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C78

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.40Å1.33Å
N1HN11sing0.97Å1.02Å
N1HN12sing0.97Å1.02Å
C2C3doub1.39Å1.37ÅAromatic
C2C6sing1.39Å1.38ÅAromatic
C3C4sing1.38Å1.33ÅAromatic
C3HC31sing1.08Å1.10Å
C4C5doub1.38Å1.36ÅAromatic
C4HC41sing1.08Å1.10Å
C5C7sing1.38Å1.37ÅAromatic
C5HC51sing1.08Å1.10Å
C7C6doub1.38Å1.35ÅAromatic
C7C8sing1.51Å1.51Å
C6HC61sing1.08Å1.10Å
C8O9sing1.45Å1.44Å
C8HC81sing1.09Å1.12Å
C8HC82sing1.09Å1.11Å
O9C10sing1.35Å1.40Å
C10O11doub1.21Å1.24Å
C10N12sing1.35Å1.33Å
N12C13sing1.46Å1.44Å
N12H121sing0.97Å1.02Å
C13C14sing1.53Å1.50Å
C13C21sing1.51Å1.52Å
C13H131sing1.09Å1.12Å
C14C15sing1.51Å1.47Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.11Å
C15C16doub1.38Å1.39ÅAromatic
C15C18sing1.38Å1.37ÅAromatic
C16C17sing1.38Å1.45ÅAromatic
C16H161sing1.08Å1.10Å
C17C20doub1.39Å1.36ÅAromatic
C17H171sing1.08Å1.10Å
C18C19doub1.38Å1.40ÅAromatic
C18H181sing1.08Å1.10Å
C19C20sing1.39Å1.39ÅAromatic
C19H191sing1.08Å1.10Å
C20O23sing1.36Å1.47Å
C21O22doub1.21Å1.26Å
C21N28sing1.35Å1.34Å
O23P24sing1.61Å1.65Å
P24O25sing1.61Å1.53Å
P24O26doub1.48Å1.52Å
P24O27sing1.61Å1.49Å
O25H251sing0.97Å0.95Å
O27H271sing0.97Å0.95Å
N28C29sing1.46Å1.46Å
N28H281sing0.97Å1.02Å
C29C30sing1.53Å1.48Å
C29C34sing1.53Å1.46Å
C29C35sing1.51Å1.47Å
C30C31sing1.53Å1.50Å
C30H301sing1.09Å1.11Å
C30H302sing1.09Å1.11Å
C31C32sing1.53Å1.53Å
C31H311sing1.09Å1.12Å
C31H312sing1.09Å1.11Å
C32C33sing1.53Å1.52Å
C32H321sing1.09Å1.12Å
C32H322sing1.09Å1.11Å
C33C34sing1.53Å1.47Å
C33H331sing1.09Å1.12Å
C33H332sing1.09Å1.12Å
C34H341sing1.09Å1.11Å
C34H342sing1.09Å1.12Å
C35O36doub1.21Å1.21Å
C35N37sing1.35Å1.33Å
N37C38sing1.46Å1.43Å
N37H371sing0.97Å1.02Å
C38C39sing1.53Å1.46Å
C38C43sing1.53Å1.53Å
C38H381sing1.09Å1.11Å
C39C40sing1.53Å1.34Å
C39H391sing1.09Å1.12Å
C39H392sing1.09Å1.12Å
C40C41sing1.53Å1.52Å
C40H401sing1.09Å1.12Å
C40H402sing1.09Å1.12Å
C41C42sing1.53Å1.47Å
C41H411sing1.09Å1.11Å
C41H412sing1.09Å1.12Å
C42C43sing1.53Å1.50Å
C42H421sing1.09Å1.11Å
C42H422sing1.09Å1.11Å
C43C44sing1.51Å1.52Å
C43H431sing1.09Å1.11Å
C44N45sing1.35Å1.32Å
C44O46doub1.21Å1.24Å
N45H451sing0.97Å1.02Å
N45H452sing0.97Å1.02Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1HN11119.5°120.0°
C2N1HN12108.6°120.0°
N1C2C3119.5°120.1°
N1C2C6119.7°120.1°
HN11N1HN12108.6°119.9°
C3C2C6120.7°119.8°
C2C3C4119.5°119.9°
C2C3HC31121.7°120.1°
