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SummaryGeometryRelated PDB entries

R96

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O22C21doub1.22Å1.22Å
C21C14sing1.48Å1.46Å
C21N23sing1.35Å1.38Å
C14C13doub1.40Å1.39ÅAromatic
C14C15sing1.40Å1.40ÅAromatic
C13C12sing1.38Å1.39ÅAromatic
C13H13sing1.08Å1.10Å
C12N11doub1.32Å1.33ÅAromatic
C12H12sing1.08Å1.10Å
N11C16sing1.32Å1.34ÅAromatic
C16C15doub1.38Å1.39ÅAromatic
C16H16sing1.08Å1.10Å
C15H15sing1.08Å1.10Å
N23C31sing1.46Å1.48Å
N23H23sing0.97Å1.02Å
C31C32sing1.54Å1.53Å
C31C37sing1.51Å1.57Å
C31H31sing1.09Å1.12Å
C32N33sing1.48Å1.47Å
C32H321sing1.09Å1.11Å
C32H322sing1.09Å1.11Å
N33C34sing1.44Å1.46Å
N33H33sing1.01Å1.02Å
C34C35sing1.53Å1.54Å
C34H341sing1.09Å1.12Å
C34H342sing1.09Å1.12Å
C35C36sing1.46Å1.54Å
C35H351sing1.09Å1.12Å
C35H352sing1.09Å1.12Å
C36C37sing1.56Å1.56Å
C36H361sing1.09Å1.11Å
C36H362sing1.09Å1.12Å
C37N41sing1.46Å1.49Å
C37H37sing1.09Å1.11Å
N41C42sing1.35Å1.39Å
N41H41sing0.97Å1.02Å
C42O43doub1.21Å1.23Å
C42C51sing1.48Å1.45Å
C51C52doub1.40Å1.41ÅAromatic
C51C56sing1.40Å1.39ÅAromatic
C52C53sing1.38Å1.39ÅAromatic
C52H52sing1.08Å1.10Å
C53C54doub1.40Å1.41ÅAromatic
C53H53sing1.08Å1.10Å
C56C55doub1.38Å1.39ÅAromatic
C56H56sing1.08Å1.10Å
C55C54sing1.40Å1.40ÅAromatic
C55H55sing1.08Å1.10Å
C54C61sing1.48Å1.46Å
C61O62doub1.22Å1.25Å
C61C71sing1.47Å1.47Å
C71C72doub1.40Å1.42ÅAromatic
C71C76sing1.40Å1.40ÅAromatic
C72O92sing1.36Å1.36Å
C72C73sing1.39Å1.39ÅAromatic
O92H92sing0.97Å0.95Å
C73C74doub1.38Å1.40ÅAromatic
C73H73sing1.08Å1.10Å
C74C75sing1.39Å1.41ÅAromatic
C74H74sing1.08Å1.10Å
C76C75doub1.38Å1.41ÅAromatic
C76H76sing1.08Å1.10Å
C75N91sing1.40Å1.44Å
N91C92sing1.47Å1.49Å
N91C96sing1.47Å1.51Å
C92C93sing1.53Å1.55Å
C92H921sing1.09Å1.12Å
C92H922sing1.09Å1.12Å
C93C94sing1.53Å1.53Å
C93H931sing1.09Å1.11Å
C93H932sing1.09Å1.11Å
C94C95sing1.53Å1.53Å
C94H941sing1.09Å1.11Å
C94H942sing1.09Å1.11Å
C95C97sing1.53Å1.55Å
C95C98sing1.53Å1.54Å
C95C96sing1.53Å1.55Å
C97H971sing1.09Å1.12Å
C97H972sing1.09Å1.11Å
C97H973sing1.09Å1.11Å
C98H981sing1.09Å1.12Å
C98H982sing1.09Å1.11Å
C98H983sing1.09Å1.12Å
C96H961sing1.09Å1.11Å
C96H962sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O22C21C14123.4°120.0°
O22C21N23117.4°120.0°
C14C21N23119.3°120.0°
C21C14C13120.4°121.0°
C21C14C15122.4°120.9°
C21N23C31121.8°120.0°
C21N23H23115.8°120.0°
C13C14C15117.2°118.1°
C14C13C12120.1°119.0°
C14C13H13120.0°120.5°
C14C15C16120.5°119.0°
C14C15H15120.3°120.5°
C12C13H13119.9°120.5°
C13C12N11120.5°120.9°
C13C12H12122.0°119.6°
N11C12H12117.5°119.5°
C12N11C16121.8°122.0°
N11C16C15119.9°120.9°
N11C16H16118.2°119.5°
C15C16H16121.9°119.6°
C16C15H15119.3°120.4°
C31N23H23122.4°120.0°
N23C31C32105.7°108.5°
