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WE6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.43Å
C2C3sing1.53Å1.45Å
C1C4sing1.53Å1.46Å
S5C6sing1.70Å1.60ÅAromatic
C6C7doub1.36Å1.45ÅAromatic
C4C8sing1.52Å1.54Å
C7C8sing1.45Å1.53ÅAromatic
C3C9sing1.52Å1.53Å
S5C9sing1.76Å1.60ÅAromatic
C8C9doub1.34Å1.51ÅAromatic
C7C10sing1.47Å1.48Å
C10N11doub1.32Å1.35ÅAromatic
N11C12sing1.34Å1.35ÅAromatic
C12N13doub1.30Å1.35ÅAromatic
C10O14sing1.34Å1.35ÅAromatic
N13O14sing1.21Å1.38ÅAromatic
C12C15sing1.51Å1.53Å
C6N16sing1.39Å1.40Å
N16C17sing1.35Å1.43Å
C17N18sing1.35Å1.42Å
C17O19doub1.22Å1.24Å
N18C20sing1.47Å1.44Å
C20C21sing1.54Å1.52Å
C21C22sing1.55Å1.49Å
N18C23sing1.47Å1.45Å
C22C23sing1.55Å1.48Å
C20C24sing1.51Å1.48Å
C24O25doub1.21Å1.30Å
C24O26sing1.34Å1.27Å
C15C27sing1.53Å1.49Å
C15C28sing1.53Å1.49Å
C27C28sing1.53Å1.49Å
C15H37sing1.09Å1.10Å
C20H39sing1.09Å1.10Å
C21H40sing1.09Å1.10Å
C21H41sing1.09Å1.10Å
C22H43sing1.09Å1.10Å
C22H42sing1.09Å1.10Å
C23H45sing1.09Å1.10Å
C23H44sing1.09Å1.10Å
C27H47sing1.09Å1.10Å
C27H48sing1.09Å1.10Å
C28H50sing1.09Å1.10Å
C28H49sing1.09Å1.10Å
C1H29sing1.09Å1.10Å
C1H30sing1.09Å1.10Å
C2H31sing1.09Å1.10Å
C2H32sing1.09Å1.10Å
C3H33sing1.09Å1.10Å
C3H34sing1.09Å1.10Å
C4H35sing1.09Å1.10Å
C4H36sing1.09Å1.10Å
N16H38sing0.97Å1.00Å
O26H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3118.7°109.0°
C2C1C4118.2°109.2°
C2C1H29107.3°109.5°
C2C1H30107.3°109.6°
C1C2H31107.1°109.5°
C1C2H32107.1°109.6°
C2C3C9119.1°108.7°
C3C2H31107.1°109.6°
C3C2H32107.1°109.5°
C2C3H33107.0°109.6°
C2C3H34107.0°109.6°
C1C4C8120.1°108.8°
C4C1H29107.2°109.5°
C4C1H30107.2°109.5°
C1C4H35106.8°109.6°
C1C4H36106.8°109.6°
S5C6C7112.1°110.8°
C6S5C9100.4°92.7°
S5C6N16128.6°124.6°
C6C7C8109.2°113.4°
C6C7C10125.0°123.3°
C7C6N16119.3°124.6°
C4C8C7133.0°124.1°
C4C8C9119.4°123.5°
C8C4H35106.8°109.6°
C8C4H36106.7°109.6°
C7C8C9107.6°112.4°
C8C7C10125.5°123.3°
C3C9S5136.2°124.9°
C3C9C8113.1°124.3°
C9C3H33107.0°109.6°
C9C3H34107.0°109.6°
S5C9C8110.6°110.7°
C7C10N11123.9°126.7°
C7C10O14127.1°126.7°
C10N11C12108.5°105.5°
N11C10O14108.6°106.6°
N11C12N13107.9°107.6°
N11C12C15124.3°126.2°
C12N13O14108.1°110.6°
N13C12C15127.7°126.2°
C10O14N13106.8°109.6°
C12C15C27116.4°117.5°
C12C15C28114.7°117.5°
C12C15H37117.2°115.6°
C6N16C17120.6°120.0°
C6N16H38119.7°120.1°
N16C17N18111.9°119.9°
N16C17O19124.5°120.0°
C17N16H38119.7°120.0°
N18C17O19123.6°120.1°
C17N18C20121.3°125.6°
C17N18C23125.3°125.7°
N18C20C2199.9°107.2°
C20N18C23113.4°108.7°
N18C20C24115.9°109.8°
N18C20H39109.8°110.0°
C20C21C22102.4°103.0°
C21C20C24112.7°109.9°
C21C20H39108.8°109.9°
C20C21H40111.2°110.7°
C20C21H41111.2°110.7°
C21C22C23103.2°101.6°
C22C21H40111.2°110.8°
C22C21H41111.2°110.7°
C21C22H43111.0°110.9°
C21C22H42111.0°111.0°