C2C6C7120.5°119.9°
C2C6HC61120.7°120.0°
C4C3HC31118.8°120.0°
C3C4C5119.3°120.1°
C3C4HC41119.1°120.0°
C5C4HC41121.6°119.9°
C4C5C7123.1°120.1°
C4C5HC51118.1°120.0°
C7C5HC51118.8°119.9°
C5C7C6116.9°120.1°
C5C7C8120.0°120.0°
C6C7C8120.7°120.0°
C7C6HC61118.8°120.0°
C7C8O9111.7°109.5°
C7C8HC81111.3°109.5°
C7C8HC82111.4°109.5°
O9C8HC81111.4°109.5°
O9C8HC82111.4°109.5°
C8O9C10114.9°120.0°
HC81C8HC8299.0°109.5°
O9C10O11122.5°120.0°
O9C10N12113.9°120.0°
O11C10N12123.6°120.0°
C10N12C13120.2°120.0°
C10N12H121115.9°120.0°
C13N12H121123.9°120.0°
N12C13C14109.8°109.5°
N12C13C21105.9°109.5°
N12C13H131111.8°109.5°
C14C13C21110.4°109.5°
C14C13H131107.5°109.5°
C13C14C15109.2°109.5°
C13C14H141112.3°109.5°
C13C14H142112.3°109.5°
C21C13H131111.4°109.4°
C13C21O22121.0°120.0°
C13C21N28114.8°120.1°
C15C14H141112.3°109.5°
C15C14H142112.3°109.4°
C14C15C16120.8°119.9°
C14C15C18120.8°119.9°
H141C14H14298.2°109.5°
C16C15C18118.0°120.1°
C15C16C17121.2°120.0°
C15C16H161117.5°120.0°
C15C18C19120.8°120.0°
C15C18H181118.5°120.0°
C17C16H161121.3°120.0°
C16C17C20119.2°120.0°
C16C17H171123.5°120.0°
C20C17H171117.3°120.0°
C17C20C19119.0°119.9°
C17C20O23123.5°120.1°
C19C18H181120.7°120.0°
C18C19C20121.8°119.9°
C18C19H191119.5°120.0°
C20C19H191118.7°120.1°
C19C20O23117.5°120.0°
C20O23P24120.5°106.8°
O22C21N28124.2°120.0°
C21N28C29122.3°120.1°
C21N28H281114.4°120.0°
O23P24O25109.1°109.5°
O23P24O26111.7°109.5°
O23P24O27107.7°109.4°
O25P24O26108.3°109.5°
O25P24O27109.1°109.4°
P24O25H251109.1°106.9°
O26P24O27110.9°109.5°
P24O27H271107.7°106.9°
C29N28H281123.3°120.0°
N28C29C30118.0°109.5°
N28C29C34104.6°109.4°
N28C29C35108.4°109.5°
C30C29C34113.9°109.4°
C30C29C35103.7°109.5°
C29C30C31111.9°109.5°
C29C30H301111.3°109.4°
C29C30H302111.3°109.6°
C34C29C35107.9°109.5°
C29C34C33106.3°109.5°
C29C34H341113.4°109.5°
C29C34H342113.4°109.5°
C29C35O36113.2°120.0°
C29C35N37122.2°120.0°
C31C30H301111.3°109.5°
C31C30H302111.3°109.5°
C30C31C32110.0°109.5°
C30C31H311112.0°109.4°
C30C31H312112.1°109.5°
H301C30H30299.1°109.4°
C32C31H311112.0°109.5°
C32C31H312112.0°109.5°
C31C32C33112.6°109.5°
C31C32H321111.1°109.5°
C31C32H322111.1°109.5°
H311C31H31298.4°109.5°
C33C32H321111.0°109.5°
C33C32H322111.0°109.4°
C32C33C34111.1°109.5°
C32C33H331111.6°109.4°
C32C33H332111.6°109.5°
H321C32H32299.3°109.4°
C34C33H331111.6°109.5°
C34C33H332111.6°109.5°
C33C34H341113.4°109.4°
