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NIL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O17C16doub1.22Å1.21Å
C16N14sing1.35Å1.34Å
C16C18sing1.48Å1.48Å
N14C11sing1.40Å1.39Å
C11C9doub1.39Å1.42ÅAromatic
C11C12sing1.39Å1.41ÅAromatic
C9C8sing1.39Å1.40ÅAromatic
C8N51sing1.40Å1.40ÅAromatic
C8C6doub1.39Å1.39ÅAromatic
N51C56sing1.37Å1.39ÅAromatic
N51C52sing1.36Å1.34ÅAromatic
C56C55doub1.35Å1.35ÅAromatic
C55C58sing1.51Å1.51Å
C55N54sing1.34Å1.35ÅAromatic
N54C52doub1.31Å1.31ÅAromatic
C6C5sing1.38Å1.40ÅAromatic
C12C5doub1.38Å1.42ÅAromatic
C5C2sing1.51Å1.49Å
C2F4sing1.40Å1.35Å
C2F3sing1.40Å1.33Å
C2F1sing1.40Å1.35Å
C18C25doub1.40Å1.40ÅAromatic
C18C19sing1.40Å1.37ÅAromatic
C25C23sing1.38Å1.40ÅAromatic
C23C22doub1.38Å1.39ÅAromatic
C22C27sing1.51Å1.52Å
C22C21sing1.39Å1.39ÅAromatic
C21C19doub1.39Å1.40ÅAromatic
C21N31sing1.40Å1.40Å
N31C33sing1.39Å1.40Å
C33N40doub1.33Å1.33ÅAromatic
C33N34sing1.32Å1.36ÅAromatic
N40C38sing1.32Å1.35ÅAromatic
C38C36doub1.38Å1.34ÅAromatic
C36C35sing1.40Å1.35ÅAromatic
C35N34doub1.33Å1.34ÅAromatic
C35C41sing1.48Å1.49ÅAromatic
C41C49doub1.40Å1.40ÅAromatic
C41C42sing1.39Å1.41ÅAromatic
C49C47sing1.38Å1.39ÅAromatic
C47C45doub1.38Å1.39ÅAromatic
C45N44sing1.32Å1.34ÅAromatic
N44C42doub1.32Å1.34ÅAromatic
N14HN14sing0.97Å1.00Å
C9H9sing1.08Å1.08Å
C56H56sing1.08Å1.08Å
C58H58sing1.09Å1.10Å
C58H58Asing1.09Å1.10Å
C58H58Bsing1.09Å1.10Å
C52H52sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
C19H19sing1.08Å1.08Å
N31HN31sing0.97Å1.00Å
C38H38sing1.08Å1.08Å
C36H36sing1.08Å1.08Å
C49H49sing1.08Å1.08Å
C47H47sing1.08Å1.08Å
C45H45sing1.08Å1.08Å
C42H42sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O17C16N14127.1°120.0°
O17C16C18115.4°120.0°
N14C16C18116.2°120.0°
C16N14C11126.0°120.0°
C16N14HN14117.0°120.0°
C16C18C25124.8°120.1°
C16C18C19117.5°120.1°
N14C11C9120.9°120.0°
N14C11C12120.6°120.0°
C11N14HN14117.0°119.9°
C9C11C12118.3°120.0°
C11C9C8121.3°119.8°
C11C9H9119.3°120.1°
C11C12C5120.0°120.0°
C11C12H12120.0°120.0°
C9C8N51121.7°120.0°
C9C8C6119.5°119.9°
C8C9H9119.4°120.1°
N51C8C6118.7°120.1°
C8N51C56128.9°126.5°
C8N51C52126.8°126.4°
C8C6C5121.0°120.1°
C8C6H6119.5°120.0°
C56N51C52104.2°107.1°
N51C56C55108.2°106.9°
N51C56H56125.9°126.6°
N51C52N54112.5°108.5°
N51C52H52123.8°125.8°
C56C55C58128.0°125.9°
C56C55N54107.9°108.2°
C55C56H56125.9°126.6°
C58C55N54124.1°125.9°
C55C58H58109.5°109.5°
C55C58H58A109.4°109.4°
C55C58H58B109.4°109.5°
C55N54C52107.2°109.4°
N54C52H52123.8°125.7°
C6C5C12119.5°120.1°
C6C5C2121.6°119.9°
C5C6H6119.5°119.9°
C12C5C2118.9°120.0°
C5C12H12120.0°120.0°
C5C2F4115.0°109.4°
C5C2F3111.1°109.5°
C5C2F1112.3°109.5°
F4C2F3101.9°109.5°
F4C2F1103.4°109.4°
F3C2F1112.5°109.5°
C25C18C19116.3°119.7°
C18C25C23121.4°120.0°
C18C25H25119.3°120.0°
C18C19C21122.8°119.8°
C18C19H19118.6°120.1°
C25C23C22121.2°120.2°
