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7A5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.40Å
C1C4sing1.40Å1.44Å
C2N3sing1.34Å1.36Å
C2N12sing1.38Å1.49Å
N3C7doub1.32Å1.31Å
C4O5doub1.22Å1.23Å
C4N6sing1.35Å1.40Å
N6C7sing1.36Å1.43Å
N6C11sing1.46Å1.48Å
C7N8sing1.37Å1.46Å
N8C9sing1.46Å1.47Å
N8C23sing1.46Å1.45Å
C9C10sing1.52Å1.53Å
C9C13sing1.53Å1.59Å
C10C11sing1.52Å1.53Å
N12C17sing1.47Å1.47Å
N12C21sing1.47Å1.51Å
C13F14sing1.40Å1.33Å
C13F15sing1.40Å1.33Å
C13F16sing1.40Å1.33Å
C17C18sing1.53Å1.51Å
C18O19sing1.43Å1.43Å
O19C20sing1.43Å1.45Å
C20C21sing1.53Å1.50Å
C21C22sing1.53Å1.52Å
C23C24sing1.51Å1.51Å
C24O25doub1.21Å1.21Å
C24C26sing1.51Å1.51Å
C26C27sing1.53Å1.52Å
C26C28sing1.53Å1.52Å
C1H1sing1.08Å1.08Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C28H283sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C4120.7°118.6°
C1C2N3120.4°119.5°
C1C2N12120.5°120.3°
C2C1H1119.7°120.7°
C1C4O5125.2°120.4°
C1C4N6115.6°119.3°
C4C1H1119.6°120.7°
N3C2N12119.0°120.3°
C2N3C7121.3°121.7°
C2N12C17114.8°121.0°
C2N12C21123.7°121.0°
N3C7N6121.4°121.0°
N3C7N8118.0°118.2°
O5C4N6119.2°120.3°
C4N6C7120.5°119.7°
C4N6C11117.6°118.2°
C7N6C11121.9°122.0°
N6C7N8120.5°120.8°
N6C11C10112.0°113.0°
N6C11H111108.8°108.8°
N6C11H112108.8°108.8°
C7N8C9118.2°121.6°
C7N8C23120.2°119.2°
C9N8C23121.2°119.2°
N8C9C10111.7°111.0°
N8C9C13110.9°109.1°
N8C9H9108.3°109.2°
N8C23C24112.8°109.5°
N8C23H231108.6°109.4°
N8C23H232108.6°109.5°
C10C9C13111.3°109.2°
C9C10C11111.7°112.1°
C10C9H9107.6°109.2°
C9C10H101108.9°109.0°
C9C10H102108.9°108.9°
C9C13F14113.4°109.5°
C9C13F15109.7°109.4°
C9C13F16112.9°109.5°
C13C9H9106.9°109.1°
C10C11H111108.8°108.8°
C10C11H112108.8°108.7°
C11C10H101108.9°109.0°
C11C10H102108.9°109.0°
C17N12C21114.2°118.0°
N12C17C18110.5°108.4°
N12C17H171109.2°109.7°
N12C17H172109.2°109.7°
N12C21C20110.0°108.6°
N12C21C22111.9°109.7°
N12C21H21107.0°109.7°
F14C13F15106.7°109.5°
F14C13F16106.8°109.5°
F15C13F16106.9°109.4°
C17C18O19111.7°109.2°
C18C17H171109.2°109.7°
C18C17H172109.2°109.7°
C17C18H181108.9°109.6°
C17C18H182108.9°109.5°
C18O19C20112.3°114.1°
O19C18H181108.9°109.5°
O19C18H182108.9°109.5°
O19C20C21112.6°109.3°
O19C20H201108.7°109.5°
O19C20H202108.7°109.5°
C20C21C22113.7°109.6°
C20C21H21107.1°109.5°
C21C20H201108.7°109.6°
C21C20H202108.7°109.4°
C22C21H21106.9°109.7°
C21C22H221109.5°109.5°
C21C22H222109.5°109.5°
C21C22H223109.5°109.5°
C23C24O25119.8°120.0°
C23C24C26116.5°120.0°
C24C23H231108.6°109.5°
C24C23H232108.6°109.5°
O25C24C26123.8°120.0°
C24C26C27110.0°109.5°
C24C26C28110.2°109.5°
C24C26H26108.3°109.4°
C27C26C28111.6°109.5°
C27C26H26108.3°109.5°
C26C27H271109.5°109.5°
C26C27H272109.5°109.5°
C26C27H273109.5°109.5°
C28C26H26108.3°109.5°
C26C28H281109.5°109.5°
C26C28H282109.5°109.5°