C33C34H342113.3°109.5°
H331C33H33298.7°109.5°
H341C34H34297.1°109.4°
O36C35N37124.6°120.0°
C35N37C38120.9°120.0°
C35N37H371116.0°120.0°
C38N37H371123.1°120.0°
N37C38C39100.8°109.5°
N37C38C43113.2°109.5°
N37C38H381115.1°109.5°
C39C38C43115.8°109.4°
C39C38H381112.6°109.5°
C38C39C40119.0°109.5°
C38C39H391108.8°109.5°
C38C39H392108.8°109.4°
C43C38H381100.0°109.4°
C38C43C42109.2°109.4°
C38C43C44113.8°109.5°
C38C43H431106.0°109.5°
C40C39H391108.8°109.5°
C40C39H392108.8°109.4°
C39C40C41124.4°109.4°
C39C40H401106.9°109.5°
C39C40H402106.9°109.5°
H391C39H392101.2°109.5°
C41C40H401107.0°109.5°
C41C40H402107.0°109.5°
C40C41C42113.6°109.5°
C40C41H411110.7°109.5°
C40C41H412110.7°109.4°
H401C40H402102.7°109.5°
C42C41H411110.7°109.5°
C42C41H412110.7°109.4°
C41C42C43113.6°109.4°
C41C42H421110.7°109.5°
C41C42H422110.7°109.5°
H411C41H41299.6°109.4°
C43C42H421110.7°109.5°
C43C42H422110.7°109.5°
C42C43C44107.2°109.5°
C42C43H431112.7°109.5°
H421C42H42299.7°109.5°
C44C43H431108.1°109.5°
C43C44N45115.0°120.0°
C43C44O46122.3°120.0°
N45C44O46122.7°120.0°
C44N45H451122.7°120.0°
C44N45H452114.9°120.0°
H451N45H452122.4°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1HN11HN12125.2°179.9°
N1C2C3C6177.4°179.7°
N1C2C3C4177.0°179.9°
N1C2C3HC313.1°0.0°
N1C2C6C7176.9°179.7°
N1C2C6HC613.1°0.4°
HN11N1C2C3180.0°180.0°
HN11N1C2C62.6°0.3°
HN12N1C2C354.7°0.0°
HN12N1C2C6127.9°179.7°
C2C3C4HC31180.0°180.0°
C2C3C4C50.0°0.0°
C2C3C4HC41180.0°180.0°
C3C2C6C70.5°0.6°
C3C2C6HC61179.5°180.0°
C6C2C3C40.4°0.3°
C6C2C3HC31179.6°179.7°
C2C6C7C50.2°0.6°
C2C6C7HC61179.9°179.4°
C2C6C7C8162.4°179.7°
C3C4C5HC41180.0°180.0°
C3C4C5C70.3°0.0°
C3C4C5HC51179.7°179.9°
HC31C3C4C5179.9°180.0°
HC31C3C4HC410.1°0.1°
C4C5C7HC51180.0°179.9°
C4C5C7C60.2°0.3°
C4C5C7C8162.1°180.0°
HC41C4C5C7179.7°180.0°
HC41C4C5HC510.3°0.0°
C5C7C6C8162.2°179.7°
C5C7C6HC61179.8°180.0°
C5C7C8O9177.0°90.0°
C5C7C8HC8151.8°30.0°
C5C7C8HC8257.7°150.0°
HC51C5C7C6179.8°179.8°
HC51C5C7C817.8°0.1°
C6C7C8O915.4°90.3°
C6C7C8HC81109.9°149.7°
C6C7C8HC82140.7°29.7°
C8C7C6HC6117.6°0.3°
C7C8O9HC81125.2°120.0°
C7C8O9HC82125.3°120.0°
C7C8HC81HC82117.3°120.0°
C7C8O9C1084.1°180.0°
O9C8HC81HC82117.3°120.0°
C8O9C10O114.4°0.0°
C8O9C10N12178.6°180.0°
HC81C8O9C10150.7°60.0°
HC82C8O9C1041.2°60.0°
O9C10O11N12176.7°180.0°
O9C10N12C13178.4°174.9°
O9C10N12H1211.7°5.1°
O11C10N12C134.6°5.1°
O11C10N12H121175.3°174.9°
