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SummaryGeometryRelated PDB entries

IUO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C15C17sing1.53Å1.53Å
C15N14sing1.47Å1.46Å
C17N19sing1.47Å1.47Å
C24C23doub1.38Å1.39ÅAromatic
C24C25sing1.38Å1.39ÅAromatic
C23C22sing1.38Å1.38ÅAromatic
C25C20doub1.39Å1.39ÅAromatic
C22C21doub1.38Å1.39ÅAromatic
C20C21sing1.39Å1.41ÅAromatic
C20N19sing1.40Å1.42Å
C21F26sing1.35Å1.35Å
N19C18sing1.47Å1.46Å
N14C16sing1.47Å1.45Å
N14C12sing1.35Å1.33Å
O13C12doub1.22Å1.22Å
C16C18sing1.53Å1.53Å
C12C5sing1.48Å1.49Å
C5C6doub1.40Å1.38ÅAromatic
C5C4sing1.40Å1.40ÅAromatic
C6C1sing1.38Å1.38ÅAromatic
C4C3doub1.38Å1.40ÅAromatic
O8N7sing1.22Å1.22Å
C1N7sing1.48Å1.39Å
C1C2doub1.38Å1.38ÅAromatic
N7O10doub1.22Å1.40Å
C3C2sing1.39Å1.40ÅAromatic
C2CL1sing1.74Å1.79Å
C3H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C18H10sing1.09Å1.10Å
C18H11sing1.09Å1.10Å
C25H12sing1.08Å1.08Å
C24H13sing1.08Å1.08Å
C23H14sing1.08Å1.08Å
C22H15sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C17C15N14106.5°108.6°
C15C17N19111.5°109.3°
C17C15H4110.2°109.6°
C17C15H5110.2°109.6°
C15C17H6108.9°109.5°
C15C17H7109.0°109.5°
C15N14C16113.4°118.2°
C15N14C12121.2°120.9°
N14C15H4110.2°109.6°
N14C15H5110.2°109.6°
C17N19C20119.4°111.0°
C17N19C18123.9°111.2°
N19C17H6109.0°109.5°
N19C17H7109.0°109.5°
C23C24C25120.4°120.1°
C24C23C22119.7°120.2°
C23C24H13119.8°119.9°
C24C23H14120.1°119.9°
C24C25C20120.5°120.0°
C24C25H12119.7°120.1°
C25C24H13119.8°119.9°
C23C22C21120.4°120.0°
C22C23H14120.1°119.9°
C23C22H15119.8°120.0°
C25C20C21118.7°119.8°
C25C20N19114.7°120.1°
C20C25H12119.8°120.0°
C22C21C20120.2°119.9°
C22C21F26115.2°120.1°
C21C22H15119.8°120.0°
C21C20N19126.4°120.1°
C20C21F26124.6°120.1°
C20N19C18116.1°110.9°
N19C18C16112.5°109.1°
N19C18H10108.7°109.4°
N19C18H11108.7°109.9°
C16N14C12125.4°120.9°
N14C16C18107.5°108.5°
N14C16H8110.0°109.6°
N14C16H9109.9°109.6°
N14C12O13121.9°120.0°
N14C12C5122.8°120.0°
O13C12C5115.3°120.0°
C18C16H8109.9°109.6°
C18C16H9110.0°109.7°
C16C18H10108.7°109.5°
C16C18H11108.7°109.4°
C12C5C6118.8°120.2°
C12C5C4120.0°120.1°
C6C5C4121.1°119.7°
C5C6C1119.4°119.9°
C5C6H3120.3°120.0°
C5C4C3118.8°119.9°
C5C4H2120.6°120.1°
C6C1N7119.5°119.9°
C6C1C2120.5°120.2°
C1C6H3120.3°120.1°
C4C3C2119.6°120.1°
C4C3H1120.2°120.0°
C3C4H2120.6°120.0°
O8N7C1121.4°120.0°
O8N7O10121.3°120.0°
N7C1C2119.9°119.9°
C1N7O10117.3°120.0°
C1C2C3120.5°120.2°
C1C2CL1117.4°119.9°
C3C2CL1122.1°119.8°
C2C3H1120.2°119.9°
H4C15H5109.5°109.8°
H6C17H7109.4°109.5°
H8C16H9109.5°109.7°
H10C18H11109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C17C15N14H4119.5°119.7°
C17C15N14H5119.5°119.7°
C15C17N19H6120.3°119.9°
C15C17N19H7120.3°120.0°
C15C17N19C20160.1°172.8°
C15C17N19C1829.7°63.2°
C17C15N14C1669.7°51.2°
C17C15N14C12111.1°129.1°
C17C15H4H5121.4°120.4°
C15C17H6H7119.0°120.1°
N14C15C17N1945.9°53.8°
C15N14C16C12179.2°179.8°
C15N14C12O132.7°175.9°
