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86A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C37C36sing1.38Å1.42ÅAromatic
C37C38doub1.38Å1.42ÅAromatic
C37H37sing1.08Å1.08Å
C38C39sing1.38Å1.42ÅAromatic
C38H38sing1.08Å1.08Å
C39C40doub1.38Å1.42ÅAromatic
C39H39sing1.08Å1.08Å
C40C41sing1.38Å1.42ÅAromatic
C40H40sing1.08Å1.08Å
C41C36doub1.38Å1.42ÅAromatic
C41H41sing1.08Å1.08Å
C36C33sing1.51Å1.54Å
C33C24sing1.53Å1.53Å
C33H331sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C24C30sing1.51Å1.53Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C30N29sing1.35Å1.34Å
C30O31doub1.21Å1.23Å
N29C25sing1.46Å1.48Å
N29HN29sing0.97Å1.00Å
C25C26sing1.53Å1.54Å
C25P24sing1.82Å1.84Å
C25H25sing1.09Å1.10Å
C26C27sing1.53Å1.53Å
C26C28sing1.53Å1.54Å
C26H26sing1.09Å1.10Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C28H283sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
P24O34doub1.48Å1.48Å
P24O23sing1.61Å1.60Å
P24O35sing1.61Å1.48Å
O35HO35sing0.97Å0.95Å
O23C1sing1.43Å1.43Å
C1C3sing1.51Å1.55Å
C1C2sing1.51Å1.55Å
C1H1sing1.09Å1.10Å
C2O14doub1.21Å1.25Å
C2O13sing1.34Å1.25Å
O13HO13sing0.97Å0.95Å
C3C4doub1.38Å1.42ÅAromatic
C3C8sing1.38Å1.41ÅAromatic
C8C7doub1.39Å1.41ÅAromatic
C8H8sing1.08Å1.08Å
C4C5sing1.38Å1.42ÅAromatic
C4H4sing1.08Å1.08Å
C5C6doub1.38Å1.43ÅAromatic
C5H5sing1.08Å1.08Å
C6C7sing1.39Å1.42ÅAromatic
C6H6sing1.08Å1.08Å
C7N9sing1.40Å1.34Å
N9C10sing1.38Å1.35Å
N9HN9sing0.97Å1.00Å
C10N11sing1.37Å1.33Å
C10N12doub1.30Å1.35Å
N12HN12sing0.97Å1.00Å
N11H111sing0.97Å1.00Å
N11H112sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C36C37C38120.1°120.0°
C36C37H37120.0°120.0°
C37C36C41119.9°120.0°
C37C36C33120.0°120.0°
C38C37H37120.0°120.0°
C37C38C39120.0°120.0°
C37C38H38120.0°120.0°
C39C38H38120.0°120.0°
C38C39C40120.0°120.0°
C38C39H39120.0°120.0°
C40C39H39120.0°120.0°
C39C40C41120.0°120.0°
C39C40H40120.0°120.0°
C41C40H40120.0°120.0°
C40C41C36120.0°120.0°
C40C41H41120.0°120.0°
C36C41H41120.0°120.0°
C41C36C33120.2°120.0°
C36C33C24111.5°109.4°
C36C33H331108.8°109.5°
C36C33H332108.3°109.5°
C24C33H331108.8°109.5°
C24C33H332108.3°109.4°
C33C24C30111.0°109.5°
C33C24H241109.0°109.5°
C33C24H242108.6°109.5°
H331C33H332111.1°109.5°
C30C24H241108.9°109.5°
C30C24H242108.6°109.4°
C24C30N29115.0°120.0°
C24C30O31120.7°120.0°
H241C24H242110.7°109.5°
N29C30O31124.3°120.0°
C30N29C25121.5°120.0°
C30N29HN29119.3°120.0°
C25N29HN29119.3°120.0°
N29C25C26111.9°109.4°
N29C25P24110.0°109.5°
N29C25H25109.3°109.5°
C26C25P24114.3°109.4°
C26C25H25104.5°109.5°
C25C26C27113.1°109.5°
C25C26C28110.1°109.5°
C25C26H26106.9°109.5°
P24C25H25106.6°109.5°
C25P24O34109.4°109.4°
C25P24O23106.3°109.5°
C25P24O35105.4°109.5°
C27C26C28110.3°109.4°
C27C26H26106.6°109.5°
C26C27H271109.5°109.4°
C26C27H272109.4°109.5°
C26C27H273109.4°109.5°
C28C26H26109.8°109.5°
C26C28H281109.5°109.5°
C26C28H282109.5°109.5°
C26C28H283109.5°109.5°
H281C28H282109.5°109.5°
H281C28H283109.5°109.4°
H282C28H283109.5°109.4°