N18C23C22102.2°104.9°
N18C23H45111.3°110.3°
N18C23H44111.3°110.5°
C23C22H43111.0°111.0°
C23C22H42111.0°111.0°
C22C23H45111.2°110.4°
C22C23H44111.2°110.4°
C20C24O25117.8°120.0°
C20C24O26122.0°120.0°
C24C20H39109.3°109.9°
O25C24O26120.1°120.0°
C24O26H1109.5°117.0°
C27C15C2860.1°60.0°
C15C27C2859.9°60.0°
C27C15H37118.0°117.5°
C15C27H47120.0°117.5°
C15C27H48120.0°117.4°
C15C28C2759.9°60.0°
C28C15H37118.0°117.5°
C15C28H50120.0°117.5°
C15C28H49120.0°117.4°
C28C27H47120.0°117.5°
C28C27H48120.0°117.4°
C27C28H50120.0°117.5°
C27C28H49120.0°117.5°
H40C21H41109.5°110.7°
H43C22H42109.5°110.9°
H45C23H44109.4°110.3°
H47C27H48109.5°115.6°
H50C28H49109.5°115.6°
H29C1H30109.5°109.5°
H31C2H32109.4°109.6°
H33C3H34109.5°109.7°
H35C4H36109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H31121.3°119.9°
C1C2C3H32121.3°119.9°
C2C1C4H29121.3°119.9°
C2C1C4H30121.2°120.0°
C2C1C4C83.2°50.6°
C1C2C3C941.7°50.0°
C2C1H29H30116.1°120.1°
C1C2H31H32115.8°120.2°
C1C2C3H3379.7°169.8°
C1C2C3H34163.0°69.8°
C2C1C4H35124.7°170.4°
C2C1C4H36118.2°69.2°
C3C2C1C423.9°70.3°
C2C3C9H33121.4°119.8°
C2C3C9H34121.4°119.8°
C2C3C9S5155.5°163.3°
C2C3C9C829.0°16.6°
C3C2C1H29145.2°49.6°
C3C2C1H3097.3°169.7°
C3C2H31H32115.8°120.2°
C2C3H33H34115.6°120.4°
C1C4C8H35121.5°119.8°
C1C4C8H36121.5°119.8°
C1C4C8C7163.1°162.9°
C1C4C8C913.7°17.1°
C4C1H29H30116.0°120.2°
C4C1C2H31145.3°49.6°
C4C1C2H3297.4°169.8°
C1C4H35H36115.2°120.3°
S5C6C7N16177.4°180.0°
S5C6C7C81.0°0.0°
C6S5C9C3178.4°179.9°
C6S5C9C82.9°0.0°
S5C6C7C10174.7°180.0°
S5C6N16C1720.3°0.0°
S5C6N16H38159.7°180.0°
C6C7C8C4179.9°180.0°
C6C7C8C10173.7°180.0°
C7C6S5C91.1°0.0°
C6C7C8C92.8°0.1°
C6C7C10N113.2°0.0°
C6C7C10O14168.5°179.7°
C7C6N16C17162.7°180.0°
C7C6N16H3817.3°0.0°
C4C8C7C9177.1°180.0°
C4C8C9C32.2°0.1°
C4C8C9S5178.8°180.0°
C4C8C7C106.4°0.1°
C8C4C1H29118.0°69.2°
C8C4C1H30124.5°170.6°
C8C4H35H36115.2°120.4°
C7C8C9C3179.7°180.0°
C7C8C9S53.6°0.0°
C8C7C10N11175.9°180.0°
C8C7C10O144.2°0.3°
C8C7C6N16178.4°180.0°
C7C8C4H3541.6°43.1°
C7C8C4H3675.5°77.3°
C3C9S5C8175.5°179.9°
C9C3C2H31163.0°69.9°
C9C3C2H3279.7°169.8°
C9C3H33H34115.7°120.4°
C9S5C6N16176.0°180.0°
S5C9C3H3383.1°43.6°
S5C9C3H3434.2°76.9°
C9C8C7C10176.5°179.9°
C8C9C3H3392.4°136.3°
C8C9C3H34150.4°103.2°
C9C8C4H35135.2°136.9°
C9C8C4H36107.7°102.7°
C7C10N11O14173.0°179.7°
C7C10N11C12176.0°179.8°
C7C10O14N13175.9°179.8°
C10C7C6N167.9°0.0°
C10N11C12N131.6°0.0°
N11C10O14N133.2°0.1°
C10N11C12C15177.3°180.0°
N11C12N13C15178.8°180.0°
C12N11C10O143.0°0.0°
N11C12N13O140.3°0.0°
N11C12C15C2745.2°120.0°
N11C12C15C2822.3°171.4°
N11C12C15H37167.2°25.8°
C12N13O14C102.2°0.1°
N13C12C15C27136.2°60.0°
N13C12C15C28156.4°8.6°
N13C12C15H3711.4°154.2°
O14N13C12C15179.2°180.0°
C12C15C27C28104.7°107.5°
