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FRB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.30Å1.33Å
N1HN1sing0.97Å1.02Å
C2N3sing1.37Å1.33Å
C2N4sing1.38Å1.33Å
N3HN31sing0.97Å1.02Å
N3HN32sing0.97Å1.02Å
N4C5sing1.46Å1.45Å
N4HN4sing0.97Å1.02Å
C5C6sing1.53Å1.53Å
C5C12sing1.51Å1.51Å
C5H5sing1.09Å1.12Å
C6C7sing1.53Å1.53Å
C6C11sing1.53Å1.53Å
C6H6sing1.09Å1.11Å
C7C8sing1.53Å1.53Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.11Å
C8C9sing1.53Å1.53Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.11Å
C9C10sing1.53Å1.53Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
C10C11sing1.53Å1.53Å
C10H101sing1.09Å1.12Å
C10H102sing1.09Å1.11Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12O13doub1.21Å1.22Å
C12N14sing1.35Å1.34Å
N14C15sing1.46Å1.34Å
N14H14sing0.97Å1.02Å
C15C16sing1.51Å1.35Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
C16O17doub1.21Å1.22Å
C16N18sing1.35Å1.43Å
N18C19sing1.47Å1.47Å
N18C23sing1.47Å1.48Å
C19C20sing1.53Å1.53Å
C19H191sing1.09Å1.12Å
C19H192sing1.09Å1.11Å
C20C21sing1.53Å1.54Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.11Å
C23C22sing1.54Å1.53Å
C23H231sing1.09Å1.11Å
C23H232sing1.09Å1.12Å
C22C21sing1.53Å1.54Å
C22H221sing1.09Å1.12Å
C22H222sing1.09Å1.12Å
C21C24sing1.51Å1.50Å
C21H21sing1.09Å1.11Å
C24N25sing1.35Å1.35ÅAromatic
C24C28doub1.35Å1.40ÅAromatic
N25N26sing1.40Å1.31ÅAromatic
N25H25sing0.97Å1.02Å
N26C27doub1.32Å1.33ÅAromatic
C28C27sing1.41Å1.39ÅAromatic
C28H28sing1.08Å1.10Å
C27C29sing1.48Å1.40ÅAromatic
C29C34doub1.39Å1.49ÅAromatic
C29C30sing1.39Å1.40ÅAromatic
C34CL36sing1.74Å1.79Å
C34C33sing1.38Å1.48ÅAromatic
C30C31doub1.38Å1.40ÅAromatic
C30H30sing1.08Å1.10Å
C31C32sing1.38Å1.40ÅAromatic
C31H31sing1.08Å1.10Å
C32C33doub1.38Å1.39ÅAromatic
C32H32sing1.08Å1.10Å
C33CL35sing1.74Å1.79Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1HN1119.3°120.1°
N1C2N3119.8°120.0°
N1C2N4118.5°120.0°
N3C2N4121.6°120.0°
C2N3HN31108.5°120.0°
C2N3HN32119.9°120.0°
C2N4C5125.6°120.0°
C2N4HN4106.5°120.0°
HN31N3HN32108.5°120.0°
C5N4HN4106.5°120.0°
N4C5C6105.6°109.5°
N4C5C12111.5°109.5°
N4C5H5111.7°109.5°
C6C5C12112.4°109.5°
C6C5H5110.8°109.5°
C5C6C7111.2°109.5°
C5C6C11114.0°109.5°
C5C6H6105.0°109.4°
C12C5H5104.9°109.5°
C5C12O13119.6°120.0°
C5C12N14117.4°120.0°
C7C6C11109.2°109.5°
C7C6H6110.2°109.5°
C6C7C8111.2°109.4°
C6C7H71111.6°109.5°
C6C7H72111.5°109.5°
C11C6H6107.1°109.5°
C6C11C10110.7°109.5°
C6C11H111111.8°109.4°
C6C11H112111.8°109.5°
C8C7H71111.5°109.5°
C8C7H72111.6°109.5°
C7C8C9110.7°109.5°
C7C8H81111.7°109.5°
C7C8H82111.7°109.4°
H71C7H7298.8°109.5°
C9C8H81111.7°109.5°
C9C8H82111.7°109.5°
C8C9C10112.0°109.5°
C8C9H91111.3°109.5°
C8C9H92111.3°109.4°
H81C8H8298.7°109.5°
C10C9H91111.3°109.5°
C10C9H92111.3°109.4°
C9C10C11112.7°109.5°
C9C10H101111.0°109.5°
C9C10H102111.0°109.5°
H91C9H9299.1°109.5°
C11C10H101111.0°109.4°
C11C10H102111.0°109.5°
C10C11H111111.8°109.5°
C10C11H112111.8°109.5°
H101C10H10299.3°109.5°
H111C11H11298.6°109.4°
O13C12N14123.0°120.0°
C12N14C15123.0°120.0°
C12N14H14118.5°120.0°
C15N14H14118.5°120.1°
N14C15C16121.1°109.5°
N14C15H151108.1°109.5°