H271C27H272109.5°109.5°
H271C27H273109.5°109.4°
H272C27H273109.5°109.5°
O34P24O23108.7°109.5°
O34P24O35118.6°109.5°
O23P24O35107.9°109.5°
P24O23C1116.0°123.0°
P24O35HO35109.5°113.9°
O23C1C3112.3°109.4°
O23C1C2110.8°109.5°
O23C1H1107.5°109.4°
C3C1C2112.1°109.5°
C3C1H1106.2°109.5°
C1C3C4121.8°120.0°
C1C3C8118.8°119.9°
C2C1H1107.7°109.5°
C1C2O14116.5°120.0°
C1C2O13117.6°120.0°
O14C2O13125.8°120.0°
C2O13HO13109.5°117.0°
C4C3C8119.5°120.1°
C3C4C5119.7°120.2°
C3C4H4120.1°119.9°
C3C8C7121.5°119.9°
C3C8H8119.3°120.1°
C7C8H8119.2°120.0°
C8C7C6119.4°119.9°
C8C7N9119.2°120.1°
C5C4H4120.1°119.9°
C4C5C6120.1°120.0°
C4C5H5120.0°120.0°
C6C5H5119.9°119.9°
C5C6C7119.8°119.9°
C5C6H6120.1°120.0°
C7C6H6120.1°120.0°
C6C7N9121.4°120.1°
C7N9C10123.1°120.0°
C7N9HN9118.5°120.0°
C10N9HN9118.4°120.0°
N9C10N11119.2°120.0°
N9C10N12121.5°120.0°
N11C10N12119.3°120.0°
C10N11H111110.2°120.0°
C10N11H112124.9°120.0°
C10N12HN12110.3°120.0°
H111N11H112124.9°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C36C37C38H37180.0°179.8°
C36C37C38C390.0°0.0°
C36C37C38H38180.0°180.0°
C37C36C41C400.1°0.1°
C37C36C41C33179.5°179.9°
C37C36C41H41179.9°180.0°
C37C36C33C2497.6°90.0°
C37C36C33H331142.5°150.0°
C37C36C33H33221.6°30.0°
C37C38C39H38180.0°180.0°
C37C38C39C400.1°NaN°
C37C38C39H39180.0°180.0°
C38C37C36C410.0°0.1°
C38C37C36C33179.6°180.0°
H37C37C38C39180.0°179.7°
H37C37C38H380.0°0.2°
H37C37C36C41180.0°179.7°
H37C37C36C330.4°0.2°
C38C39C40H39180.0°180.0°
C38C39C40C410.0°0.0°
C38C39C40H40180.0°179.9°
H38C38C39C40180.0°180.0°
H38C38C39H390.0°0.0°
C39C40C41H40180.0°180.0°
C39C40C41C360.1°0.1°
C39C40C41H41179.9°180.0°
H39C39C40C41180.0°180.0°
H39C39C40H400.0°0.1°
C40C41C36H41180.0°179.9°
C40C41C36C33179.6°180.0°
H40C40C41C36180.0°179.9°
H40C40C41H410.1°0.0°
C41C36C33C2482.9°90.1°
C41C36C33H33137.1°29.9°
C41C36C33H332158.0°149.9°
H41C41C36C330.4°0.1°
C36C33C24H331120.0°120.0°
C36C33C24H332119.1°120.0°
C36C33H331H332119.2°120.1°
C36C33C24C30164.5°180.0°
C36C33C24H24144.5°60.0°
C36C33C24H24276.2°60.0°
C24C33H331H332119.2°120.0°
C33C24C30H241120.0°120.1°
C33C24C30H242119.3°119.9°
C33C24H241H242119.4°120.0°
C33C24C30N29104.8°180.0°
C33C24C30O3175.6°0.0°
H331C33C24C3075.5°60.0°
H331C33C24H241164.5°179.9°
H331C33C24H24243.8°60.0°
H332C33C24C3045.4°60.0°
H332C33C24H24174.6°60.1°
H332C33C24H242164.7°180.0°
C30C24H241H242119.4°120.0°
C24C30N29O31179.6°180.0°
C24C30N29C25179.9°180.0°
C24C30N29HN290.1°0.1°
H241C24C30N29135.2°59.9°
H241C24C30O3144.4°120.0°
H242C24C30N2914.6°60.0°
H242C24C30O31165.1°120.0°
C30N29C25HN29180.0°180.0°
C30N29C25C26122.9°135.0°
C30N29C25P24108.9°105.0°
C30N29C25H257.7°15.0°
O31C30N29C250.3°0.0°
O31C30N29HN29179.8°180.0°
N29C25C26P24125.8°120.0°
N29C25C26H25118.1°120.0°
N29C25P24H25118.3°120.0°
N29C25C26C2752.2°59.8°
N29C25C26C2871.7°179.7°
N29C25C26H26169.2°60.3°
N29C25P24O34177.7°54.7°
N29C25P24O2360.5°174.7°
N29C25P24O3553.8°65.3°
HN29N29C25C2657.1°45.0°