N23C31C37110.6°108.4°
N23C31H31114.7°108.4°
C32C31C37117.9°114.6°
C32C31H31106.8°108.5°
C31C32N33111.5°114.1°
C31C32H321111.5°108.6°
C31C32H322111.5°108.5°
C37C31H31101.5°108.3°
C31C37C36117.9°108.8°
C31C37N41109.1°109.6°
C31C37H37104.7°109.6°
N33C32H321111.5°108.6°
N33C32H322111.5°108.6°
C32N33C34111.9°108.7°
C32N33H33111.3°106.7°
H321C32H32298.9°108.3°
C34N33H33111.3°106.7°
N33C34C35110.8°106.9°
N33C34H341111.7°110.0°
N33C34H342111.7°110.0°
C35C34H341111.7°110.0°
C35C34H342111.7°109.9°
C34C35C36111.0°113.9°
C34C35H351111.6°108.7°
C34C35H352111.6°108.6°
H341C34H34298.7°110.1°
C36C35H351111.6°108.6°
C36C35H352111.6°108.5°
C35C36C37115.4°109.8°
C35C36H361110.0°109.4°
C35C36H362110.1°109.5°
H351C35H35298.8°108.4°
C37C36H361110.1°109.4°
C37C36H362110.1°109.4°
C36C37N41112.2°109.6°
C36C37H37101.0°109.5°
H361C36H362100.2°109.3°
N41C37H37111.4°109.6°
C37N41C42120.7°120.0°
C37N41H41123.1°120.0°
C42N41H41116.2°120.0°
N41C42O43119.7°119.9°
N41C42C51119.4°120.0°
O43C42C51120.9°120.1°
C42C51C52120.0°120.0°
C42C51C56119.1°120.0°
C52C51C56120.9°120.0°
C51C52C53120.1°120.1°
C51C52H52120.5°120.0°
C51C56C55119.1°120.0°
C51C56H56120.7°120.0°
C53C52H52119.5°119.9°
C52C53C54118.7°119.9°
C52C53H53120.3°120.0°
C54C53H53121.1°120.0°
C53C54C55120.7°120.0°
C53C54C61120.3°120.0°
C55C56H56120.2°120.0°
C56C55C54120.6°119.9°
C56C55H55119.3°120.1°
C54C55H55120.1°120.0°
C55C54C61118.9°120.0°
C54C61O62117.2°120.1°
C54C61C71125.8°120.0°
O62C61C71116.8°120.0°
C61C71C72128.9°120.2°
C61C71C76112.8°120.2°
C72C71C76118.3°119.6°
C71C72O92125.6°120.0°
C71C72C73120.4°119.9°
C71C76C75121.6°119.8°
C71C76H76119.0°120.1°
O92C72C73114.0°120.1°
C72O92H92125.6°106.8°
C72C73C74120.8°120.2°
C72C73H73119.3°119.9°
C74C73H73119.8°119.9°
C73C74C75120.0°120.4°
C73C74H74119.7°119.8°
C75C74H74120.4°119.9°
C74C75C76118.9°120.2°
C74C75N91120.5°119.9°
C75C76H76119.5°120.1°
C76C75N91120.6°119.9°
C75N91C92118.4°106.7°
C75N91C96119.9°106.7°
C92N91C96120.2°107.3°
N91C92C93117.5°109.8°
N91C92H921109.3°109.4°
N91C92H922109.3°109.4°
N91C96C95117.0°109.7°
N91C96H961109.5°109.4°
N91C96H962109.5°109.4°
C93C92H921109.3°109.4°
C93C92H922109.3°109.4°
C92C93C94115.1°109.2°
C92C93H931110.2°109.6°
C92C93H932110.2°109.6°
H921C92H922100.8°109.4°
C94C93H931110.2°109.5°
C94C93H932110.1°109.5°
C93C94C95109.4°109.0°
C93C94H941112.2°109.6°
C93C94H942112.3°109.6°
H931C93H932100.1°109.5°
C95C94H941112.3°109.6°
C95C94H942112.2°109.5°
C94C95C97105.9°109.5°
C94C95C98114.1°109.5°
C94C95C96109.1°109.2°
H941C94H94298.1°109.6°
C97C95C98106.2°109.5°
C97C95C96113.5°109.5°
C95C97H971113.6°109.5°
C95C97H972105.9°109.5°
C95C97H973113.6°109.4°
C98C95C96108.1°109.5°
C95C98H981110.5°109.5°
