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SummaryGeometryRelated PDB entries

A1I35

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02C03sing1.39Å1.36ÅAromatic
C02C01doub1.38Å1.40ÅAromatic
C03C04doub1.37Å1.40ÅAromatic
C01C06sing1.39Å1.40ÅAromatic
C04C07sing1.41Å1.38ÅAromatic
C06C07doub1.40Å1.40ÅAromatic
C06S05sing1.76Å1.71ÅAromatic
C07N08sing1.35Å1.34ÅAromatic
N08C09doub1.29Å1.33ÅAromatic
S05C09sing1.76Å1.77ÅAromatic
C09N10sing1.38Å1.38Å
N10C16sing1.39Å1.38Å
N15C16doub1.32Å1.32ÅAromatic
N15N14sing1.28Å1.33ÅAromatic
C16C17sing1.40Å1.39ÅAromatic
N14C19doub1.32Å1.33ÅAromatic
S21C22sing1.71Å1.72ÅAromatic
S21C20sing1.76Å1.76ÅAromatic
C22C23doub1.35Å1.41ÅAromatic
C17C12sing1.51Å1.54Å
C17C18doub1.38Å1.39ÅAromatic
C19C18sing1.40Å1.39ÅAromatic
C19N11sing1.39Å1.37Å
C20N11sing1.39Å1.34Å
C20N24doub1.30Å1.33ÅAromatic
C18C13sing1.51Å1.61Å
C23N24sing1.34Å1.34ÅAromatic
C23C25sing1.47Å1.56Å
O26C25doub1.22Å1.26Å
C25O27sing1.35Å1.25Å
C01H1sing1.08Å1.08Å
C02H2sing1.08Å1.08Å
C03H3sing1.08Å1.08Å
C04H4sing1.08Å1.08Å
N10H5sing0.97Å1.00Å
N11H6sing0.97Å1.00Å
C12H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C22H13sing1.08Å1.08Å
O27H14sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C03C02C01117.4°120.0°
C02C03C04122.7°120.6°
C03C02H2121.3°120.1°
C02C03H3118.7°119.7°
C02C01C06120.6°120.2°
C02C01H1119.7°119.9°
C01C02H2121.3°120.0°
C03C04C07120.6°120.5°
C04C03H3118.6°119.8°
C03C04H4119.7°119.7°
C01C06C07120.9°120.5°
C01C06S05126.7°131.1°
C06C01H1119.7°119.9°
C04C07C06117.8°118.3°
C04C07N08127.6°128.7°
C07C04H4119.7°119.8°
C07C06S05112.4°108.4°
C06C07N08114.6°112.9°
C06S05C0987.0°90.5°
C07N08C09110.5°117.9°
N08C09S05115.5°110.3°
N08C09N10118.5°124.8°
S05C09N10126.0°124.8°
C09N10C16122.5°120.0°
C09N10H5118.8°120.0°
N10C16N15118.6°120.1°
N10C16C17121.0°120.0°
C16N10H5118.8°120.0°
C16N15N14121.9°122.2°
N15C16C17120.3°119.9°
N15N14C19120.6°122.2°
C16C17C12119.4°121.0°
C16C17C18118.3°117.9°
N14C19C18120.9°119.8°
N14C19N11118.5°120.1°
C22S21C2086.7°90.7°
S21C22C23113.7°109.2°
S21C22H13123.2°125.3°
S21C20N11126.4°125.3°
S21C20N24114.8°109.4°
C22C23N24111.4°115.0°
C22C23C25123.7°122.5°
C23C22H13123.2°125.5°
C12C17C18122.3°121.1°
C17C12H7109.5°109.5°
C17C12H8109.5°109.4°
C17C12H9109.4°109.5°
C17C18C19118.0°118.0°
C17C18C13121.5°121.0°
C18C19N11120.6°120.1°
C19C18C13120.5°121.0°
C19N11C20124.3°120.0°
C19N11H6117.9°120.0°
N11C20N24118.6°125.3°
C20N11H6117.8°120.0°
C20N24C23113.4°115.7°
C18C13H10109.5°109.4°
C18C13H11109.5°109.5°
C18C13H12109.5°109.5°
N24C23C25124.8°122.5°
C23C25O26119.4°120.0°
C23C25O27121.3°120.0°
O26C25O27118.2°120.0°
C25O27H14109.5°117.0°
H7C12H8109.4°109.5°
H7C12H9109.5°109.5°
H8C12H9109.5°109.5°
H10C13H11109.5°109.5°
H10C13H12109.5°109.4°
H11C13H12109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C03C02C01H2180.0°180.0°
