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414

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C37C38doub1.38Å1.42ÅAromatic
C37C36sing1.38Å1.42ÅAromatic
C37H37sing1.08Å1.08Å
C38C39sing1.38Å1.42ÅAromatic
C38H38sing1.08Å1.08Å
C39C40doub1.38Å1.42ÅAromatic
C39H39sing1.08Å1.08Å
C40C41sing1.38Å1.42ÅAromatic
C40H40sing1.08Å1.08Å
C41C36doub1.38Å1.43ÅAromatic
C41H41sing1.08Å1.08Å
C36C33sing1.51Å1.40Å
C33O32sing1.45Å1.44Å
C33H331sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
O32C30sing1.35Å1.37Å
C30N29sing1.35Å1.33Å
C30O31doub1.21Å1.24Å
N29C25sing1.47Å1.46Å
N29HN29sing0.97Å1.00Å
C25P24sing1.82Å1.84Å
C25C50sing1.53Å1.54Å
C25H25sing1.09Å1.10Å
C50C51sing1.53Å1.57Å
C50C55sing1.53Å1.57Å
C50H50sing1.09Å1.10Å
C51C52sing1.53Å1.55Å
C51H511sing1.09Å1.10Å
C51H512sing1.09Å1.10Å
C52C53sing1.53Å1.55Å
C52H521sing1.09Å1.10Å
C52H522sing1.09Å1.10Å
C53C54sing1.53Å1.54Å
C53H531sing1.09Å1.10Å
C53H532sing1.09Å1.10Å
C54C55sing1.53Å1.54Å
C54H541sing1.09Å1.10Å
C54H542sing1.09Å1.10Å
C55H551sing1.09Å1.10Å
C55H552sing1.09Å1.10Å
P24O23sing1.61Å1.62Å
P24O35doub1.48Å1.48Å
P24O34sing1.61Å1.48Å
O34HO34sing0.97Å0.95Å
O23C1sing1.43Å1.46Å
C1C3sing1.51Å1.56Å
C1C2sing1.51Å1.55Å
C1H1sing1.09Å1.10Å
C2O13doub1.21Å1.25Å
C2O14sing1.34Å1.26Å
O14HO14sing0.97Å0.95Å
C3C8doub1.38Å1.42ÅAromatic
C3C4sing1.38Å1.42ÅAromatic
C8C7sing1.39Å1.43ÅAromatic
C8H8sing1.08Å1.08Å
C4C5doub1.38Å1.42ÅAromatic
C4H4sing1.08Å1.08Å
C5C6sing1.38Å1.42ÅAromatic
C5H5sing1.08Å1.08Å
C6C7doub1.39Å1.42ÅAromatic
C6H6sing1.08Å1.08Å
C7N9sing1.40Å1.35Å
N9C10sing1.38Å1.35Å
N9HN9sing0.97Å1.00Å
C10N11sing1.38Å1.33Å
C10N12doub1.30Å1.34Å
N12HN12sing0.97Å1.00Å
N11H111sing0.97Å1.00Å
N11H112sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C38C37C36119.8°120.0°
C38C37H37120.1°120.0°
C37C38C39120.1°120.0°
C37C38H38119.9°120.0°
C36C37H37120.1°120.0°
C37C36C41119.8°120.0°
C37C36C33120.1°120.0°
C39C38H38119.9°120.0°
C38C39C40120.2°120.0°
C38C39H39119.9°120.0°
C40C39H39119.9°120.0°
C39C40C41119.7°120.0°
C39C40H40120.1°120.0°
C41C40H40120.1°120.0°
C40C41C36120.3°120.0°
C40C41H41119.8°120.0°
C36C41H41119.9°120.0°
C41C36C33120.0°120.0°
C36C33O32117.9°109.5°
C36C33H331106.7°109.5°
C36C33H332104.8°109.5°
O32C33H331106.8°109.5°
O32C33H332104.8°109.4°
C33O32C30117.7°117.0°
H331C33H332116.3°109.5°
O32C30N29114.4°120.0°
O32C30O31121.7°120.0°
N29C30O31123.9°120.0°
C30N29C25124.6°120.0°
C30N29HN29117.7°120.0°
C25N29HN29117.7°120.0°
N29C25P24108.6°109.5°
N29C25C50110.4°109.5°
N29C25H25112.0°109.4°
P24C25C50116.0°109.5°
P24C25H25105.9°109.4°