C95C98H982114.1°109.5°
C95C98H983110.5°109.5°
C95C96H961109.5°109.4°
C95C96H962109.5°109.4°
H971C97H972113.5°109.5°
H971C97H97396.9°109.5°
H972C97H973113.5°109.5°
H981C98H982110.5°109.4°
H981C98H98399.8°109.5°
H982C98H983110.5°109.5°
H961C96H962100.7°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O22C21C14N23179.9°180.0°
O22C21C14C133.4°0.0°
O22C21C14C15175.8°179.7°
O22C21N23C317.7°0.0°
O22C21N23H23172.3°180.0°
C21C14C13C15179.2°179.7°
C21C14C13C12178.5°180.0°
C21C14C13H131.5°0.0°
C21C14C15C16179.6°179.7°
C21C14C15H150.4°0.3°
C14C21N23C31172.2°180.0°
C14C21N23H237.8°0.0°
N23C21C14C13176.6°180.0°
N23C21C14C154.2°0.3°
C21N23C31H23180.0°180.0°
C21N23C31C32109.1°85.0°
C21N23C31C37122.3°150.0°
C21N23C31H318.3°32.6°
C14C13C12H13180.0°180.0°
C14C13C12N112.1°0.0°
C14C13C12H12177.9°180.0°
C13C14C15C160.4°0.5°
C13C14C15H15179.6°179.9°
C15C14C13C120.8°0.3°
C15C14C13H13179.2°179.7°
C14C15C16N110.3°0.6°
C14C15C16H15180.0°179.4°
C14C15C16H16179.8°179.8°
C13C12N11H12180.0°180.0°
C13C12N11C162.3°0.0°
H13C13C12N11177.8°180.0°
H13C13C12H122.1°0.0°
C12N11C16C151.1°0.3°
C12N11C16H16178.9°180.0°
H12C12N11C16177.7°180.0°
N11C16C15H16180.0°179.6°
N11C16C15H15179.7°180.0°
H16C16C15H150.2°0.4°
N23C31C32C37124.1°121.3°
N23C31C32H31122.5°117.6°
N23C31C37H31122.1°117.4°
N23C31C32N33178.6°164.5°
N23C31C32H32153.3°74.2°
N23C31C32H32256.2°43.4°
N23C31C37C36112.1°147.5°
N23C31C37N41118.4°27.7°
N23C31C37H370.9°92.7°
H23N23C31C3270.9°95.0°
H23N23C31C3757.7°30.0°
H23N23C31H31171.7°147.4°
C32C31C37H31116.2°121.3°
C31C32N33H321125.2°121.3°
C31C32N33H322125.2°121.1°
C31C32H321H322117.4°117.6°
C31C32N33C3495.2°41.7°
C31C32N33H3330.0°156.4°
C32C31C37C369.5°91.1°
C32C31C37N41119.9°149.0°
C32C31C37H37120.8°28.6°
C37C31C32N3357.3°43.2°
C37C31C32H321177.5°164.5°
C37C31C32H32268.0°77.9°
C31C37C36C3567.3°72.6°
C31C37C36N41128.0°119.9°
C31C37C36H37113.3°119.8°
C31C37C36H361167.5°47.5°
C31C37C36H36258.0°167.3°
C31C37N41H37115.1°120.4°
C31C37N41C42165.7°155.3°
C31C37N41H4114.3°24.7°
H31C31C32N3356.1°77.9°
H31C31C32H32169.2°43.4°
H31C31C32H322178.7°160.9°
H31C31C37C36125.7°30.1°
H31C31C37N413.7°89.7°
H31C31C37H37123.0°149.9°
N33C32H321H322117.4°117.8°
C32N33C34H33125.3°114.7°
C32N33C34C3583.6°98.2°
C32N33C34H341151.1°21.1°
C32N33C34H34241.6°142.5°
H321C32N33C34139.5°79.6°
H321C32N33H3395.2°35.1°
H322C32N33C3430.0°162.7°
H322C32N33H33155.3°82.6°
N33C34C35H341125.3°119.3°
N33C34C35H342125.2°119.3°
N33C34H341H342117.6°121.3°
N33C34C35C3669.7°87.8°
N33C34C35H35155.6°151.1°
N33C34C35H352165.0°33.3°
H33N33C34C3541.7°147.1°
H33N33C34H34183.6°93.6°
H33N33C34H342166.9°27.8°
C35C34H341H342117.6°121.2°
C34C35C36H351125.3°121.2°
C34C35C36H352125.2°121.1°