C23C25H25119.3°120.0°
C25C23H23119.4°119.9°
C23C22C27120.7°119.9°
C23C22C21117.6°120.2°
C22C23H23119.4°119.9°
C27C22C21121.7°119.9°
C22C27H27109.5°109.5°
C22C27H27A109.5°109.5°
C22C27H27B109.5°109.5°
C22C21C19120.3°120.0°
C22C21N31118.4°120.0°
C19C21N31120.6°120.0°
C21C19H19118.6°120.1°
C21N31C33119.5°120.0°
C21N31HN31120.3°120.0°
N31C33N40128.9°119.1°
N31C33N34107.7°119.2°
C33N31HN31120.3°120.0°
N40C33N34123.4°121.7°
C33N40C38116.7°121.0°
C33N34C35117.7°120.6°
N40C38C36122.6°119.3°
N40C38H38118.7°120.4°
C38C36C35118.4°118.4°
C36C38H38118.7°120.3°
C38C36H36120.8°120.8°
C36C35N34121.1°119.0°
C36C35C41123.2°120.5°
C35C36H36120.8°120.8°
N34C35C41115.6°120.5°
C35C41C49121.6°120.5°
C35C41C42120.5°120.5°
C49C41C42117.9°118.9°
C41C49C47119.1°118.3°
C41C49H49120.4°120.9°
C41C42N44123.3°120.6°
C41C42H42118.4°119.7°
C49C47C45118.4°119.3°
C47C49H49120.5°120.8°
C49C47H47120.8°120.4°
C47C45N44123.8°121.0°
C45C47H47120.8°120.3°
C47C45H45118.1°119.4°
C45N44C42117.5°121.9°
N44C45H45118.1°119.6°
N44C42H42118.3°119.7°
H58C58H58A109.5°109.5°
H58C58H58B109.4°109.5°
H58AC58H58B109.5°109.5°
H27C27H27A109.4°109.4°
H27C27H27B109.5°109.4°
H27AC27H27B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O17C16N14C18166.3°179.7°
O17C16N14C119.5°4.0°
O17C16C18C25168.3°180.0°
O17C16C18C192.1°0.3°
O17C16N14HN14170.5°176.0°
C16N14C11HN14180.0°180.0°
C16N14C11C9154.8°35.2°
C16N14C11C1231.0°145.0°
N14C16C18C250.4°0.3°
N14C16C18C19165.8°179.5°
C18C16N14C11175.8°176.3°
C16C18C25C19166.4°179.8°
C16C18C25C23173.9°180.0°
C16C18C19C21173.8°179.7°
C18C16N14HN144.2°3.7°
C16C18C25H256.0°0.0°
C16C18C19H196.2°0.1°
N14C11C9C12174.4°179.8°
N14C11C9C8179.5°180.0°
N14C11C12C5178.5°179.7°
N14C11C9H90.5°0.1°
N14C11C12H121.4°0.1°
C11C9C8H9180.0°180.0°
C11C9C8N51178.0°179.9°
C11C9C8C63.7°0.0°
C9C11C12C57.1°0.5°
C9C11N14HN1425.2°144.8°
C9C11C12H12172.9°179.7°
C12C11C9C86.1°0.2°
C11C12C5C65.8°0.6°
C11C12C5H12180.0°179.7°
C11C12C5C2177.3°179.7°
C12C11N14HN14149.0°35.0°
C12C11C9H9173.9°179.7°
C9C8N51C6178.3°179.9°
C9C8N51C5621.7°0.1°
C9C8N51C52163.4°179.7°
C9C8C6C52.3°0.0°
C9C8C6H6177.7°180.0°
C8N51C56C52175.8°179.8°
C8N51C56C55176.1°180.0°
C8N51C52N54177.7°179.8°
N51C8C6C5179.4°179.9°
N51C8C9H92.0°0.1°
C8N51C56H563.9°0.0°
C8N51C52H522.3°0.0°
N51C8C6H60.6°0.1°
C6C8N51C56156.7°180.0°
C6C8N51C5218.3°0.2°
C8C6C5H6180.0°180.0°
C8C6C5C123.3°0.3°
C8C6C5C2179.9°179.9°
C6C8C9H9176.3°179.9°
N51C56C55H56180.0°179.9°
N51C56C55C58179.1°180.0°
N51C56C55N541.3°0.0°
C56N51C52N541.8°0.4°
C56N51C52H52178.2°179.7°
C52N51C56C550.2°0.3°
N51C52N54C552.7°0.4°
N51C52N54H52180.0°179.9°
C52N51C56H56179.8°179.8°
C56C55C58N54177.4°179.9°
C56C55N54C522.4°0.2°
C56C55C58H5857.4°90.0°
C56C55C58H58A177.4°150.1°
C56C55C58H58B62.6°30.0°
C58C55N54C52179.8°179.7°
C58C55C56H561.0°0.1°
C55C58H58H58A120.0°120.0°
C55C58H58H58B120.0°120.0°