C25P24O23108.4°109.5°
C25P24O35102.2°109.4°
C25P24O34109.4°109.5°
C50C25H25103.8°109.5°
C25C50C51111.7°109.5°
C25C50C55108.8°109.5°
C25C50H50108.6°109.5°
C51C50C55110.0°109.5°
C51C50H50107.4°109.5°
C50C51C52111.5°109.4°
C50C51H511108.8°109.5°
C50C51H512108.4°109.5°
C55C50H50110.3°109.5°
C50C55C54113.0°109.5°
C50C55H551108.3°109.5°
C50C55H552107.5°109.5°
C52C51H511108.8°109.5°
C52C51H512108.3°109.5°
C51C52C53111.2°109.5°
C51C52H521108.9°109.4°
C51C52H522108.5°109.5°
H511C51H512111.1°109.5°
C53C52H521108.9°109.5°
C53C52H522108.5°109.5°
C52C53C54110.3°109.5°
C52C53H531109.2°109.5°
C52C53H532109.0°109.5°
H521C52H522110.8°109.5°
C54C53H531109.2°109.4°
C54C53H532109.0°109.5°
C53C54C55110.3°109.5°
C53C54H541109.2°109.5°
C53C54H542109.0°109.5°
H531C53H532110.1°109.5°
C55C54H541109.2°109.5°
C55C54H542109.0°109.5°
C54C55H551108.3°109.5°
C54C55H552107.5°109.5°
H541C54H542110.1°109.5°
H551C55H552112.3°109.4°
O23P24O35106.7°109.4°
O23P24O34110.0°109.5°
P24O23C1116.3°123.0°
O35P24O34119.7°109.5°
P24O34HO34109.5°114.1°
O23C1C3112.2°109.5°
O23C1C2111.1°109.5°
O23C1H1107.6°109.5°
C3C1C2112.7°109.5°
C3C1H1105.8°109.4°
C1C3C8120.3°120.0°
C1C3C4120.7°120.0°
C2C1H1107.0°109.4°
C1C2O13117.5°120.0°
C1C2O14116.8°120.1°
O13C2O14125.6°120.0°
C2O14HO14109.5°117.1°
C8C3C4118.9°120.0°
C3C8C7121.1°120.0°
C3C8H8119.5°120.0°
C3C4C5120.2°120.2°
C3C4H4119.9°119.9°
C7C8H8119.5°120.0°
C8C7C6119.5°119.8°
C8C7N9120.5°120.1°
C5C4H4119.9°119.9°
C4C5C6120.4°120.1°
C4C5H5119.8°120.0°
C6C5H5119.8°120.0°
C5C6C7119.9°119.9°
C5C6H6120.0°120.0°
C7C6H6120.1°120.1°
C6C7N9120.0°120.1°
C7N9C10123.3°120.0°
C7N9HN9118.4°120.0°
C10N9HN9118.3°120.0°
N9C10N11118.8°120.0°
N9C10N12121.5°120.0°
N11C10N12119.7°120.0°
C10N11H111110.2°120.0°
C10N11H112124.9°120.0°
C10N12HN12110.2°120.0°
H111N11H112124.9°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C38C37C36H37180.0°179.7°
C37C38C39H38180.0°179.9°
C37C38C39C400.0°0.1°
C37C38C39H39180.0°180.0°
C38C37C36C410.0°0.1°
C38C37C36C33179.5°180.0°
C36C37C38C390.1°0.0°
C36C37C38H38179.9°180.0°
C37C36C41C400.1°0.1°
C37C36C41C33179.5°179.9°
C37C36C41H41179.9°180.0°
C37C36C33O32170.4°90.0°
C37C36C33H33169.6°150.0°
C37C36C33H33254.4°30.0°
H37C37C38C39179.9°179.7°
H37C37C38H380.1°0.3°
H37C37C36C41180.0°179.6°
H37C37C36C330.5°0.3°
C38C39C40H39180.0°179.9°
C38C39C40C410.1°0.1°
C38C39C40H40179.9°180.0°
H38C38C39C40180.0°180.0°
H38C38C39H390.0°0.1°
C39C40C41H40180.0°179.9°
C39C40C41C360.1°0.0°
C39C40C41H41179.9°179.9°
H39C39C40C41179.9°180.0°
H39C39C40H400.1°0.1°