C26C28H283109.5°109.5°
H111C11H112109.5°108.6°
H231C23H232109.4°109.5°
H101C10H102109.5°108.9°
H171C17H172109.4°109.6°
H181C18H182109.4°109.5°
H201C20H202109.5°109.5°
H221C22H222109.4°109.5°
H221C22H223109.5°109.4°
H222C22H223109.5°109.5°
H271C27H272109.5°109.5°
H271C27H273109.5°109.5°
H272C27H273109.4°109.5°
H281C28H282109.5°109.5°
H281C28H283109.4°109.4°
H282C28H283109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C4H1180.0°179.7°
C1C2N3N12177.4°179.9°
C1C2N3C73.3°0.7°
C2C1C4O5177.7°179.0°
C2C1C4N61.8°1.0°
C1C2N12C17176.0°40.4°
C1C2N12C2127.6°139.8°
C4C1C2N32.6°1.7°
C4C1C2N12180.0°178.4°
C1C4O5N6179.5°180.0°
C1C4N6C71.6°4.6°
C1C4N6C11178.6°173.6°
C2N3C7N63.1°2.9°
C2N3C7N8178.8°174.9°
N3C2N12C176.6°139.7°
N3C2N12C21155.0°40.1°
N3C2C1H1177.4°178.6°
N12C2N3C7179.3°179.4°
C2N12C17C21151.4°179.8°
C2N12C17C18157.9°129.4°
C2N12C21C20162.5°129.5°
C2N12C21C2270.2°9.7°
N12C2C1H10.0°1.3°
C2N12C17H17137.7°110.8°
C2N12C17H17281.9°9.7°
C2N12C21H2146.6°110.8°
N3C7N6C42.3°5.6°
N3C7N6N8178.1°177.8°
N3C7N6C11177.9°172.5°
N3C7N8C9174.6°167.1°
N3C7N8C231.4°12.9°
O5C4N6C7177.9°175.4°
O5C4N6C111.9°6.4°
O5C4C1H12.3°1.3°
C4N6C7C11179.8°178.1°
C4N6C7N8179.6°172.2°
C4N6C11C10159.3°157.0°
N6C4C1H1178.2°178.7°
C4N6C11H11139.0°82.1°
C4N6C11H11280.3°36.1°
N6C7N8C97.3°15.0°
N6C7N8C23179.6°165.0°
C7N6C11C1020.9°24.9°
C7N6C11H111141.2°96.1°
C7N6C11H11299.5°145.7°
C11N6C7N80.2°9.7°
N6C11C10C948.3°43.6°
N6C11C10H111120.4°121.0°
N6C11C10H112120.4°120.9°
N6C11H111H112118.9°118.3°
N6C11C10H101168.7°77.1°
N6C11C10H10272.0°164.2°
C7N8C9C23173.1°180.0°
C7N8C9C1035.1°34.5°
C7N8C9C1389.7°154.8°
C7N8C23C2480.0°94.8°
C7N8C9H9153.3°86.0°
C7N8C23H231159.5°145.2°
C7N8C23H23240.5°25.2°
N8C9C10C13124.5°120.4°
N8C9C10H9118.7°120.4°
N8C9C13H9117.9°119.2°
N8C9C10C1156.0°47.8°
N8C9C13F1457.3°66.2°
N8C9C13F1561.9°173.8°
N8C9C13F16179.0°53.8°
C9N8C23C24107.0°85.2°
C9N8C23H23113.5°34.8°
C9N8C23H232132.5°154.8°
N8C9C10H101176.3°72.9°
N8C9C10H10264.4°168.4°
C23N8C9C10151.8°145.5°
C23N8C9C1383.5°25.2°
N8C23C24H231120.5°120.0°
N8C23C24H232120.5°120.0°
N8C23C24O2512.0°0.0°
N8C23C24C26167.7°180.0°
C23N8C9H933.6°94.0°
N8C23H231H232118.5°120.0°
C10C9C13H9117.2°119.3°
C9C10C11H101120.3°120.7°
C9C10C11H102120.3°120.6°
C10C9C13F1467.6°172.3°
C10C9C13F15173.2°52.3°
C10C9C13F1654.1°67.7°
C9C10C11H111168.7°77.4°
C9C10C11H11272.1°164.5°
C9C10H101H102119.0°118.7°
C13C9C10C1168.6°168.1°
C9C13F14F15120.9°120.0°
C9C13F14F16125.1°120.0°
C9C13F15F16122.8°120.0°
C13C9C10H10151.7°47.4°
C13C9C10H102171.1°71.2°
C10C11H111H112118.8°118.2°
C11C10C9H9174.6°72.7°
C11C10H101H102118.9°118.8°
N12C17C18H171120.2°119.8°
N12C17C18H172120.2°119.7°
N12C17C18O1954.7°52.3°
C17N12C21C2048.9°50.3°
C17N12C21C2278.4°170.0°
N12C17H171H172119.5°120.5°
