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MLN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3P1sing1.62Å1.58Å
O3HOP3sing0.98Å0.95Å
P1O1doub1.50Å99.17Å
P1O2sing1.62Å1.70Å
P1O4sing1.62Å1.54Å
O2C5sing1.42Å1.39Å
O4HOP4sing0.98Å0.95Å
C5C6sing1.52Å1.54Å
C5C7sing1.53Å1.55Å
C5HC51sing1.10Å1.10Å
C6O11doub1.23Å1.22Å
C6N12sing1.39Å1.37Å
C7C8sing1.53Å1.50Å
C7HC71sing1.10Å1.10Å
C7HC72sing1.10Å1.10Å
C8C9sing1.53Å1.54Å
C8HC81sing1.10Å1.10Å
C8HC82sing1.10Å1.10Å
C9C10sing1.52Å1.50Å
C9HC91sing1.10Å1.10Å
C9HC92sing1.10Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C10H103sing1.09Å1.10Å
N12C13sing1.44Å1.47Å
N12HN12sing1.02Å1.00Å
C13C14sing1.53Å1.54Å
C13C18sing1.53Å1.53Å
C13HC13sing1.09Å1.10Å
C14C15sing1.54Å1.52Å
C14H141sing1.10Å1.10Å
C14H142sing1.10Å1.10Å
C15C16sing1.53Å1.48Å
C15C17sing1.53Å1.50Å
C15HC15sing1.10Å1.10Å
C16H161sing1.10Å1.10Å
C16H162sing1.10Å1.10Å
C16H163sing1.09Å1.10Å
C17H171sing1.10Å1.10Å
C17H172sing1.10Å1.10Å
C17H173sing1.09Å1.10Å
C18N19sing1.39Å1.52Å
C18O20doub1.23Å1.23Å
N19C21sing1.42Å1.30Å
N19HN19sing1.02Å1.00Å
C21C22doub1.39Å1.40ÅAromatic
C21C26sing1.38Å1.42ÅAromatic
C22C23sing1.39Å1.41ÅAromatic
C22HC22sing1.09Å1.08Å
C23C24doub1.40Å1.43ÅAromatic
C23HC23sing1.09Å1.08Å
C24C25sing1.39Å1.42ÅAromatic
C24N27sing1.42Å1.42Å
C25C26doub1.39Å1.42ÅAromatic
C25HC25sing1.09Å1.08Å
C26HC26sing1.09Å1.08Å
N27O28sing1.25Å1.33Å
N27O29doub1.26Å1.34Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
P1O3HOP3109.5°118.9°
O3P1O161.8°115.3°
O3P1O2103.1°103.8°
O3P1O4104.7°103.3°
O1P1O2153.8°115.0°
O1P1O461.4°115.0°
O2P1O4106.8°102.9°
P1O2C5118.6°118.4°
P1O4HOP4109.5°119.0°
O2C5C696.9°108.4°
O2C5C7100.7°110.4°
O2C5HC51124.5°107.5°
C6C5C7116.2°111.3°
C6C5HC51111.0°108.5°
C5C6O11121.0°122.5°
C5C6N12115.6°112.5°
C7C5HC51107.7°110.5°
C5C7C8118.4°112.0°
C5C7HC71106.6°109.0°
C5C7HC72104.5°110.2°
O11C6N12123.4°125.0°
C6N12C13124.1°122.8°
C6N12HN12117.9°119.4°
C8C7HC71106.6°109.2°
C8C7HC72104.5°109.4°
C7C8C9118.6°113.3°
C7C8HC81106.5°110.0°
C7C8HC82104.4°109.0°
HC71C7HC72116.7°106.9°
C9C8HC81106.5°109.3°
C9C8HC82104.4°108.2°
C8C9C10102.9°113.5°
C8C9HC91111.7°108.4°
C8C9HC92113.1°109.9°
HC81C8HC82116.9°106.8°
C10C9HC91111.7°108.5°
C10C9HC92113.1°109.5°
C9C10H101109.5°110.0°
C9C10H102109.4°111.0°
C9C10H103109.5°111.5°
HC91C9HC92104.6°106.8°
H101C10H102109.5°108.0°
H101C10H103109.5°107.6°
H102C10H103109.5°108.5°
C13N12HN12117.9°117.8°
N12C13C14112.1°112.2°
N12C13C18104.8°107.2°
N12C13HC13112.4°106.9°
C14C13C18113.8°110.2°
C14C13HC13103.2°111.3°
C13C14C15109.0°114.8°
C13C14H141109.6°108.8°
C13C14H142109.7°109.3°
C18C13HC13110.7°108.8°
C13C18N19117.2°111.0°
C13C18O20123.8°121.9°
C15C14H141109.6°108.7°
C15C14H142109.7°109.0°
C14C15C16111.6°109.7°
C14C15C17119.1°112.4°
C14C15HC1598.4°109.1°
H141C14H142109.2°105.8°
C16C15C1798.9°109.7°
C16C15HC15118.8°107.5°
C15C16H161109.5°110.8°
C15C16H162109.5°111.3°