C40C41C36H41180.0°179.9°
C40C41C36C33179.4°180.0°
H40C40C41C36179.9°179.9°
H40C40C41H410.1°0.0°
C41C36C33O329.1°90.1°
C41C36C33H331110.9°29.9°
C41C36C33H332125.1°149.9°
H41C41C36C330.6°0.1°
C36C33O32H331120.0°120.0°
C36C33O32H332116.0°120.0°
C36C33H331H332116.5°120.0°
C36C33O32C30176.8°180.0°
O32C33H331H332116.5°120.0°
C33O32C30N29179.4°180.0°
C33O32C30O311.9°0.1°
H331C33O32C3056.8°59.9°
H332C33O32C3067.2°60.0°
O32C30N29O31178.6°179.9°
O32C30N29C25179.8°180.0°
O32C30N29HN290.3°0.1°
C30N29C25HN29180.0°179.9°
C30N29C25P24112.2°104.9°
C30N29C25C50119.5°135.0°
C30N29C25H254.3°15.0°
O31C30N29C251.1°0.1°
O31C30N29HN29178.9°180.0°
N29C25P24C50125.0°120.0°
N29C25P24H25120.4°119.9°
N29C25C50H25120.2°120.0°
N29C25C50C5151.8°55.0°
N29C25C50C5569.9°175.0°
N29C25C50H50170.0°65.0°
N29C25P24O2356.3°175.0°
N29C25P24O3556.0°65.1°
N29C25P24O34176.2°55.0°
HN29N29C25P2467.7°75.0°
HN29N29C25C5060.5°45.0°
HN29N29C25H25175.7°165.0°
P24C25C50H25115.7°120.0°
P24C25C50C5172.3°175.0°
P24C25C50C55166.0°65.0°
P24C25C50H5045.9°55.0°
C25P24O23O35109.3°119.9°
C25P24O23O34119.5°120.0°
C25P24O35O34120.9°120.0°
C25P24O34HO3488.0°60.0°
C25P24O23C1161.4°175.0°
C25C50C51C55121.0°120.0°
C25C50C51H50118.9°120.0°
C25C50C55H50119.0°120.0°
C25C50C51C52173.7°180.0°
C25C50C51H51153.8°60.0°
C25C50C51H51267.1°60.0°
C25C50C55C54175.8°180.0°
C25C50C55H55164.2°60.0°
C25C50C55H55257.3°60.0°
C50C25P24O2368.7°65.0°
C50C25P24O35178.9°55.0°
C50C25P24O3451.2°175.0°
H25C25C50C51172.0°65.0°
H25C25C50C5550.3°55.0°
H25C25C50H5069.8°175.0°
H25C25P24O23176.8°55.1°
H25C25P24O3564.4°175.0°
H25C25P24O3463.3°65.0°
C51C50C55H50118.3°120.0°
C50C51C52H511120.0°120.0°
C50C51C52H512119.2°120.0°
C50C51H511H512119.2°120.0°
C50C51C52C5356.7°60.0°
C50C51C52H521176.7°180.0°
C50C51C52H52262.6°60.0°
C51C50C55C5453.1°60.0°
C51C50C55H551173.0°180.0°
C51C50C55H55265.4°60.0°
C55C50C51C5252.7°60.0°
C55C50C51H51167.2°60.0°
C55C50C51H512171.9°180.0°
C50C55C54C5356.0°60.0°
C50C55C54H551120.0°120.0°
C50C55C54H552118.4°120.0°
C50C55C54H541175.9°180.0°
C50C55C54H54263.7°60.0°
C50C55H551H552118.6°120.0°
H50C50C51C5267.3°60.0°
H50C50C51H511172.7°180.0°
H50C50C51H51251.8°60.0°
H50C50C55C5465.2°60.0°
H50C50C55H55154.8°60.0°
H50C50C55H552176.3°180.0°
C52C51H511H512119.2°120.0°
C51C52C53H521120.0°120.0°
C51C52C53H522119.3°120.0°
C51C52H521H522119.3°120.0°
C51C52C53C5458.8°60.0°
C51C52C53H53161.2°60.0°
C51C52C53H532178.5°180.0°
H511C51C52C5363.3°60.0°
H511C51C52H52156.7°60.0°
H511C51C52H522177.4°180.0°
H512C51C52C53175.8°180.0°