C55C58H58AH58B120.0°120.0°
N54C55C56H56178.7°180.0°
N54C55C58H58120.0°90.0°
N54C55C58H58A0.0°30.0°
N54C55C58H58B120.0°150.0°
C55N54C52H52177.4°179.8°
C6C5C12C2176.9°179.8°
C6C5C2F4134.7°90.0°
C6C5C2F319.6°150.0°
C6C5C2F1107.4°29.9°
C6C5C12H12174.2°179.7°
C12C5C2F442.2°89.7°
C12C5C2F3157.3°30.2°
C12C5C2F175.8°150.3°
C12C5C6H6176.7°179.7°
C5C2F4F3120.3°120.0°
C5C2F4F1122.9°120.0°
C5C2F3F1126.9°120.1°
C2C5C6H60.1°0.1°
C2C5C12H122.7°0.1°
F4C2F3F1110.1°120.0°
C18C25C23H25180.0°180.0°
C18C25C23C224.1°0.0°
C25C18C19C216.5°0.5°
C18C25C23H23176.0°180.0°
C25C18C19H19173.6°179.7°
C19C18C25C237.6°0.2°
C18C19C21C221.7°0.5°
C18C19C21H19180.0°179.8°
C18C19C21N31168.3°179.8°
C19C18C25H25172.4°179.8°
C25C23C22H23180.0°180.0°
C25C23C22C27179.7°179.9°
C25C23C22C210.9°0.0°
C23C22C27C21178.7°179.9°
C23C22C21C192.1°0.3°
C23C22C21N31172.3°180.0°
C22C23C25H25175.9°180.0°
C23C22C27H27140.3°90.0°
C23C22C27H27A99.7°149.9°
C23C22C27H27B20.3°30.0°
C27C22C21C19179.2°179.8°
C27C22C21N319.0°0.1°
C27C22C23H230.3°0.1°
C22C27H27H27A120.0°120.0°
C22C27H27H27B120.0°120.0°
C22C27H27AH27B120.0°120.0°
C22C21C19N31170.0°179.7°
C22C21N31C3393.1°145.5°
C21C22C23H23179.0°180.0°
C21C22C27H2738.3°90.0°
C21C22C27H27A81.6°30.0°
C21C22C27H27B158.3°150.0°
C22C21C19H19178.3°179.7°
C22C21N31HN3186.9°34.5°
C19C21N31C3377.1°34.8°
C19C21N31HN31102.9°145.2°
C21N31C33HN31180.0°180.0°
C21N31C33N404.0°3.7°
C21N31C33N34172.4°175.9°
N31C21C19H1911.7°0.0°
N31C33N40N34175.9°179.7°
N31C33N40C38177.8°180.0°
N31C33N34C35177.1°179.7°
C33N40C38C362.7°0.1°
N40C33N34C350.4°0.6°
N40C33N31HN31176.0°176.2°
C33N40C38H38177.3°180.0°
N34C33N40C382.0°0.4°
C33N34C35C360.5°0.5°
C33N34C35C41178.5°179.7°
N34C33N31HN317.6°4.1°
N40C38C36H38180.0°179.9°
N40C38C36C351.9°0.0°
N40C38C36H36178.1°180.0°
C38C36C35H36180.0°180.0°
C38C36C35N340.2°0.3°
C38C36C35C41177.6°180.0°
C36C35N34C41178.0°179.8°
C36C35C41C490.1°180.0°
C36C35C41C42179.1°0.2°
C35C36C38H38178.1°180.0°
N34C35C41C49177.8°0.2°
N34C35C41C422.9°180.0°
N34C35C36H36179.8°179.8°
C35C41C49C42179.3°179.8°
C35C41C49C47178.8°180.0°
C35C41C42N44178.4°179.6°
C41C35C36H362.4°0.0°
C35C41C49H491.2°0.0°
C35C41C42H421.6°0.0°
C41C49C47H49180.0°180.0°
C41C49C47C451.3°0.0°
C49C41C42N440.9°0.6°
C41C49C47H47178.7°180.0°
C49C41C42H42179.1°179.7°
C42C41C49C470.5°0.2°
C41C42N44C452.2°0.6°
C41C42N44H42180.0°179.7°
C42C41C49H49179.5°179.7°
C49C47C45H47180.0°180.0°
C49C47C45N442.7°0.0°
C49C47C45H45177.3°180.0°
C47C45N44H45180.0°180.0°
C47C45N44C423.1°0.3°
C45C47C49H49178.6°180.0°
N44C45C47H47177.3°180.0°
C45N44C42H42177.8°179.7°
C42N44C45H45176.9°179.7°
H58C58H58AH58B120.0°120.0°
H25C25C23H234.1°0.0°
H27C27H27AH27B120.0°119.9°
H38C38C36H361.9°0.1°
H49C49C47H471.3°0.0°
H47C47C45H452.7°0.0°

218853

PDB entries from 2024-04-24

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