C10N12C13H121180.0°180.0°
C10N12C13C14133.2°56.6°
C10N12C13C21107.6°63.4°
C10N12C13H13113.9°176.7°
N12C13C14C21116.4°120.0°
N12C13C14H131121.9°120.0°
N12C13C21H131121.8°120.0°
N12C13C14C1560.0°60.0°
N12C13C14H14165.2°60.0°
N12C13C14H142174.8°180.0°
N12C13C21O2235.6°23.8°
N12C13C21N28142.8°156.2°
H121N12C13C1446.8°123.4°
H121N12C13C2172.4°116.6°
H121N12C13H131166.1°3.3°
C14C13C21H131119.4°120.0°
C13C14C15H141125.3°120.0°
C13C14C15H142125.2°120.0°
C13C14H141H142118.3°120.0°
C13C14C15C1681.0°90.0°
C13C14C15C1891.3°90.3°
C14C13C21O2283.2°96.3°
C14C13C21N2898.4°83.8°
C21C13C14C15176.4°180.0°
C21C13C14H14151.2°60.1°
C21C13C14H14258.3°60.0°
C13C21O22N28178.2°180.0°
C13C21N28C29178.9°174.6°
C13C21N28H2811.0°5.4°
H131C13C14C1561.9°60.0°
H131C13C14H141172.9°180.0°
H131C13C14H14263.3°60.0°
H131C13C21O22157.4°143.8°
H131C13C21N2821.0°36.2°
C15C14H141H142118.2°119.9°
C14C15C16C18172.5°179.7°
C14C15C16C17171.2°180.0°
C14C15C16H1618.8°0.0°
C14C15C18C19171.3°179.7°
C14C15C18H1818.7°0.2°
H141C14C15C16153.8°30.0°
H141C14C15C1833.9°149.7°
H142C14C15C1644.3°150.0°
H142C14C15C18143.4°29.8°
C15C16C17H161180.0°180.0°
C15C16C17C200.8°0.0°
C15C16C17H171179.1°179.9°
C16C15C18C191.2°0.6°
C16C15C18H181178.8°180.0°
C18C15C16C171.3°0.3°
C18C15C16H161178.7°179.7°
C15C18C19H181180.0°179.4°
C15C18C19C200.6°0.6°
C15C18C19H191179.4°179.7°
C16C17C20H171180.0°179.9°
C16C17C20C190.1°0.1°
C16C17C20O23177.6°180.0°
H161C16C17C20179.2°179.9°
H161C16C17H1710.9°0.1°
C17C20C19C180.0°0.2°
C17C20C19O23177.9°179.9°
C17C20C19H191179.9°180.0°
C17C20O23P2420.7°89.9°
H171C17C20C19179.8°180.0°
H171C17C20O232.4°0.1°
C18C19C20H191180.0°179.7°
C18C19C20O23177.9°179.7°
H181C18C19C20179.4°180.0°
H181C18C19H1910.6°0.3°
C19C20O23P24161.5°90.0°
H191C19C20O232.2°0.0°
C20O23P24O2571.5°179.9°
C20O23P24O26168.9°60.0°
C20O23P24O2746.8°60.0°
O22C21N28C290.6°5.3°
O22C21N28H281179.4°174.6°
C21N28C29H281180.0°179.9°
C21N28C29C30168.9°178.2°
C21N28C29C3463.3°58.3°
C21N28C29C3551.6°61.7°
O23P24O25O26121.8°120.0°
O23P24O25O27117.4°119.9°
O23P24O26O27120.1°120.0°
O23P24O25H251180.0°180.0°
O23P24O27H271179.9°60.0°
O25P24O26O27119.7°120.0°
O25P24O27H27161.8°60.0°
O26P24O25H25158.2°59.9°
O26P24O27H27157.4°180.0°
O27P24O25H25162.6°60.1°
N28C29C30C34123.2°120.0°
N28C29C30C35119.8°120.1°
N28C29C34C35115.2°120.0°
N28C29C30C3165.0°59.9°
N28C29C30H30160.2°60.0°
N28C29C30H302169.7°180.0°
