H4	179.7°	179.9°
C8	C11	C12	N13	179.1°	180.0°
C11	C8	N7	C6	179.3°	180.0°
C11	C8	C9	H4	0.7°	0.1°
C8	C11	C12	H5	0.9°	0.0°
C8	C11	C16	H7	0.8°	0.1°
C12	C11	C8	N7	30.7°	0.0°
C11	C12	N13	H5	180.0°	180.0°
C11	C12	N13	H6	179.7°	180.0°
C12	C11	C16	H7	179.2°	179.9°
C8	N7	C6	C5	0.5°	0.0°
C8	N7	C6	C1	179.6°	180.0°
N7	C8	C9	H4	179.2°	180.0°
C5	N3	C2	H1	180.0°	179.7°
N3	C5	C6	N7	179.9°	180.0°
N3	C5	C6	C1	0.0°	0.0°
C5	N3	C2	C1	0.1°	0.0°
C5	N3	C2	H3	179.9°	179.7°
C6	C5	N3	C2	0.1°	0.0°
C5	C6	N7	C1	179.9°	180.0°
C5	C6	C1	C2	0.0°	0.0°
C6	C5	N3	H1	179.9°	179.7°
C5	C6	C1	H2	180.0°	180.0°
N3	C2	C1	C6	0.1°	0.0°
N3	C2	C1	H3	180.0°	179.7°
N3	C2	C1	H2	179.9°	180.0°
N7	C6	C1	C2	179.9°	180.0°
N7	C6	C1	H2	0.0°	0.0°
C6	C1	C2	H2	180.0°	180.0°
C6	C1	C2	H3	179.9°	179.7°
C1	C2	N3	H1	179.9°	179.7°
H1	N3	C2	H3	0.1°	0.0°
H2	C1	C2	H3	0.1°	0.3°
H5	C12	N13	H6	0.4°	0.0°

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