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Summary Geometry Related PDB entries

ZTR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.24Å
C	C9	sing	1.51Å	1.52Å
C7	C8	doub	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C8	C3	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.51Å	1.52Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C2	N	sing	1.47Å	1.45Å
C4	C9	sing	1.51Å	1.51Å
N	H1	sing	1.01Å	1.00Å
N	H	sing	1.01Å	1.00Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C	O1	sing	1.34Å	1.34Å
O1	H2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C9	121.2°	120.0°
O	C	O1	121.4°	120.0°
C	C9	C4	115.0°	109.5°
C	C9	H91	108.1°	109.5°
C	C9	H92	108.1°	109.5°
C9	C	O1	117.4°	120.0°
C8	C7	C6	119.7°	120.0°
C7	C8	C3	121.2°	120.0°
C8	C7	H7	120.2°	120.0°
C7	C8	H8	119.4°	120.0°
C7	C6	C5	119.7°	120.0°
C7	C6	H6	120.2°	120.0°
C6	C7	H7	120.1°	120.0°
C8	C3	C2	118.8°	120.0°
C8	C3	C4	118.9°	120.0°
C3	C8	H8	119.4°	120.0°
C6	C5	C4	121.1°	120.0°
C6	C5	H5	119.4°	120.0°
C5	C6	H6	120.2°	120.0°
C2	C3	C4	122.3°	120.0°
C3	C2	N	113.8°	109.5°
C3	C2	H21	108.4°	109.4°
C3	C2	H22	108.4°	109.4°
C3	C4	C5	119.5°	120.0°
C3	C4	C9	121.7°	120.0°
C5	C4	C9	118.8°	120.0°
C4	C5	H5	119.5°	120.0°
C2	N	H1	109.5°	111.0°
C2	N	H	109.5°	111.0°
N	C2	H21	108.4°	109.5°
N	C2	H22	108.4°	109.5°
C4	C9	H91	108.0°	109.4°
C4	C9	H92	108.1°	109.4°
H1	N	H	109.5°	111.0°
H21	C2	H22	109.5°	109.5°
H91	C9	H92	109.5°	109.4°
C	O1	H2	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C9	O1	179.4°	179.9°
O	C	C9	C4	17.3°	0.0°
O	C	C9	H91	138.1°	119.9°
O	C	C9	H92	103.5°	120.0°
O	C	O1	H2	0.0°	0.1°
C	C9	C4	C3	71.9°	85.0°
C	C9	C4	C5	107.7°	95.0°
C	C9	C4	H91	120.8°	120.0°
C	C9	C4	H92	120.8°	120.1°
C	C9	H91	H92	117.5°	120.1°
C9	C	O1	H2	179.4°	180.0°
C8	C7	C6	H7	180.0°	179.5°
C7	C8	C3	H8	180.0°	179.5°
C8	C7	C6	C5	0.7°	0.3°
C7	C8	C3	C2	179.7°	179.7°
C7	C8	C3	C4	0.4°	0.5°
C8	C7	C6	H6	179.3°	179.8°
C6	C7	C8	C3	0.5°	0.5°
C7	C6	C5	H6	180.0°	179.9°
C7	C6	C5	C4	0.0°	0.0°
C7	C6	C5	H5	180.0°	180.0°
C6	C7	C8	H8	179.5°	180.0°
C8	C3	C2	C4	180.0°	179.8°
C8	C3	C4	C5	1.1°	0.3°
C8	C3	C2	N	102.6°	100.2°
C8	C3	C4	C9	179.4°	179.7°
C8	C3	C2	H21	18.1°	139.8°
C8	C3	C2	H22	136.8°	19.7°
C3	C8	C7	H7	179.5°	180.0°
C6	C5	C4	C3	0.9°	0.0°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C9	179.6°	180.0°
C5	C6	C7	H7	179.3°	179.7°
C2	C3	C4	C5	179.0°	180.0°
C3	C2	N	H21	120.6°	120.0°
C3	C2	N	H22	120.6°	120.0°
C2	C3	C4	C9	0.5°	0.0°
C3	C2	N	H1	180.0°	56.1°
C3	C2	N	H	60.0°	180.0°
C3	C2	H21	H22	118.0°	120.0°
C2	C3	C8	H8	0.3°	0.2°
C3	C4	C5	C9	179.5°	180.0°
C4	C3	C2	N	77.4°	80.0°
C4	C3	C2	H21	162.0°	40.0°
C4	C3	C2	H22	43.2°	160.0°
C3	C4	C5	H5	179.1°	180.0°
C4	C3	C8	H8	179.6°	180.0°
C3	C4	C9	H91	49.0°	155.0°
C3	C4	C9	H92	167.3°	35.1°
C4	C5	C6	H6	180.0°	179.9°
C5	C4	C9	H91	131.5°	25.0°
C5	C4	C9	H92	13.2°	144.9°
C2	N	H1	H	120.0°	123.9°
N	C2	H21	H22	118.1°	120.1°
C9	C4	C5	H5	0.4°	0.0°
C4	C9	H91	H92	117.5°	119.9°
C4	C9	C	O1	163.2°	180.0°
H1	N	C2	H21	59.4°	176.0°
H1	N	C2	H22	59.4°	63.9°
H	N	C2	H21	179.4°	60.0°
H	N	C2	H22	60.6°	60.0°
H5	C5	C6	H6	0.0°	0.1°
H6	C6	C7	H7	0.7°	0.3°
H7	C7	C8	H8	0.5°	0.5°
H91	C9	C	O1	42.5°	60.0°
H92	C9	C	O1	75.9°	60.0°

224201

PDB entries from 2024-08-28

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