C15C16H163109.4°110.8°
C17C15HC15111.3°108.3°
C15C17H171109.5°111.2°
C15C17H172109.5°110.7°
C15C17H173109.5°111.4°
H161C16H162109.5°108.0°
H161C16H163109.5°107.7°
H162C16H163109.5°108.0°
H171C17H172109.4°107.9°
H171C17H173109.5°108.3°
H172C17H173109.5°107.1°
N19C18O20119.0°127.0°
C18N19C21129.3°127.6°
C18N19HN19115.4°117.2°
C21N19HN19115.3°115.2°
N19C21C22120.8°119.3°
N19C21C26115.9°119.3°
C22C21C26123.3°121.5°
C21C22C23118.1°119.3°
C21C22HC22120.9°121.3°
C21C26C25119.4°119.3°
C21C26HC26120.3°121.4°
C23C22HC22121.0°119.4°
C22C23C24119.0°120.0°
C22C23HC23120.5°119.3°
C24C23HC23120.5°120.7°
C23C24C25123.2°120.0°
C23C24N27118.7°120.0°
C25C24N27118.1°120.1°
C24C25C26117.1°120.0°
C24C25HC25121.5°120.7°
C24N27O28116.3°119.1°
C24N27O29122.2°119.0°
C26C25HC25121.4°119.3°
C25C26HC26120.3°119.3°
O28N27O29121.5°122.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3P1O1O259.7°120.8°
O3P1O1O4128.4°120.0°
O3P1O2O4110.1°107.4°
O3P1O2C568.2°66.8°
O3P1O4HOP437.6°78.4°
HOP3O3P1O125.8°48.8°
HOP3O3P1O2177.2°175.4°
HOP3O3P1O471.2°77.5°
O1P1O2O458.7°125.7°
O1P1O2C516.9°60.0°
O1P1O4HOP48.0°48.0°
O2P1O4HOP4146.6°173.8°
P1O2C5C6127.4°60.0°
P1O2C5C7114.2°177.8°
P1O2C5HC516.1°57.1°
O4P1O2C541.8°174.2°
O2C5C6C7105.5°121.6°
O2C5C6HC51131.1°116.5°
O2C5C7HC51131.7°118.8°
O2C5C6O1122.2°33.4°
O2C5C6N12157.6°145.7°
O2C5C7C8107.5°60.5°
O2C5C7HC71132.5°60.5°
O2C5C7HC728.2°177.5°
C6C5C7HC51125.1°120.7°
C5C6O11N12179.8°179.0°
C6C5C7C84.3°179.0°
C6C5C7HC71124.3°60.0°
C6C5C7HC72111.4°57.0°
C5C6N12C13174.9°179.1°
C5C6N12HN125.1°1.7°
C7C5C6O1183.2°88.2°
C7C5C6N1296.9°92.7°
C5C7C8HC71120.0°120.8°
C5C7C8HC72115.8°122.5°
C5C7HC71HC72116.3°119.0°
C5C7C8C9136.4°179.2°
C5C7C8HC81103.6°58.1°
C5C7C8HC8220.7°58.7°
HC51C5C6O11153.3°149.9°
HC51C5C6N1226.5°29.1°
HC51C5C7C8120.8°58.3°
HC51C5C7HC710.8°179.3°
HC51C5C7HC72123.5°63.7°
O11C6N12C135.2°0.0°
O11C6N12HN12174.8°177.4°
C6N12C13HN12180.0°177.4°
C6N12C13C14119.0°152.3°
C6N12C13C18117.1°86.5°
C6N12C13HC133.3°30.0°
C8C7HC71HC72116.3°118.3°
C7C8C9HC81120.0°123.1°
C7C8C9HC82115.7°120.9°
C7C8HC81HC82116.2°118.1°
C7C8C9C1065.3°176.9°
C7C8C9HC9154.7°56.2°
C7C8C9HC92172.3°60.2°
HC71C7C8C916.4°59.9°
HC71C7C8HC81136.4°62.8°
HC71C7C8HC8299.3°179.6°
HC72C7C8C9107.8°56.8°
HC72C7C8HC8112.2°179.5°
HC72C7C8HC82136.5°63.7°
C9C8HC81HC82116.3°116.8°
C8C9C10HC91120.0°120.6°
C8C9C10HC92122.4°123.2°
C8C9HC91HC92122.7°118.4°
C8C9C10H10190.4°174.5°
C8C9C10H102149.6°54.9°
C8C9C10H10329.6°66.2°
HC81C8C9C10174.7°60.0°
HC81C8C9HC9165.3°179.3°
HC81C8C9HC9252.3°62.9°
HC82C8C9C1050.3°55.9°
HC82C8C9HC91170.3°64.7°
HC82C8C9HC9272.0°178.9°
C10C9HC91HC92122.6°117.9°
C9C10H101H102120.0°121.4°
C9C10H101H103120.0°121.7°
C9C10H102H103120.0°122.9°
HC91C9C10H10129.6°53.9°
HC91C9C10H10290.4°65.6°
HC91C9C10H103149.6°173.2°
HC92C9C10H101147.2°62.3°
HC92C9C10H10227.2°178.2°
HC92C9C10H10392.8°57.1°