N28C29C34C3367.2°60.0°
N28C29C34H341167.5°180.0°
N28C29C34H34258.0°60.0°
N28C29C35O36136.4°143.8°
N28C29C35N3742.6°36.1°
H281N28C29C3011.1°1.9°
H281N28C29C34116.6°121.8°
H281N28C29C35128.4°118.2°
C30C29C34C35114.5°119.9°
C29C30C31H301125.2°119.9°
C29C30C31H302125.3°120.1°
C29C30H301H302117.2°120.0°
C29C30C31C3247.9°60.0°
C29C30C31H31177.4°60.0°
C29C30C31H312173.1°179.9°
C30C29C34C3363.0°60.0°
C30C29C34H34162.2°60.0°
C30C29C34H342171.7°180.0°
C30C29C35O3697.4°96.1°
C30C29C35N3783.6°84.0°
C34C29C30C3158.2°60.0°
C34C29C30H301176.6°180.0°
C34C29C30H30267.1°60.1°
C29C34C33C3260.9°60.0°
C29C34C33H341125.3°120.0°
C29C34C33H342125.3°120.1°
C29C34C33H33164.4°60.0°
C29C34C33H332173.9°180.0°
C29C34H341H342119.3°120.1°
C34C29C35O3623.7°23.9°
C34C29C35N37155.3°156.1°
C35C29C30C31175.2°180.0°
C35C29C30H30159.6°60.1°
C35C29C30H30249.9°59.9°
C35C29C34C33177.6°180.0°
C35C29C34H34152.3°60.0°
C35C29C34H34257.2°60.0°
C29C35O36N37179.0°179.9°
C29C35N37C38179.4°175.9°
C29C35N37H3710.5°4.1°
C31C30H301H302117.2°120.0°
C30C31C32H311125.3°120.0°
C30C31C32H312125.3°120.0°
C30C31H311H312118.0°120.0°
C30C31C32C3348.0°60.0°
C30C31C32H321173.2°180.0°
C30C31C32H32277.3°60.0°
H301C30C31C32173.1°180.0°
H301C30C31H31147.8°60.0°
H301C30C31H31261.7°60.0°
H302C30C31C3277.4°60.1°
H302C30C31H311157.3°179.9°
H302C30C31H31247.8°59.9°
C32C31H311H312117.9°120.0°
C31C32C33H321125.3°120.0°
C31C32C33H322125.3°120.0°
C31C32H321H322117.0°120.1°
C31C32C33C3456.2°60.0°
C31C32C33H33169.1°60.0°
C31C32C33H332178.5°180.0°
H311C31C32C3377.3°60.0°
H311C31C32H32148.0°60.0°
H311C31C32H322157.5°180.0°
H312C31C32C33173.3°180.0°
H312C31C32H32161.5°60.0°
H312C31C32H32248.0°60.0°
C33C32H321H322116.9°119.9°
C32C33C34H331125.3°120.0°
C32C33C34H332125.3°120.0°
C32C33H331H332117.5°120.0°
C32C33C34H34164.4°60.1°
C32C33C34H342173.9°180.0°
H321C32C33C34178.5°180.0°
H321C32C33H33156.2°60.0°
H321C32C33H33253.2°59.9°
H322C32C33C3469.1°60.1°
H322C32C33H331165.6°179.9°
H322C32C33H33256.2°60.0°
C34C33H331H332117.5°120.1°
C33C34H341H342119.2°119.9°
H331C33C34H341170.3°180.0°
H331C33C34H34260.8°60.1°
H332C33C34H34160.8°59.9°
H332C33C34H34248.6°59.9°
O36C35N37C380.6°4.2°
O36C35N37H371179.4°175.9°
C35N37C38H371180.0°179.9°
C35N37C38C3984.4°93.6°
C35N37C38C43151.3°146.4°
C35N37C38H38137.1°26.5°
N37C38C39C43122.6°120.0°
N37C38C39H381123.2°120.0°
N37C38C43H381123.0°120.0°