C34C35H351H352117.5°117.9°
C34C35C36C3778.7°61.1°
C34C35C36H361156.0°59.0°
C34C35C36H36246.6°178.8°
H341C34C35C36165.0°31.6°
H341C34C35H35169.7°89.6°
H341C34C35H35239.8°152.6°
H342C34C35C3655.5°152.9°
H342C34C35H351179.2°31.7°
H342C34C35H35269.7°86.0°
C36C35H351H352117.5°117.7°
C35C36C37H361125.2°120.1°
C35C36C37H362125.3°120.2°
C35C36H361H362115.9°119.9°
C35C36C37N4160.7°167.6°
C35C36C37H37179.4°47.3°
H351C35C36C3746.6°177.7°
H351C35C36H36178.7°62.2°
H351C35C36H362171.8°57.6°
H352C35C36C37156.1°60.0°
H352C35C36H36130.8°179.9°
H352C35C36H36278.7°60.1°
C37C36H361H362115.9°119.8°
C36C37N41H37112.4°120.2°
C36C37N41C4261.8°85.3°
C36C37N41H41118.2°94.7°
H361C36C37N4164.6°72.3°
H361C36C37H3754.2°167.4°
H362C36C37N41174.1°47.4°
H362C36C37H3755.3°72.9°
C37N41C42H41180.0°180.0°
C37N41C42O4317.5°0.0°
C37N41C42C51160.3°180.0°
H37C37N41C4250.6°34.9°
H37C37N41H41129.4°145.1°
N41C42O43C51177.8°180.0°
N41C42C51C52155.4°180.0°
N41C42C51C5626.0°0.0°
H41N41C42O43162.5°180.0°
H41N41C42C5119.7°0.0°
O43C42C51C5226.8°0.0°
O43C42C51C56151.7°180.0°
C42C51C52C56178.5°179.9°
C42C51C52C53178.3°180.0°
C42C51C52H521.7°0.0°
C42C51C56C55178.7°179.7°
C42C51C56H561.3°0.0°
C51C52C53H52180.0°180.0°
C51C52C53C541.2°0.0°
C51C52C53H53178.8°180.0°
C52C51C56C550.2°0.4°
C52C51C56H56179.8°180.0°
C56C51C52C530.3°0.1°
C56C51C52H52179.7°179.9°
C51C56C55H56180.0°179.7°
C51C56C55C540.4°0.6°
C51C56C55H55179.6°180.0°
C52C53C54H53180.0°179.9°
C52C53C54C551.7°0.3°
C52C53C54C61179.2°180.0°
H52C52C53C54178.8°180.0°
H52C52C53H531.2°0.0°
C53C54C55C561.3°0.6°
C53C54C55C61177.5°179.7°
C53C54C55H55178.7°180.0°
C53C54C61O6228.5°5.4°
C53C54C61C71157.6°174.6°
H53C53C54C55178.3°179.7°
H53C53C54C610.8°0.1°
C56C55C54H55180.0°179.4°
C56C55C54C61178.8°179.7°
H56C56C55C54179.6°179.7°
H56C56C55H550.4°0.3°
C55C54C61O62149.0°174.3°
C55C54C61C7124.9°5.7°
H55C55C54C611.2°0.3°
C54C61O62C71174.5°180.0°
C54C61C71C7267.7°75.9°
C54C61C71C76113.4°104.4°
O62C61C71C72118.3°104.0°
O62C61C71C7660.6°75.7°
C61C71C72C76178.9°179.7°
C61C71C72O923.2°0.0°
C61C71C72C73178.0°180.0°
C61C71C76C75177.9°179.7°
C61C71C76H762.1°0.3°
C71C72O92C73178.9°180.0°
C71C72O92H92180.0°90.0°
C71C72C73C740.9°0.0°
C71C72C73H73179.1°180.0°
C72C71C76C751.1°0.6°
C72C71C76H76178.9°180.0°
C76C71C72O92177.9°179.7°
C76C71C72C730.9°0.3°
C71C76C75C741.3°0.6°
C71C76C75H76180.0°179.4°
C71C76C75N91179.2°179.7°
O92C72C73C74178.1°180.0°
O92C72C73H731.9°0.0°
C73C72O92H921.1°90.0°
C72C73C74H73180.0°180.0°
C72C73C74C751.0°0.0°
C72C73C74H74179.0°180.0°
C73C74C75H74180.0°179.9°
C73C74C75C761.2°0.3°
C73C74C75N91179.3°180.0°
H73C73C74C75178.9°180.0°
H73C73C74H741.1°0.1°
C74C75C76N91179.5°179.7°
C74C75C76H76178.7°180.0°
