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Summary Geometry Related PDB entries

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Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	N14	sing	1.37Å	1.41Å
N14	C3	sing	1.38Å	1.47Å
C3	N4	doub	1.29Å	1.34Å	Aromatic
C3	S5	sing	1.76Å	1.71Å	Aromatic
N4	C7	sing	1.34Å	1.41Å	Aromatic
S5	C6	sing	1.76Å	1.73Å	Aromatic
C7	C6	sing	1.40Å	1.40Å	Aromatic
C7	C12	doub	1.41Å	1.42Å	Aromatic
C6	C10	doub	1.39Å	1.41Å	Aromatic
C12	C13	sing	1.36Å	1.40Å	Aromatic
C10	C9	sing	1.39Å	1.41Å	Aromatic
C13	C9	doub	1.40Å	1.41Å	Aromatic
C9	C8	sing	1.47Å	1.55Å
C8	O11	doub	1.22Å	1.19Å
C8	N15	sing	1.35Å	1.45Å
N15	N1	sing	1.37Å	1.43Å
N1	H1	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
C10	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
N2	H5	sing	1.01Å	1.00Å
N2	H6	sing	1.01Å	1.00Å
C12	H7	sing	1.08Å	1.08Å
N14	H8	sing	0.97Å	1.00Å
N15	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N14	C3	118.6°	120.0°
N14	N2	H5	109.5°	111.0°
N14	N2	H6	109.5°	111.0°
N2	N14	H8	107.1°	120.0°
N14	C3	N4	126.8°	124.8°
N14	C3	S5	124.5°	124.8°
C3	N14	H8	107.1°	120.0°
N4	C3	S5	108.7°	110.4°
C3	N4	C7	113.8°	118.0°
C3	S5	C6	96.7°	90.4°
N4	C7	C6	116.1°	112.8°
N4	C7	C12	124.3°	128.6°
S5	C6	C7	104.7°	108.4°
S5	C6	C10	134.1°	131.1°
C6	C7	C12	119.6°	118.6°
C7	C6	C10	121.2°	120.5°
C7	C12	C13	119.1°	120.8°
C7	C12	H7	120.5°	119.6°
C6	C10	C9	119.5°	120.0°
C6	C10	H3	120.3°	120.0°
C12	C13	C9	121.4°	120.6°
C12	C13	H4	119.3°	119.8°
C13	C12	H7	120.4°	119.6°
C10	C9	C13	119.1°	119.6°
C10	C9	C8	119.7°	120.2°
C9	C10	H3	120.2°	120.0°
C13	C9	C8	121.2°	120.2°
C9	C13	H4	119.3°	119.7°
C9	C8	O11	120.8°	120.0°
C9	C8	N15	120.6°	120.0°
O11	C8	N15	118.5°	120.0°
C8	N15	N1	119.4°	119.9°
C8	N15	H9	120.3°	120.0°
N15	N1	H1	109.5°	111.0°
N15	N1	H2	109.5°	111.0°
N1	N15	H9	120.3°	120.0°
H1	N1	H2	109.4°	111.0°
H5	N2	H6	109.4°	111.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N14	C3	H8	121.3°	179.9°
N2	N14	C3	N4	162.7°	0.0°
N2	N14	C3	S5	17.4°	179.8°
N14	N2	H5	H6	120.0°	124.0°
N14	C3	N4	S5	179.9°	179.8°
N14	C3	N4	C7	179.8°	180.0°
N14	C3	S5	C6	179.8°	179.9°
C3	N14	N2	H5	180.0°	180.0°
C3	N14	N2	H6	60.0°	56.0°
N4	C3	S5	C6	0.1°	0.3°
C3	N4	C7	C6	0.6°	0.0°
C3	N4	C7	C12	179.5°	180.0°
N4	C3	N14	H8	41.4°	179.9°
S5	C3	N4	C7	0.2°	0.2°
C3	S5	C6	C7	0.4°	0.3°
C3	S5	C6	C10	179.8°	180.0°
S5	C3	N14	H8	138.7°	0.3°
N4	C7	C6	S5	0.7°	0.2°
N4	C7	C6	C12	179.9°	180.0°
N4	C7	C6	C10	179.9°	180.0°
N4	C7	C12	C13	180.0°	180.0°
N4	C7	C12	H7	0.0°	0.1°
S5	C6	C7	C10	179.4°	179.8°
S5	C6	C7	C12	179.5°	179.8°
S5	C6	C10	C9	179.4°	179.7°
S5	C6	C10	H3	0.6°	0.3°
C6	C7	C12	C13	0.1°	0.1°
C7	C6	C10	C9	0.1°	0.0°
C7	C6	C10	H3	179.8°	180.0°
C6	C7	C12	H7	179.9°	180.0°
C12	C7	C6	C10	0.0°	0.0°
C7	C12	C13	H7	180.0°	179.9°
C7	C12	C13	C9	0.3°	0.1°
C7	C12	C13	H4	179.7°	180.0°
C6	C10	C9	H3	180.0°	180.0°
C6	C10	C9	C13	0.3°	0.0°
C6	C10	C9	C8	179.9°	180.0°
C12	C13	C9	C10	0.4°	0.0°
C12	C13	C9	H4	180.0°	179.9°
C12	C13	C9	C8	179.9°	179.9°
C10	C9	C13	C8	179.8°	180.0°
C10	C9	C8	O11	17.0°	0.0°
C10	C9	C8	N15	163.3°	180.0°
C10	C9	C13	H4	179.6°	180.0°
C13	C9	C8	O11	162.8°	180.0°
C13	C9	C8	N15	16.9°	0.1°
C13	C9	C10	H3	179.7°	180.0°
C9	C13	C12	H7	179.7°	180.0°
C9	C8	O11	N15	179.7°	179.9°
C9	C8	N15	N1	179.8°	180.0°
C8	C9	C10	H3	0.1°	0.0°
C8	C9	C13	H4	0.1°	0.0°
C9	C8	N15	H9	0.2°	0.0°
O11	C8	N15	N1	0.1°	0.0°
O11	C8	N15	H9	179.9°	179.9°
C8	N15	N1	H9	180.0°	179.9°
C8	N15	N1	H1	180.0°	180.0°
C8	N15	N1	H2	60.0°	56.1°
N15	N1	H1	H2	120.0°	123.9°
H1	N1	N15	H9	0.0°	0.1°
H2	N1	N15	H9	120.0°	124.0°
H4	C13	C12	H7	0.3°	0.1°
H5	N2	N14	H8	58.7°	0.1°
H6	N2	N14	H8	61.3°	123.9°

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