H512C51C52H52164.2°60.0°
H512C51C52H52256.6°60.0°
C53C52H521H522119.3°120.0°
C52C53C54H531120.0°120.0°
C52C53C54H532119.6°120.0°
C52C53H531H532119.7°120.0°
C52C53C54C5557.8°60.0°
C52C53C54H541177.8°180.0°
C52C53C54H54261.8°60.0°
H521C52C53C54178.8°180.0°
H521C52C53H53158.8°60.0°
H521C52C53H53261.5°60.0°
H522C52C53C5460.5°60.0°
H522C52C53H531179.5°180.0°
H522C52C53H53259.2°60.0°
C54C53H531H532119.7°120.0°
C53C54C55H541120.0°120.0°
C53C54C55H542119.7°120.0°
C53C54H541H542119.7°120.0°
C53C54C55H551175.9°180.0°
C53C54C55H55262.5°60.0°
H531C53C54C5562.2°60.0°
H531C53C54H54157.8°60.1°
H531C53C54H542178.2°180.0°
H532C53C54C55177.4°180.0°
H532C53C54H54162.6°60.0°
H532C53C54H54257.8°60.0°
C55C54H541H542119.6°120.0°
C54C55H551H552118.6°120.0°
H541C54C55H55164.1°60.0°
H541C54C55H55257.5°60.0°
H542C54C55H55156.3°60.0°
H542C54C55H552177.8°180.0°
O23P24O35O34125.5°120.0°
O23P24O34HO34153.1°60.0°
P24O23C1C3144.2°119.9°
P24O23C1C288.7°120.0°
P24O23C1H128.2°0.1°
O35P24O34HO3429.2°180.0°
O35P24O23C152.1°55.1°
O34P24O23C179.1°64.9°
O23C1C3C2126.3°120.0°
O23C1C3H1117.0°120.1°
O23C1C2H1117.2°120.0°
O23C1C2O1325.1°0.0°
O23C1C2O14151.8°180.0°
O23C1C3C8164.7°140.0°
O23C1C3C418.5°39.7°
C3C1C2H1115.9°119.9°
C3C1C2O13101.7°120.0°
C3C1C2O1481.3°60.0°
C1C3C8C4176.8°179.7°
C1C3C8C7177.0°180.0°
C1C3C8H83.0°0.0°
C1C3C4C5176.7°180.0°
C1C3C4H43.3°0.1°
C1C2O13O14176.6°180.0°
C1C2O14HO14176.6°180.0°
C2C1C3C838.4°100.0°
C2C1C3C4144.9°80.3°
H1C1C2O13142.3°120.1°
H1C1C2O1434.6°60.0°
H1C1C3C878.2°20.0°
H1C1C3C498.5°159.8°
O13C2O14HO140.0°0.0°
C3C8C7H8180.0°180.0°
C8C3C4C50.0°0.2°
C8C3C4H4180.0°179.8°
C3C8C7C60.4°0.0°
C3C8C7N9178.9°180.0°
C4C3C8C70.2°0.2°
C4C3C8H8179.8°179.7°
C3C4C5H4180.0°180.0°
C3C4C5C60.1°0.0°
C3C4C5H5179.8°180.0°
C8C7C6C50.3°0.3°
C8C7C6N9178.6°179.9°
C8C7C6H6179.7°180.0°
C8C7N9C1056.7°141.4°
C8C7N9HN9123.3°38.6°
H8C8C7C6179.6°180.0°
H8C8C7N91.1°0.0°
C4C5C6H5180.0°180.0°
C4C5C6C70.0°0.3°
C4C5C6H6180.0°180.0°
H4C4C5C6179.8°180.0°
H4C4C5H50.2°0.0°
C5C6C7H6180.0°179.7°
C5C6C7N9178.8°179.7°
H5C5C6C7180.0°179.7°
H5C5C6H60.0°0.0°
C6C7N9C10124.8°38.5°
C6C7N9HN955.3°141.4°
H6C6C7N91.2°0.1°
C7N9C10HN9180.0°179.9°
C7N9C10N11177.2°5.9°
C7N9C10N123.9°174.1°
N9C10N11N12179.0°180.0°
N9C10N12HN120.6°0.0°
N9C10N11H111180.0°11.1°
N9C10N11H1120.0°168.7°
HN9N9C10N112.8°174.1°
HN9N9C10N12176.1°5.9°
N11C10N12HN12179.5°180.0°
C10N11H111H112180.0°179.9°
N12C10N11H1111.1°168.9°
N12C10N11H112178.9°11.3°

223532

PDB entries from 2024-08-07

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