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SummaryGeometryRelated PDB entries

AB3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C20C14sing1.53Å1.53Å
C20H201sing1.09Å1.12Å
C20H202sing1.09Å1.11Å
C20H203sing1.09Å1.11Å
C14C19sing1.53Å1.55Å
C14C21sing1.53Å1.56Å
C14N11sing1.46Å1.48Å
C19H191sing1.09Å1.12Å
C19H192sing1.09Å1.11Å
C19H193sing1.09Å1.12Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.12Å
C21H213sing1.09Å1.11Å
N11N15sing1.40Å1.29ÅAromatic
N11C7sing1.36Å1.35ÅAromatic
N15C13doub1.31Å1.33ÅAromatic
C7N3doub1.33Å1.36ÅAromatic
C7C4sing1.41Å1.40ÅAromatic
N3C6sing1.31Å1.33ÅAromatic
C6N5doub1.32Å1.35ÅAromatic
C6H6sing1.08Å1.10Å
N5C2sing1.33Å1.34ÅAromatic
C2N1sing1.38Å1.35Å
C2C4doub1.40Å1.40ÅAromatic
N1HN11sing0.97Å1.02Å
N1HN12sing0.97Å1.02Å
C4C13sing1.46Å1.41ÅAromatic
C13C18sing1.48Å1.41ÅAromatic
C18C28sing1.39Å1.40ÅAromatic
C18C27doub1.39Å1.42ÅAromatic
C28C29doub1.39Å1.39ÅAromatic
C28H28sing1.08Å1.10Å
C27C30sing1.38Å1.40ÅAromatic
C27H27sing1.08Å1.10Å
C30C26doub1.38Å1.39ÅAromatic
C30H30sing1.08Å1.10Å
C26C29sing1.39Å1.38ÅAromatic
C26H26sing1.08Å1.10Å
C29O33sing1.36Å1.35Å
O33H33sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C14C20H201112.1°109.5°
C14C20H202111.2°109.4°
C14C20H203111.2°109.4°
C20C14C19112.1°109.4°
C20C14C21109.7°109.5°
C20C14N11106.6°109.5°
H201C20H202111.2°109.5°
H201C20H203111.3°109.5°
H202C20H20399.2°109.5°
C19C14C21109.1°109.4°
C19C14N11108.0°109.4°
C14C19H191112.1°109.5°
C14C19H192111.3°109.5°
C14C19H193111.2°109.4°
C21C14N11111.4°109.5°
C14C21H211109.6°109.4°
C14C21H212112.1°109.5°
C14C21H213112.1°109.5°
C14N11N15125.6°125.3°
C14N11C7123.9°125.3°
H191C19H192111.3°109.5°
H191C19H193111.2°109.5°
H192C19H19399.2°109.5°
H211C21H212112.1°109.5°
H211C21H213112.2°109.5°
H212C21H21398.3°109.5°
N15N11C7110.3°109.4°
N11N15C13111.1°109.9°
N11C7N3129.8°134.5°
N11C7C4106.9°106.9°
N15C13C4106.7°107.4°
N15C13C18122.3°126.3°
N3C7C4123.2°118.6°
C7N3C6116.3°120.7°
C7C4C2116.3°118.5°
C7C4C13104.9°106.4°
N3C6N5124.3°122.7°
N3C6H6116.9°118.7°
N5C6H6118.8°118.6°
C6N5C2120.0°121.1°
N5C2N1116.4°120.9°
N5C2C4119.8°118.4°
N1C2C4123.7°120.8°
C2N1HN11116.4°120.1°
C2N1HN12109.7°120.0°
C2C4C13138.7°135.0°
HN11N1HN12109.7°120.0°
C4C13C18131.0°126.3°
C13C18C28120.4°120.1°
C13C18C27121.5°120.1°
C28C18C27118.1°119.8°
C18C28C29123.2°119.8°
C18C28H28118.5°120.1°
C18C27C30119.0°120.0°
C18C27H27120.8°120.0°
C29C28H28118.3°120.1°
C28C29C26117.7°120.0°
C28C29O33119.8°120.0°
C30C27H27120.2°120.0°
C27C30C26120.6°120.2°
C27C30H30120.1°119.9°
C26C30H30119.3°119.9°
C30C26C29121.4°120.2°
C30C26H26119.8°119.9°
C29C26H26118.8°119.9°
C26C29O33122.5°120.0°
C29O33H33119.8°106.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C14C20H201H202125.2°120.0°
C14C20H201H203125.3°120.0°
C14C20H202H203117.1°119.9°
C20C14C19C21121.7°120.0°
C20C14C19N11117.1°120.0°
C20C14C21N11117.7°120.1°