C74C75N91C9218.5°113.8°
C74C75N91C96175.6°0.7°
H74C74C75C76178.8°179.8°
H74C74C75N910.7°0.0°
C76C75N91C92162.0°65.9°
C76C75N91C963.9°179.6°
H76C76C75N910.8°0.3°
C75N91C92C96165.9°114.0°
C75N91C92C93169.1°179.7°
C75N91C92H92143.8°59.6°
C75N91C92H92265.7°60.2°
C75N91C96C95178.9°179.7°
C75N91C96H96153.6°60.2°
C75N91C96H96255.9°59.6°
N91C92C93H921125.3°120.1°
N91C92C93H922125.2°120.1°
N91C92H921H922115.1°119.8°
N91C92C93C9422.4°61.4°
N91C92C93H931147.7°178.7°
N91C92C93H932102.9°58.5°
C92N91C96C9515.4°65.6°
C92N91C96H961140.7°174.3°
C92N91C96H962109.8°54.4°
C96N91C92C933.2°65.7°
C96N91C92H921122.1°54.4°
C96N91C92H922128.4°174.2°
N91C96C95C9445.4°61.4°
N91C96C95C97163.3°58.6°
N91C96C95C9879.2°178.7°
N91C96C95H961125.3°120.1°
N91C96C95H962125.2°120.1°
N91C96H961H962115.3°119.9°
C93C92H921H922115.0°119.9°
C92C93C94H931125.3°120.0°
C92C93C94H932125.3°120.0°
C92C93H931H932116.0°120.2°
C92C93C94C9553.0°55.6°
C92C93C94H94172.3°64.3°
C92C93C94H942178.3°175.4°
H921C92C93C94102.9°58.7°
H921C92C93H93122.4°61.2°
H921C92C93H932131.8°178.6°
H922C92C93C94147.6°178.5°
H922C92C93H93187.1°58.6°
H922C92C93H93222.4°61.6°
C94C93H931H932116.0°120.1°
C93C94C95H941125.3°119.9°
C93C94C95H942125.3°119.9°
C93C94H941H942118.2°120.3°
C93C94C95C97174.1°64.3°
C93C94C95C9857.7°175.5°
C93C94C95C9663.4°55.6°
H931C93C94C95178.2°175.6°
H931C93C94H94153.0°55.7°
H931C93C94H94256.5°64.6°
H932C93C94C9572.3°64.4°
H932C93C94H941162.4°175.8°
H932C93C94H94253.0°55.5°
C95C94H941H942118.1°120.2°
C94C95C97C98121.7°120.2°
C94C95C97C96119.7°119.7°
C94C95C98C96121.6°119.8°
C94C95C97H97154.7°179.9°
C94C95C97H972180.0°59.9°
C94C95C97H97354.7°60.2°
C94C95C98H98154.7°60.1°
C94C95C98H982180.0°59.8°
C94C95C98H98354.7°179.9°
C94C95C96H961170.7°178.6°
C94C95C96H96279.8°58.7°
H941C94C95C9760.6°175.8°
H941C94C95C98177.1°55.7°
H941C94C95C9661.9°64.3°
H942C94C95C9748.8°55.5°
H942C94C95C9867.6°64.6°
H942C94C95C96171.3°175.5°
C97C95C98C96122.1°120.1°
C95C97H971H972121.1°120.0°
C95C97H971H973119.5°119.9°
C95C97H972H973125.3°120.0°
C97C95C98H98161.5°60.0°
C97C95C98H98263.7°180.0°
C97C95C98H983171.0°60.0°
C97C95C96H96171.4°61.5°
C97C95C96H96238.1°178.6°
C98C95C97H971176.4°60.0°
C98C95C97H97258.3°180.0°
C98C95C97H97366.9°60.0°
C95C98H981H982127.3°120.0°
C95C98H981H983116.4°120.0°
C95C98H982H983125.3°120.0°
C98C95C96H96146.1°58.6°
C98C95C96H962155.6°61.3°
C96C95C97H97165.0°60.1°
C96C95C97H97260.3°59.9°
C96C95C97H973174.4°179.9°
C96C95C98H981176.3°179.9°
C96C95C98H98258.4°59.9°
C96C95C98H98366.9°60.1°
C95C96H961H962115.2°119.9°
H971C97H972H973109.4°120.0°
H981C98H982H983109.5°120.0°

248942

PDB entries from 2026-02-11

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