HN29N29C25P2471.0°74.9°
HN29N29C25H25172.3°165.0°
C26C25P24H25114.8°120.0°
C25C26C27C28123.7°120.0°
C25C26C27H26117.1°120.1°
C25C26C28H26117.4°120.0°
C25C26C28H28110.2°54.4°
C25C26C28H282130.2°174.4°
C25C26C28H283109.9°65.6°
C25C26C27H271127.9°60.0°
C25C26C27H272112.1°180.0°
C25C26C27H2738.0°59.9°
C26C25P24O3450.9°174.7°
C26C25P24O2366.3°65.4°
C26C25P24O35179.4°54.7°
P24C25C26C2773.6°179.7°
P24C25C26C28162.5°60.3°
P24C25C26H2643.3°59.7°
C25P24O34O23115.6°120.0°
C25P24O34O35120.7°120.0°
C25P24O23O35112.6°120.0°
C25P24O35HO35175.2°60.0°
C25P24O23C1167.6°175.0°
H25C25C26C27170.3°60.3°
H25C25C26C2846.4°59.7°
H25C25C26H2672.7°179.7°
H25C25P24O3463.9°65.3°
H25C25P24O23178.9°54.7°
H25C25P24O3564.6°174.7°
C27C26C28H26117.2°120.0°
C27C26C28H281115.3°65.6°
C27C26C28H2824.7°54.4°
C27C26C28H283124.7°174.4°
C26C27H271H272120.0°120.0°
C26C27H271H273120.0°120.0°
C26C27H272H273120.0°120.0°
C26C28H281H282120.0°120.1°
C26C28H281H283120.0°120.0°
C26C28H282H283120.0°120.0°
C28C26C27H271108.3°180.0°
C28C26C27H27211.7°60.0°
C28C26C27H273131.7°60.0°
H26C26C28H281127.5°174.4°
H26C26C28H282112.5°65.5°
H26C26C28H2837.5°54.5°
H26C26C27H27110.8°60.1°
H26C26C27H272130.8°60.0°
H26C26C27H273109.2°180.0°
H281C28H282H283120.0°119.9°
H271C27H272H273120.0°120.0°
O34P24O23O35129.8°120.0°
O34P24O35HO3552.4°179.9°
O34P24O23C174.7°55.1°
O23P24O35HO3571.6°60.1°
P24O23C1C3148.8°120.0°
P24O23C1C285.0°120.0°
P24O23C1H132.4°0.0°
O35P24O23C155.1°64.9°
O23C1C3C2125.5°120.0°
O23C1C3H1117.2°120.0°
O23C1C2H1117.3°120.0°
O23C1C2O14142.8°0.0°
O23C1C2O1335.9°180.0°
O23C1C3C413.9°40.0°
O23C1C3C8168.0°139.7°
C3C1C2H1116.4°120.0°
C3C1C2O1491.0°120.0°
C3C1C2O1390.3°60.0°
C1C3C4C8178.1°179.8°
C1C3C8C7178.4°180.0°
C1C3C8H81.6°0.0°
C1C3C4C5178.1°180.0°
C1C3C4H41.8°0.1°
C1C2O14O13178.6°180.0°
C1C2O13HO13178.6°180.0°
C2C1C3C4139.4°80.0°
C2C1C3C842.5°100.2°
H1C1C2O1425.5°120.0°
H1C1C2O13153.2°60.0°
H1C1C3C4103.3°160.0°
H1C1C3C874.9°19.8°
O14C2O13HO130.0°0.0°
C4C3C8C70.2°0.2°
C4C3C8H8179.8°179.8°
C3C4C5H4180.0°180.0°
C3C4C5C60.2°0.0°
C3C4C5H5179.8°179.9°
C3C8C7H8180.0°180.0°
C8C3C4C50.0°0.2°
C8C3C4H4179.9°179.7°
C3C8C7C60.3°0.0°
C3C8C7N9178.8°180.0°
C8C7C6C50.1°0.2°
C8C7C6N9178.5°180.0°
C8C7C6H6179.9°180.0°
C8C7N9C1058.6°139.0°
C8C7N9HN9121.4°41.1°
H8C8C7C6179.7°180.0°
H8C8C7N91.2°0.0°
C4C5C6H5180.0°179.9°
C4C5C6C70.1°0.2°
C4C5C6H6179.9°180.0°
H4C4C5C6179.9°179.9°
H4C4C5H50.1°0.0°
C5C6C7H6180.0°179.8°
C5C6C7N9178.6°179.8°
H5C5C6C7179.9°179.7°
H5C5C6H60.1°0.1°
C6C7N9C10122.9°41.0°
C6C7N9HN957.1°139.0°
H6C6C7N91.4°0.0°
C7N9C10HN9180.0°179.9°
C7N9C10N11176.2°5.4°
C7N9C10N125.5°174.5°
N9C10N11N12178.4°180.0°
N9C10N12HN120.9°5.1°
N9C10N11H111180.0°0.1°
N9C10N11H1120.0°179.9°
HN9N9C10N113.8°174.6°
HN9N9C10N12174.5°5.4°
N11C10N12HN12179.2°174.9°
C10N11H111H112180.0°179.9°
N12C10N11H1111.6°179.9°
N12C10N11H112178.4°0.1°

222415

PDB entries from 2024-07-10

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