C15N14C16C1867.2°51.4°
C15N14C12C5175.6°4.1°
N14C15H4H5121.4°120.5°
N14C15C17H674.4°66.1°
N14C15C17H7166.2°173.8°
C15N14C16H852.5°68.3°
C15N14C16H9173.1°171.2°
C17N19C20C2543.3°60.2°
C17N19C20C21141.0°120.0°
C17N19C20C18171.0°124.1°
C17N19C18C1627.2°63.4°
N19C17C15H473.6°173.5°
N19C17C15H5165.4°65.9°
N19C17H6H7119.1°120.1°
C17N19C18H1093.2°176.9°
C17N19C18H11147.7°56.7°
C23C24C25H13180.0°179.8°
C24C23C22H14180.0°179.7°
C23C24C25C200.5°0.1°
C24C23C22C211.3°0.5°
C23C24C25H12179.6°179.9°
C24C23C22H15178.7°180.0°
C25C24C23C220.9°0.2°
C24C25C20H12180.0°179.9°
C24C25C20C211.3°0.1°
C24C25C20N19177.4°179.7°
C25C24C23H14179.1°180.0°
C23C22C21H15180.0°179.5°
C23C22C21C200.4°0.5°
C23C22C21F26179.1°179.5°
C22C23C24H13179.1°180.0°
C25C20C21C220.9°0.2°
C25C20C21N19175.5°179.8°
C25C20C21F26179.6°179.8°
C25C20N19C18127.7°63.9°
C20C25C24H13179.5°179.7°
C22C21C20F26179.5°180.0°
C22C21C20N19176.4°180.0°
C21C22C23H14178.7°179.7°
C21C20N19C1848.0°115.9°
C21C20C25H12178.7°179.9°
C20C21C22H15179.6°180.0°
N19C20C21F264.1°0.0°
C20N19C18C16162.2°172.6°
C20N19C17H679.6°67.3°
C20N19C17H739.8°52.8°
C20N19C18H1077.3°52.9°
C20N19C18H1141.8°67.4°
N19C20C25H122.6°0.2°
F26C21C22H150.9°0.0°
N19C18C16N1441.5°54.1°
N19C18C16H10120.5°119.7°
N19C18C16H11120.4°120.3°
C18N19C17H690.6°56.7°
C18N19C17H7150.0°176.8°
N19C18C16H878.2°65.6°
N19C18C16H9161.2°173.9°
N19C18H10H11118.6°120.5°
C16N14C12O13178.2°3.8°
N14C16C18H8119.7°119.7°
N14C16C18H9119.7°119.7°
C16N14C12C53.6°176.2°
C16N14C15H449.8°170.8°
C16N14C15H5170.8°68.6°
N14C16H8H9120.9°120.4°
N14C16C18H1079.0°173.8°
N14C16C18H11162.0°66.2°
N14C12O13C5178.4°180.0°
C12N14C16C18113.6°128.8°
N14C12C5C663.7°130.7°
N14C12C5C4119.7°49.4°
C12N14C15H4129.4°9.4°
C12N14C15H58.4°111.2°
C12N14C16H8126.7°111.5°
C12N14C16H96.1°9.0°
O13C12C5C6114.7°49.3°
O13C12C5C461.9°130.6°
C18C16H8H9120.9°120.5°
C16C18H10H11118.6°120.0°
C12C5C6C4176.6°179.8°
C12C5C6C1177.9°179.9°
C12C5C4C3177.9°179.9°
C12C5C4H22.1°0.2°
C12C5C6H32.1°0.2°
C5C6C1H3180.0°179.8°
C6C5C4C31.4°0.0°
C5C6C1N7177.6°179.9°
C5C6C1C20.1°0.5°
C6C5C4H2178.6°179.9°
C4C5C6C11.3°0.2°
C5C4C3H2180.0°179.9°
C5C4C3C20.0°0.1°
C5C4C3H1180.0°180.0°
C4C5C6H3178.7°180.0°
C6C1N7O885.2°180.0°
C6C1N7C2177.5°179.5°
C6C1N7O1093.5°0.0°
C6C1C2C31.5°0.5°
C6C1C2CL1179.9°179.8°
C4C3C2C11.4°0.3°
C4C3C2H1180.0°179.9°
C4C3C2CL1180.0°180.0°
O8N7C1O10178.8°180.0°
O8N7C1C297.3°0.6°
N7C1C2C3179.0°180.0°
N7C1C2CL12.4°0.3°
N7C1C6H32.4°0.3°
C2C1N7O1084.0°179.5°
C1C2C3CL1178.6°179.7°
C1C2C3H1178.6°179.7°
C2C1C6H3179.9°179.7°
C2C3C4H2180.0°180.0°
CL1C2C3H10.0°0.0°
H1C3C4H20.0°0.1°
H4C15C17H6166.0°53.6°
H4C15C17H746.7°66.5°
H5C15C17H645.1°174.2°
H5C15C17H774.2°54.1°
H8C16C18H10161.3°54.1°
H8C16C18H1142.3°174.1°
H9C16C18H1040.7°66.5°
H9C16C18H1178.3°53.5°
H12C25C24H130.5°0.1°
H13C24C23H140.9°0.2°
H14C23C22H151.4°0.2°

225681

PDB entries from 2024-10-02

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