H101C10H102H103120.0°116.4°
N12C13C14C18118.7°119.4°
N12C13C14HC13121.2°119.7°
N12C13C18HC13121.5°115.3°
N12C13C14C1559.2°62.6°
N12C13C14H14160.8°59.5°
N12C13C14H142179.4°174.5°
N12C13C18N19125.7°147.5°
N12C13C18O2054.2°34.8°
HN12N12C13C1460.9°25.1°
HN12N12C13C1862.9°96.0°
HN12N12C13HC13176.7°147.4°
C14C13C18HC13115.7°122.4°
C13C14C15H141120.0°122.0°
C13C14C15H142120.2°123.1°
C13C14H141H142120.2°117.4°
C13C14C15C16157.7°58.0°
C13C14C15C1788.1°64.3°
C13C14C15HC1532.1°175.5°
C14C13C18N19111.5°90.1°
C14C13C18O2068.6°87.6°
C18C13C14C15177.9°178.0°
C18C13C14H14157.9°60.0°
C18C13C14H14261.9°55.1°
C13C18N19O20179.9°177.6°
C13C18N19C21175.1°180.0°
C13C18N19HN194.9°0.2°
HC13C13C14C1562.0°57.2°
HC13C13C14H141178.0°179.2°
HC13C13C14H14258.1°65.7°
HC13C13C18N194.2°32.2°
HC13C13C18O20175.7°150.0°
C15C14H141H142120.2°117.0°
C14C15C16C17126.2°123.9°
C14C15C16HC15113.4°118.6°
C14C15C17HC15113.4°120.6°
C14C15C16H16155.9°58.4°
C14C15C16H162175.9°61.8°
C14C15C16H16364.1°177.9°
C14C15C17H17140.0°55.7°
C14C15C17H17279.9°175.7°
C14C15C17H173160.1°65.2°
H141C14C15C1637.7°180.0°
H141C14C15C17151.9°57.7°
H141C14C15HC1587.9°62.4°
H142C14C15C1682.2°65.1°
H142C14C15C1732.1°172.6°
H142C14C15HC15152.2°52.5°
C16C15C17HC15125.7°117.1°
C15C16H161H162120.0°122.2°
C15C16H161H163120.0°121.4°
C15C16H162H163120.0°121.9°
C16C15C17H17180.9°66.6°
C16C15C17H172159.2°53.4°
C16C15C17H17339.2°172.5°
C17C15C16H16170.4°177.8°
C17C15C16H16249.6°62.0°
C17C15C16H163169.6°58.2°
C15C17H171H172120.0°121.6°
C15C17H171H173120.0°122.7°
C15C17H172H173120.0°121.6°
HC15C15C16H161169.3°60.2°
HC15C15C16H16270.7°179.6°
HC15C15C16H16349.3°59.3°
HC15C15C17H171153.4°176.3°
HC15C15C17H17233.5°63.7°
HC15C15C17H17386.5°55.4°
H161C16H162H163120.0°116.2°
H171C17H172H173120.0°116.4°
C18N19C21HN19180.0°179.9°
C18N19C21C226.7°179.9°
C18N19C21C26173.0°0.2°
O20C18N19C215.1°2.4°
O20C18N19HN19174.9°177.4°
N19C21C22C26179.6°180.0°
N19C21C22C23178.4°180.0°
N19C21C22HC221.6°0.0°
N19C21C26C25179.6°180.0°
N19C21C26HC260.4°0.1°
HN19N19C21C22173.3°0.0°
HN19N19C21C267.0°180.0°
C21C22C23HC22180.0°180.0°
C21C22C23C242.5°0.0°
C21C22C23HC23177.5°180.0°
C22C21C26C250.1°0.1°
C22C21C26HC26179.9°180.0°
C26C21C22C231.9°0.1°
C26C21C22HC22178.1°180.0°
C21C26C25C241.4°0.0°
C21C26C25HC26180.0°179.9°
C21C26C25HC25178.6°180.0°
C22C23C24HC23180.0°180.0°
C22C23C24C251.3°0.0°
C22C23C24N27178.7°180.0°
HC22C22C23C24177.5°180.0°
HC22C22C23HC232.6°0.0°
C23C24C25N27179.9°180.0°
C23C24C25C260.7°0.0°
C23C24C25HC25179.2°180.0°
C23C24N27O28176.5°0.0°
C23C24N27O293.9°180.0°
HC23C23C24C25178.7°180.0°
HC23C23C24N271.3°0.0°
C24C25C26HC25180.0°179.9°
C24C25C26HC26178.6°180.0°
C25C24N27O283.4°180.0°
C25C24N27O29176.2°0.0°
N27C24C25C26179.3°180.0°
N27C24C25HC250.7°0.0°
C24N27O28O29179.6°179.9°
HC25C25C26HC261.4°0.1°

227111

PDB entries from 2024-11-06

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