C20C14C19H191180.0°60.0°
C20C14C19H19254.7°180.0°
C20C14C19H19354.8°60.0°
C20C14C21H211180.0°60.0°
C20C14C21H21254.7°180.0°
C20C14C21H21354.7°60.0°
C20C14N11N1513.2°0.1°
C20C14N11C7171.7°179.7°
H201C20H202H203117.2°120.0°
H201C20C14C19180.0°60.0°
H201C20C14C2158.6°179.9°
H201C20C14N1162.0°60.0°
H202C20C14C1954.8°180.0°
H202C20C14C21176.1°60.0°
H202C20C14N1163.2°60.1°
H203C20C14C1954.7°60.0°
H203C20C14C2166.7°59.9°
H203C20C14N11172.7°180.0°
C19C14C21N11119.1°120.0°
C14C19H191H192125.3°120.0°
C14C19H191H193125.2°120.0°
C14C19H192H193117.1°120.0°
C19C14C21H21156.9°180.0°
C19C14C21H212177.9°60.0°
C19C14C21H21368.4°60.0°
C19C14N11N15107.5°120.0°
C19C14N11C767.7°59.8°
C21C14C19H19158.3°60.0°
C21C14C19H19267.0°60.0°
C21C14C19H193176.5°180.0°
C14C21H211H212125.2°120.0°
C14C21H211H213125.3°120.0°
C14C21H212H213118.1°120.1°
C21C14N11N15132.8°120.0°
C21C14N11C752.1°60.2°
N11C14C19H19162.8°180.0°
N11C14C19H192171.8°60.0°
N11C14C19H19362.3°60.0°
N11C14C21H21162.3°60.0°
N11C14C21H21263.0°59.9°
N11C14C21H213172.4°180.0°
C14N11N15C7175.7°179.8°
C14N11N15C13175.3°180.0°
C14N11C7N35.7°0.7°
C14N11C7C4176.1°179.8°
H191C19H192H193117.1°120.0°
H211C21H212H213118.1°120.0°
N15N11C7N3178.5°179.5°
N15N11C7C40.4°0.4°
N11N15C13C41.0°0.0°
N11N15C13C18178.5°180.0°
C7N11N15C130.4°0.2°
N11C7N3C4177.9°179.0°
N11C7N3C6177.5°179.5°
N11C7C4C2177.9°179.8°
N11C7C4C131.0°0.4°
N15C13C4C71.2°0.3°
N15C13C4C2177.2°180.0°
N15C13C4C18179.4°180.0°
N15C13C18C28134.0°44.5°
N15C13C18C2746.8°135.2°
C7N3C6N50.2°0.2°
C7N3C6H6179.8°179.7°
N3C7C4C20.4°0.6°
N3C7C4C13179.3°179.7°
C4C7N3C60.4°0.5°
C7C4C2N50.1°0.3°
C7C4C2N1175.9°179.7°
C7C4C2C13178.3°179.7°
C7C4C13C18178.3°179.7°
N3C6N5H6180.0°180.0°
N3C6N5C20.7°0.1°
C6N5C2N1176.8°180.0°
C6N5C2C40.6°0.0°
H6C6N5C2179.3°180.0°
N5C2N1C4176.0°180.0°
N5C2N1HN11180.0°163.8°
N5C2N1HN1254.7°16.2°
N5C2C4C13178.2°180.0°
C2N1HN11HN12125.3°180.0°
N1C2C4C132.3°0.0°
C4C2N1HN114.0°16.2°
C4C2N1HN12129.3°163.8°
C2C4C13C183.3°0.0°
C4C13C18C2845.4°135.5°
C4C13C18C27133.8°44.8°
C13C18C28C27179.2°179.8°
C13C18C28C29178.9°179.7°
C13C18C28H281.0°0.2°
C13C18C27C30178.9°180.0°
C13C18C27H271.1°0.1°
C18C28C29H28180.0°179.5°
C28C18C27C300.3°0.3°
C28C18C27H27179.7°179.8°
C18C28C29C260.3°0.6°
C18C28C29O33179.6°179.7°
C27C18C28C290.3°0.5°
C27C18C28H28179.8°180.0°
C18C27C30H27180.0°179.9°
C18C27C30C260.2°0.1°
C18C27C30H30179.8°180.0°
C28C29C26C300.9°0.4°
C28C29C26O33179.2°179.7°
C28C29C26H26179.1°179.7°
C28C29O33H33179.9°89.7°
H28C28C29C26179.6°179.9°
H28C28C29O330.4°0.2°
C27C30C26H30180.0°179.9°
C27C30C26C290.8°0.1°
C27C30C26H26179.2°180.0°
H27C27C30C26179.8°180.0°
H27C27C30H300.2°0.1°
C30C26C29H26180.0°179.9°
C30C26C29O33179.9°179.9°
H30C30C26C29179.2°180.0°
H30C30C26H260.8°0.0°
C26C29O33H330.7°90.0°
H26C26C29O330.1°0.0°

220113

PDB entries from 2024-05-22

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