N37C38C39C40143.0°60.0°
N37C38C39H39117.7°180.0°
N37C38C39H39291.7°60.0°
N37C38C43C42163.1°60.0°
N37C38C43C4443.4°60.0°
N37C38C43H43175.2°180.0°
H371N37C38C3995.6°86.5°
H371N37C38C4328.7°33.5°
H371N37C38H381143.0°153.5°
C39C38C43H381121.2°120.0°
C38C39C40H391125.3°120.0°
C38C39C40H392125.3°119.9°
C38C39H391H392114.5°120.0°
C38C39C40C410.7°60.1°
C38C39C40H401126.0°180.0°
C38C39C40H402124.6°59.9°
C39C38C43C4247.3°60.1°
C39C38C43C4472.4°180.0°
C39C38C43H431169.0°60.0°
C43C38C39C4020.4°60.1°
C43C38C39H391104.9°60.0°
C43C38C39H392145.7°180.0°
C38C43C42C4156.5°60.0°
C38C43C42C44123.7°120.0°
C38C43C42H431117.6°120.0°
C38C43C42H421178.3°180.0°
C38C43C42H42268.7°60.0°
C38C43C44H431117.4°120.0°
C38C43C44N45168.7°180.0°
C38C43C44O4612.1°0.0°
H381C38C39C4093.8°180.0°
H381C38C39H391140.9°59.9°
H381C38C39H39231.5°60.1°
H381C38C43C4273.9°180.0°
H381C38C43C44166.4°60.0°
H381C38C43H43147.8°60.0°
C40C39H391H392114.5°120.0°
C39C40C41H401125.3°120.0°
C39C40C41H402125.3°120.0°
C39C40H401H402112.3°120.0°
C39C40C41C429.6°60.1°
C39C40C41H411115.7°60.0°
C39C40C41H412134.9°180.0°
H391C39C40C41124.6°60.0°
H391C39C40H4010.7°60.0°
H391C39C40H402110.1°180.0°
H392C39C40C41126.0°180.0°
H392C39C40H401108.7°60.0°
H392C39C40H4020.7°60.0°
C41C40H401H402112.4°120.0°
C40C41C42H411125.3°120.1°
C40C41C42H412125.3°119.9°
C40C41H411H412116.5°120.0°
C40C41C42C4338.3°60.1°
C40C41C42H421163.6°180.0°
C40C41C42H42286.9°60.0°
H401C40C41C42134.9°180.0°
H401C40C41H4119.6°59.9°
H401C40C41H41299.8°60.0°
H402C40C41C42115.6°60.0°
H402C40C41H411119.0°179.9°
H402C40C41H4129.6°60.0°
C42C41H411H412116.6°120.0°
C41C42C43H421125.2°120.0°
C41C42C43H422125.2°120.0°
C41C42H421H422116.5°120.0°
C41C42C43C4467.2°180.0°
C41C42C43H431174.1°60.0°
H411C41C42C4387.0°60.0°
H411C41C42H42138.3°59.9°
H411C41C42H422147.8°180.0°
H412C41C42C43163.6°180.0°
H412C41C42H42171.2°60.0°
H412C41C42H42238.3°60.0°
C43C42H421H422116.6°120.0°
C42C43C44H431121.8°120.0°
C42C43C44N4547.9°60.0°
C42C43C44O46132.9°120.0°
H421C42C43C4458.1°60.0°
H421C42C43H43160.7°60.0°
H422C42C43C44167.6°60.0°
H422C42C43H43148.8°180.0°
C43C44N45O46179.2°179.9°
C43C44N45H4510.8°180.0°
C43C44N45H452180.0°0.4°
H431C43C44N4573.9°60.0°
H431C43C44O46105.3°120.0°
C44N45H451H452179.1°179.6°
O46C44N45H451180.0°0.1°
O46C44N45H4520.8°179.7°

217705

PDB entries from 2024-03-27

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