C12C15C27H37147.4°145.1°
C12C15C28H37144.7°145.0°
C12C15C27H47145.8°145.0°
C12C15C27H484.8°0.0°
C12C15C28H502.0°0.0°
C12C15C28H49143.1°145.0°
C6N16C17H38180.0°179.9°
C6N16C17N18177.9°180.0°
C6N16C17O193.6°0.1°
N16C17N18O19178.5°179.9°
N16C17N18C20175.7°180.0°
N16C17N18C230.7°0.0°
C17N18C20C23176.8°180.0°
C17N18C20C21165.2°178.9°
C17N18C23C22168.3°155.9°
C17N18C20C2443.8°61.7°
C17N18C20H3980.6°59.5°
C17N18C23H4572.9°37.0°
C17N18C23H4449.5°85.2°
N18C17N16H382.1°0.1°
O19C17N18C202.8°0.1°
O19C17N18C23179.2°179.9°
O19C17N16H38176.4°180.0°
N18C20C21C24123.6°119.4°
N18C20C21H39115.0°119.6°
N18C20C21C2237.0°22.2°
C20N18C23C228.4°24.1°
N18C20C24H39124.6°121.2°
N18C20C24O2554.5°17.9°
N18C20C24O26122.0°162.2°
N18C20C21H40155.8°140.6°
N18C20C21H4181.9°96.2°
C20N18C23H45110.4°142.9°
C20N18C23H44127.2°94.8°
C20C21C22H40118.9°118.4°
C20C21C22H41118.9°118.4°
C21C20N18C2318.0°1.1°
C20C21C22C2343.9°35.5°
C21C20C24H39121.1°121.1°
C21C20C24O2559.8°99.9°
C21C20C24O26123.8°80.0°
C20C21H40H41123.3°123.1°
C20C21C22H4375.1°82.6°
C20C21C22H42162.8°153.6°
C21C22C23N1832.0°37.0°
C21C22C23H43119.0°118.0°
C21C22C23H42119.0°118.1°
C22C21C20C24160.6°141.6°
C22C21C20H3978.0°97.4°
C22C21H40H41123.3°123.3°
C21C22H43H42122.9°123.9°
C21C22C23H4586.9°155.8°
C21C22C23H44150.8°82.0°
N18C23C22H45118.9°118.8°
N18C23C22H44118.8°119.0°
C23N18C20C24139.4°118.4°
C23N18C20H3996.2°120.5°
N18C23C22H4387.0°81.0°
N18C23C22H42150.9°155.1°
N18C23H45H44123.4°122.3°
C23C22C21H40162.7°153.9°
C23C22C21H4175.0°82.9°
C23C22H43H42122.9°123.9°
C22C23H45H44123.3°122.2°
C20C24O25O26176.5°179.9°
C24C20C21H4080.6°100.0°
C24C20C21H4141.7°23.1°
C20C24O26H1176.4°180.0°
O25C24C20H39179.1°139.0°
O25C24O26H10.0°0.0°
O26C24C20H392.7°41.0°
C27C15C28H37107.9°107.5°
C15C27C28H47109.4°107.5°
C15C27C28H48109.4°107.5°
C15C27H47H48144.8°145.7°
C27C15C28H50109.5°107.5°
C27C15C28H49109.4°107.5°
C15C28H50H49144.8°145.6°
C28C27H47H48144.8°145.7°
C27C28H50H49144.8°145.8°
H37C15C27H471.5°0.1°
H37C15C27H48142.6°145.1°
H37C15C28H50142.6°145.0°
H37C15C28H491.5°0.0°
H39C20C21H4040.8°21.1°
H39C20C21H41163.1°144.2°
H40C21C22H4343.7°35.8°
H40C21C22H4278.3°88.0°
H41C21C22H43166.0°159.0°
H41C21C22H4244.0°35.2°
H43C22C23H45154.1°37.8°
H43C22C23H4431.8°160.0°
H42C22C23H4532.1°86.1°
H42C22C23H4490.2°36.1°
H47C27C28H50141.1°145.1°
H47C27C28H490.0°0.0°
H48C27C28H500.0°0.0°
H48C27C28H49141.1°145.1°
H29C1C2H3193.5°169.5°
H29C1C2H3223.9°70.3°
H29C1C4H353.5°50.6°
H29C1C4H36120.5°170.9°
H30C1C2H3124.0°70.4°
H30C1C2H32141.4°49.8°
H30C1C4H35114.0°69.6°
H30C1C4H363.0°50.8°
H31C2C3H3341.6°49.9°
H31C2C3H3475.6°170.3°
H32C2C3H33159.0°70.4°
H32C2C3H3441.7°50.1°

227344

PDB entries from 2024-11-13

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