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Summary Geometry Related PDB entries

TEP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.39Å
C1	H11	sing	1.09Å	1.09Å
C1	H12	sing	1.09Å	1.09Å
C1	H13	sing	1.09Å	1.09Å
N1	C2	sing	1.34Å	1.37Å	Aromatic
N1	C6	sing	1.35Å	1.36Å	Aromatic
C2	O2	doub	1.22Å	1.23Å
C2	N3	sing	1.35Å	1.37Å	Aromatic
N3	C3	sing	1.47Å	1.39Å
N3	C4	sing	1.39Å	1.36Å	Aromatic
C3	H31	sing	1.09Å	1.09Å
C3	H32	sing	1.09Å	1.09Å
C3	H33	sing	1.09Å	1.09Å
C4	C5	doub	1.39Å	1.36Å	Aromatic
C4	N9	sing	1.34Å	1.39Å	Aromatic
C5	C6	sing	1.41Å	1.41Å	Aromatic
C5	N7	sing	1.38Å	1.39Å	Aromatic
C6	O6	doub	1.22Å	1.23Å
N7	C8	sing	1.35Å	1.35Å	Aromatic
N7	HN7	sing	0.97Å	1.01Å
C8	N9	doub	1.31Å	1.30Å	Aromatic
C8	H8	sing	1.08Å	1.09Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	H11	109.7°	109.5°
N1	C1	H12	109.5°	109.5°
N1	C1	H13	109.7°	109.5°
C1	N1	C2	118.1°	119.5°
C1	N1	C6	117.8°	119.5°
H11	C1	H12	109.4°	109.5°
H11	C1	H13	109.1°	109.4°
H12	C1	H13	109.4°	109.4°
C2	N1	C6	124.1°	121.0°
N1	C2	O2	116.5°	119.2°
N1	C2	N3	124.6°	121.7°
N1	C6	C5	110.5°	119.2°
N1	C6	O6	121.1°	120.4°
O2	C2	N3	118.9°	119.1°
C2	N3	C3	123.6°	120.0°
C2	N3	C4	113.1°	120.0°
C3	N3	C4	123.4°	119.9°
N3	C3	H31	109.5°	109.4°
N3	C3	H32	109.5°	109.5°
N3	C3	H33	109.7°	109.5°
N3	C4	C5	121.8°	118.9°
N3	C4	N9	127.9°	133.9°
H31	C3	H32	109.4°	109.5°
H31	C3	H33	109.4°	109.4°
H32	C3	H33	109.4°	109.5°
C5	C4	N9	110.3°	107.2°
C4	C5	C6	126.0°	119.2°
C4	C5	N7	105.7°	106.3°
C4	N9	C8	104.4°	109.8°
C6	C5	N7	128.3°	134.6°
C5	C6	O6	128.5°	120.4°
C5	N7	C8	105.9°	107.0°
C5	N7	HN7	124.8°	126.5°
C8	N7	HN7	129.2°	126.5°
N7	C8	N9	113.6°	109.7°
N7	C8	H8	123.1°	125.1°
N9	C8	H8	123.3°	125.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	H11	H12	120.2°	120.0°
N1	C1	H11	H13	120.2°	120.0°
N1	C1	H12	H13	120.3°	120.0°
C1	N1	C2	C6	179.9°	179.8°
C1	N1	C2	O2	0.3°	0.1°
C1	N1	C2	N3	180.0°	180.0°
C1	N1	C6	C5	179.9°	179.8°
C1	N1	C6	O6	0.1°	0.1°
H11	C1	H12	H13	119.5°	120.0°
H11	C1	N1	C2	151.8°	60.0°
H11	C1	N1	C6	28.3°	120.2°
H12	C1	N1	C2	88.1°	180.0°
H12	C1	N1	C6	91.8°	0.2°
H13	C1	N1	C2	32.0°	60.0°
H13	C1	N1	C6	148.2°	119.8°
N1	C2	O2	N3	179.7°	179.9°
N1	C2	N3	C3	179.9°	180.0°
N1	C2	N3	C4	0.1°	0.1°
C2	N1	C6	C5	0.1°	0.4°
C2	N1	C6	O6	180.0°	179.7°
C6	N1	C2	O2	179.6°	179.8°
C6	N1	C2	N3	0.1°	0.3°
N1	C6	C5	C4	0.0°	0.4°
N1	C6	C5	O6	180.0°	179.9°
N1	C6	C5	N7	180.0°	179.9°
O2	C2	N3	C3	0.4°	0.1°
O2	C2	N3	C4	179.6°	180.0°
C2	N3	C3	C4	180.0°	179.9°
C2	N3	C3	H31	68.0°	0.1°
C2	N3	C3	H32	51.9°	119.9°
C2	N3	C3	H33	171.9°	120.0°
C2	N3	C4	C5	0.1°	0.1°
C2	N3	C4	N9	180.0°	180.0°
N3	C3	H31	H32	120.0°	120.0°
N3	C3	H31	H33	120.2°	120.0°
N3	C3	H32	H33	120.2°	120.1°
C3	N3	C4	C5	180.0°	180.0°
C3	N3	C4	N9	0.0°	0.1°
C4	N3	C3	H31	112.0°	180.0°
C4	N3	C3	H32	128.1°	60.0°
C4	N3	C3	H33	8.0°	60.1°
N3	C4	C5	N9	180.0°	179.9°
N3	C4	C5	C6	0.0°	0.2°
N3	C4	C5	N7	180.0°	180.0°
N3	C4	N9	C8	180.0°	180.0°
H31	C3	H32	H33	119.9°	120.0°
C4	C5	C6	N7	180.0°	179.7°
C4	C5	C6	O6	180.0°	179.7°
C4	C5	N7	C8	0.0°	0.0°
C4	C5	N7	HN7	179.6°	180.0°
C5	C4	N9	C8	0.1°	0.1°
N9	C4	C5	C6	180.0°	179.8°
N9	C4	C5	N7	0.0°	0.0°
C4	N9	C8	N7	0.1°	0.1°
C4	N9	C8	H8	179.8°	179.9°
C6	C5	N7	C8	180.0°	179.7°
C6	C5	N7	HN7	0.4°	0.2°
N7	C5	C6	O6	0.0°	0.0°
C5	N7	C8	HN7	179.6°	180.0°
C5	N7	C8	N9	0.1°	0.1°
C5	N7	C8	H8	179.8°	179.9°
N7	C8	N9	H8	179.7°	179.8°
HN7	N7	C8	N9	179.6°	180.0°
HN7	N7	C8	H8	0.7°	0.1°

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PDB entries from 2024-07-10

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