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Summary Geometry Related PDB entries

40R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C6	doub	1.31Å	1.35Å	Aromatic
N3	N1	sing	1.40Å	1.39Å	Aromatic
C6	N2	sing	1.33Å	1.36Å	Aromatic
N1	C4	sing	1.46Å	1.46Å
N1	C5	sing	1.34Å	1.33Å	Aromatic
C4	C3	sing	1.53Å	1.52Å
N2	C5	doub	1.31Å	1.35Å	Aromatic
C3	C2	sing	1.53Å	1.52Å
C2	C1	sing	1.53Å	1.51Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N3	N1	104.8°	106.8°
N3	C6	N2	108.8°	108.9°
N3	C6	H6	125.6°	125.5°
N3	N1	C4	115.6°	126.8°
N3	N1	C5	110.8°	106.3°
C6	N2	C5	109.5°	109.9°
N2	C6	H6	125.6°	125.5°
C4	N1	C5	133.6°	126.9°
N1	C4	C3	109.5°	109.5°
N1	C4	H3	109.5°	109.5°
N1	C4	H4	109.4°	109.4°
N1	C5	N2	106.1°	108.1°
N1	C5	H5	127.0°	125.9°
C4	C3	C2	111.0°	109.5°
C3	C4	H3	109.5°	109.5°
C3	C4	H4	109.5°	109.5°
C4	C3	H10	109.1°	109.5°
C4	C3	H11	109.1°	109.5°
N2	C5	H5	127.0°	126.0°
C3	C2	C1	111.0°	109.5°
C3	C2	H1	109.1°	109.5°
C3	C2	H2	109.1°	109.5°
C2	C3	H10	109.1°	109.5°
C2	C3	H11	109.1°	109.5°
C1	C2	H1	109.1°	109.5°
C1	C2	H2	109.1°	109.4°
C2	C1	H7	109.5°	109.5°
C2	C1	H8	109.5°	109.4°
C2	C1	H9	109.5°	109.5°
H1	C2	H2	109.5°	109.5°
H3	C4	H4	109.5°	109.4°
H7	C1	H8	109.5°	109.5°
H7	C1	H9	109.5°	109.5°
H8	C1	H9	109.5°	109.5°
H10	C3	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C6	N2	H6	180.0°	179.9°
C6	N3	N1	C4	180.0°	179.9°
C6	N3	N1	C5	0.0°	0.2°
N3	C6	N2	C5	0.1°	0.0°
N1	N3	C6	N2	0.1°	0.1°
N3	N1	C4	C5	180.0°	179.7°
N3	N1	C4	C3	168.1°	55.3°
N3	N1	C5	N2	0.0°	0.2°
N3	N1	C4	H3	48.1°	64.7°
N3	N1	C4	H4	71.9°	175.3°
N3	N1	C5	H5	180.0°	179.8°
N1	N3	C6	H6	180.0°	179.9°
C6	N2	C5	N1	0.0°	0.1°
C6	N2	C5	H5	180.0°	179.8°
N1	C4	C3	H3	120.0°	120.1°
N1	C4	C3	H4	120.0°	120.0°
C4	N1	C5	N2	180.0°	179.9°
N1	C4	C3	C2	170.9°	180.0°
N1	C4	H3	H4	120.0°	120.0°
C4	N1	C5	H5	0.0°	0.0°
N1	C4	C3	H10	50.7°	60.0°
N1	C4	C3	H11	68.9°	59.9°
C5	N1	C4	C3	11.9°	125.0°
N1	C5	N2	H5	180.0°	180.0°
C5	N1	C4	H3	131.9°	115.0°
C5	N1	C4	H4	108.1°	5.0°
C4	C3	C2	H10	120.2°	120.0°
C4	C3	C2	H11	120.2°	120.1°
C4	C3	C2	C1	127.2°	180.0°
C4	C3	C2	H1	112.6°	60.0°
C4	C3	C2	H2	7.0°	60.0°
C3	C4	H3	H4	120.0°	120.0°
C4	C3	H10	H11	119.3°	120.0°
C5	N2	C6	H6	180.0°	179.9°
C3	C2	C1	H1	120.2°	120.0°
C3	C2	C1	H2	120.2°	120.0°
C3	C2	H1	H2	119.3°	120.0°
C2	C3	C4	H3	69.1°	60.0°
C2	C3	C4	H4	50.9°	60.0°
C3	C2	C1	H7	180.0°	180.0°
C3	C2	C1	H8	60.0°	60.0°
C3	C2	C1	H9	60.0°	60.0°
C2	C3	H10	H11	119.3°	120.0°
C1	C2	H1	H2	119.3°	120.0°
C2	C1	H7	H8	120.0°	120.0°
C2	C1	H7	H9	120.0°	120.0°
C2	C1	H8	H9	120.0°	120.0°
C1	C2	C3	H10	7.0°	59.9°
C1	C2	C3	H11	112.6°	60.0°
H1	C2	C1	H7	59.8°	60.0°
H1	C2	C1	H8	179.8°	60.0°
H1	C2	C1	H9	60.3°	180.0°
H1	C2	C3	H10	127.2°	180.0°
H1	C2	C3	H11	7.7°	60.0°
H2	C2	C1	H7	59.8°	60.0°
H2	C2	C1	H8	60.2°	NaN°
H2	C2	C1	H9	179.8°	60.0°
H2	C2	C3	H10	113.3°	60.0°
H2	C2	C3	H11	127.2°	179.9°
H3	C4	C3	H10	170.7°	60.1°
H3	C4	C3	H11	51.1°	180.0°
H4	C4	C3	H10	69.3°	180.0°
H4	C4	C3	H11	171.1°	60.0°
H7	C1	H8	H9	120.0°	120.0°

227344

PDB entries from 2024-11-13

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