C17N12C21H21164.9°69.4°
N12C17C18H18165.7°172.3°
N12C17C18H182175.0°67.6°
C21N12C17C1850.7°50.3°
N12C21C20O1950.7°52.1°
N12C21C20C22126.3°119.8°
N12C21C20H21115.9°119.8°
N12C21C22H21116.8°120.6°
C21N12C17H171170.8°69.5°
C21N12C17H17269.5°170.0°
N12C21C20H20169.7°172.1°
N12C21C20H202171.2°67.8°
N12C21C22H221180.0°57.2°
N12C21C22H22260.0°177.2°
N12C21C22H22360.0°62.8°
F14C13F15F16114.0°120.0°
F14C13C9H9175.2°53.0°
F15C13C9H956.0°67.0°
F16C13C9H963.1°173.0°
C17C18O19H181120.4°120.0°
C17C18O19H182120.3°119.9°
C17C18O19C2058.4°62.6°
C18C17H171H172119.5°120.5°
C17C18H181H182119.0°120.1°
C18O19C20C2157.3°62.4°
O19C18C17H171174.8°67.5°
O19C18C17H17265.5°172.0°
O19C18H181H182119.0°120.1°
C18O19C20H20163.2°177.5°
C18O19C20H202177.7°57.4°
O19C20C21H201120.5°120.0°
O19C20C21H202120.5°119.9°
O19C20C21C2275.5°171.9°
O19C20C21H21166.7°67.7°
C20O19C18H18161.9°177.5°
C20O19C18H182178.8°57.4°
O19C20H201H202118.6°120.1°
C20C21C22H21117.9°120.3°
C21C20H201H202118.5°120.0°
C20C21C22H22154.7°176.3°
C20C21C22H22265.3°63.7°
C20C21C22H223174.8°56.3°
C22C21C20H201164.0°68.1°
C22C21C20H20245.0°52.0°
C21C22H221H222120.0°120.0°
C21C22H221H223120.0°120.0°
C21C22H222H223120.0°120.0°
C23C24O25C26179.6°179.9°
C23C24C26C27108.4°155.0°
C23C24C26C28128.1°85.0°
C24C23H231H232118.4°120.0°
C23C24C26H269.8°35.0°
O25C24C26C2771.2°25.1°
O25C24C26C2852.3°94.9°
O25C24C23H231108.5°119.9°
O25C24C23H232132.5°120.0°
O25C24C26H26170.5°145.1°
C24C26C27C28122.6°120.0°
C24C26C27H26118.2°119.9°
C24C26C28H26118.3°120.0°
C26C24C23H23171.8°60.0°
C26C24C23H23247.1°60.0°
C24C26C27H271180.0°60.0°
C24C26C27H27260.0°180.0°
C24C26C27H27360.0°60.0°
C24C26C28H281180.0°60.0°
C24C26C28H28260.0°180.0°
C24C26C28H28360.0°60.0°
C27C26C28H26119.2°120.0°
C26C27H271H272120.0°120.0°
C26C27H271H273120.0°120.0°
C26C27H272H273120.0°120.0°
C27C26C28H28157.5°180.0°
C27C26C28H28262.5°60.0°
C27C26C28H283177.5°60.0°
C28C26C27H27157.4°60.1°
C28C26C27H272177.4°60.0°
C28C26C27H27362.7°180.0°
C26C28H281H282120.0°120.0°
C26C28H281H283120.0°120.0°
C26C28H282H283120.0°120.0°
H111C11C10H10171.0°161.9°
H111C11C10H10248.3°43.2°
H112C11C10H10148.3°43.8°
H112C11C10H102167.6°74.9°
H9C9C10H10165.0°166.7°
H9C9C10H10254.3°48.0°
H171C17C18H18154.5°52.5°
H171C17C18H18264.8°172.6°
H172C17C18H181174.1°68.0°
H172C17C18H18254.8°52.1°
H21C21C20H20146.2°52.3°
H21C21C20H20272.8°172.4°
H21C21C22H22163.2°63.4°
H21C21C22H222176.8°56.6°
H21C21C22H22356.8°176.7°
H221C22H222H223120.0°120.0°
H26C26C27H27161.7°179.9°
H26C26C27H27258.3°60.0°
H26C26C27H273178.2°60.0°
H26C26C28H28161.7°60.0°
H26C26C28H282178.3°60.0°
H26C26C28H28358.3°179.9°
H271C27H272H273120.0°120.0°
H281C28H282H283120.0°120.0°

222624

PDB entries from 2024-07-17

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