C02C03C04H3180.0°179.9°
C03C02C01C061.0°0.1°
C02C03C04C071.5°0.1°
C03C02C01H1179.0°179.7°
C02C03C04H4178.5°180.0°
C01C02C03C040.0°0.0°
C02C01C06H1180.0°179.6°
C02C01C06C070.6°0.1°
C02C01C06S05179.4°179.7°
C01C02C03H3180.0°180.0°
C03C04C07H4180.0°179.9°
C03C04C07C061.9°0.1°
C03C04C07N08177.7°180.0°
C04C03C02H2180.0°180.0°
C01C06C07C040.9°0.1°
C01C06C07S05180.0°179.8°
C01C06C07N08178.7°180.0°
C01C06S05C09178.6°179.9°
C06C01C02H2179.0°180.0°
C04C07C06N08179.6°179.9°
C04C07C06S05179.1°179.7°
C04C07N08C09179.7°180.0°
C07C04C03H3178.5°180.0°
C06C07N08C090.2°0.1°
C07C06S05C091.4°0.3°
C07C06C01H1179.4°179.7°
C06C07C04H4178.1°180.0°
S05C06C07N081.2°0.2°
C06S05C09N081.4°0.4°
C06S05C09N10180.0°180.0°
S05C06C01H10.6°0.0°
C07N08C09S051.0°0.4°
C07N08C09N10179.7°179.9°
N08C07C04H42.3°0.1°
N08C09S05N10178.6°179.6°
N08C09N10C16177.4°0.5°
N08C09N10H52.6°179.6°
S05C09N10C164.1°180.0°
S05C09N10H5175.9°0.1°
C09N10C16H5180.0°180.0°
C09N10C16N1522.2°0.0°
C09N10C16C17155.3°180.0°
N10C16N15C17177.5°180.0°
N10C16N15N14179.8°180.0°
N10C16C17C121.4°0.0°
N10C16C17C18179.3°180.0°
C16N15N14C190.0°0.0°
N15C16C17C12176.1°180.0°
N15C16C17C181.8°0.0°
N15C16N10H5157.7°180.0°
N14N15C16C172.7°0.0°
N15N14C19C183.5°0.1°
N15N14C19N11178.3°180.0°
C16C17C12C18177.8°180.0°
C16C17C18C191.4°0.0°
C16C17C18C13179.0°180.0°
C17C16N10H524.7°0.0°
C16C17C12H791.1°90.0°
C16C17C12H8149.0°150.0°
C16C17C12H929.0°30.0°
N14C19C18C174.1°0.1°
N14C19C18N11178.2°179.9°
N14C19N11C202.1°0.1°
N14C19C18C13178.3°180.0°
N14C19N11H6177.9°180.0°
S21C22C23H13180.0°179.9°
C22S21C20N11176.1°180.0°
C22S21C20N241.2°0.2°
S21C22C23N240.8°0.3°
S21C22C23C25177.9°180.0°
C20S21C22C231.1°0.1°
S21C20N11C198.3°0.2°
S21C20N11N24174.8°179.7°
S21C20N24C231.0°0.5°
S21C20N11H6171.7°179.7°
C20S21C22H13178.9°180.0°
C22C23N24C200.1°0.6°
C22C23N24C25178.7°179.6°
C22C23C25O268.1°0.1°
C22C23C25O27159.9°180.0°
C12C17C18C19179.3°180.0°
C12C17C18C133.2°0.0°
C17C12H7H8120.0°120.0°
C17C12H7H9120.0°120.0°
C17C12H8H9120.0°120.0°
C17C18C19C13177.6°180.0°
C17C18C19N11177.7°180.0°
C18C17C12H791.1°90.0°
C18C17C12H828.8°30.0°
C18C17C12H9148.8°150.0°
C17C18C13H1088.7°90.0°
C17C18C13H11151.3°150.0°
C17C18C13H1231.3°29.9°
C18C19N11C20176.2°180.0°
C18C19N11H63.8°0.0°
C19C18C13H1088.8°90.1°
C19C18C13H1131.2°30.0°
C19C18C13H12151.2°150.0°
C19N11C20H6180.0°180.0°
C19N11C20N24176.9°180.0°
N11C19C18C130.1°0.0°
N11C20N24C23176.3°179.7°
C20N24C23C25178.8°179.8°
N24C20N11H63.1°0.0°
C18C13H10H11120.0°120.0°
C18C13H10H12120.0°119.9°
C18C13H11H12120.0°120.1°
N24C23C25O26173.4°179.7°
N24C23C25O2718.6°0.4°
N24C23C22H13179.2°179.7°
C23C25O26O27168.4°179.9°
C25C23C22H132.1°0.1°
C23C25O27H14168.2°180.0°
O26C25O27H140.0°0.1°
H1C01C02H21.0°0.3°
H2C02C03H30.0°0.1°
H3C03C04H41.5°0.1°
H7C12H8H9120.0°120.0°
H10C13H11H12120.0°120.0°

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