N14C15H152108.1°109.5°
C16C15H151108.1°109.5°
C16C15H152108.0°109.5°
C15C16O17118.7°120.0°
C15C16N18122.5°120.0°
H151C15H152101.9°109.4°
O17C16N18118.8°120.0°
C16N18C19121.9°120.6°
C16N18C23120.9°120.6°
C19N18C23117.1°118.7°
N18C19C20108.8°108.7°
N18C19H191112.5°109.6°
N18C19H192112.5°109.6°
N18C23C22110.8°108.5°
N18C23H231111.7°109.9°
N18C23H232111.7°109.5°
C20C19H191112.5°109.6°
C20C19H192112.4°109.6°
C19C20C21113.8°109.4°
C19C20H201110.6°109.5°
C19C20H202110.6°109.5°
H191C19H19298.0°109.7°
C21C20H201110.6°109.5°
C21C20H202110.6°109.5°
C20C21C22110.5°109.5°
C20C21C24107.7°109.5°
C20C21H21111.8°109.4°
H201C20H20299.7°109.5°
C22C23H231111.7°109.5°
C22C23H232111.7°109.6°
C23C22C21113.0°109.3°
C23C22H221110.9°109.6°
C23C22H222110.9°109.4°
H231C23H23298.7°109.7°
C21C22H221110.9°109.5°
C21C22H222110.9°109.5°
C22C21C24114.5°109.5°
C22C21H21104.7°109.4°
H221C22H22299.4°109.5°
C24C21H21107.7°109.4°
C21C24N25128.8°126.0°
C21C24C28120.6°126.0°
N25C24C28110.6°108.0°
C24N25N26109.7°108.1°
C24N25H25126.4°126.0°
C24C28C2799.7°107.8°
C24C28H28130.5°126.1°
N26N25H25123.9°125.9°
N25N26C27106.0°108.1°
N26C27C28114.1°107.9°
N26C27C29118.7°126.1°
C27C28H28129.9°126.0°
C28C27C29127.2°126.0°
C27C29C34123.8°120.2°
C27C29C30118.5°120.1°
C34C29C30117.6°119.8°
C29C34CL36123.2°120.0°
C29C34C33118.3°119.8°
C29C30C31122.0°119.9°
C29C30H30119.0°120.1°
CL36C34C33118.4°120.1°
C34C33C32119.5°120.1°
C34C33CL35119.7°119.9°
C31C30H30119.1°120.0°
C30C31C32122.1°120.2°
C30C31H31119.0°119.9°
C32C31H31118.9°119.9°
C31C32C33120.5°120.2°
C31C32H32119.9°119.9°
C33C32H32119.6°119.9°
C32C33CL35120.8°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3N4178.9°180.0°
N1C2N3HN3154.7°3.9°
N1C2N3HN32180.0°175.7°
N1C2N4C5120.8°174.5°
N1C2N4HN4114.0°5.5°
HN1N1C2N351.4°175.0°
HN1N1C2N4127.5°5.0°
C2N3HN31HN32131.7°179.6°
N3C2N4C560.3°5.5°
N3C2N4HN464.9°174.5°
N4C2N3HN31126.4°176.1°
N4C2N3HN321.1°4.3°
C2N4C5HN4125.2°180.0°
C2N4C5C6152.0°57.1°
C2N4C5C1285.6°62.9°
C2N4C5H531.4°177.1°
N4C5C6C12121.9°120.0°
N4C5C6H5121.2°120.0°
N4C5C12H5121.1°120.0°
N4C5C6C764.9°65.2°
N4C5C6C11171.1°174.8°
N4C5C6H654.2°54.8°
N4C5C12O1349.2°20.0°
N4C5C12N14130.0°160.0°
HN4N4C5C626.7°123.0°
HN4N4C5C12149.1°117.0°
HN4N4C5H593.9°3.0°
C6C5C12H5120.5°120.0°
C5C6C7C11126.6°120.0°
C5C6C7H6116.0°120.0°
C5C6C11H6115.7°120.0°
C5C6C7C8173.2°180.0°
C5C6C7H7161.6°60.0°
C5C6C7H7247.9°60.0°
C5C6C11C10177.3°NaN°
C5C6C11H11152.0°60.0°
C5C6C11H11257.4°60.0°
C6C5C12O1369.2°100.0°
C6C5C12N14111.6°80.0°
C12C5C6C7173.2°174.8°
C12C5C6C1149.3°54.8°
C12C5C6H667.7°65.2°
C5C12O13N14179.1°180.0°
C5C12N14C15131.5°180.0°
C5C12N14H1448.5°0.0°
H5C5C6C756.3°54.8°
H5C5C6C1167.7°65.2°
H5C5C6H6175.4°174.8°
H5C5C12O13170.3°139.9°
H5C5C12N148.9°40.0°
C7C6C11H6119.3°120.0°
C6C7C8H71125.3°120.0°
C6C7C8H72125.2°120.0°
C6C7H71H72117.5°120.0°
C6C7C8C957.6°60.0°
C6C7C8H81177.2°60.0°
C6C7C8H8267.7°180.0°
C7C6C11C1057.7°60.0°
C7C6C11H111177.0°60.0°
C7C6C11H11267.6°179.9°
C11C6C7C860.2°60.0°
C11C6C7H7165.1°180.0°
C11C6C7H72174.6°60.0°
C6C11C10C954.2°60.0°
C6C11C10H111125.3°120.0°
C6C11C10H112125.3°120.0°
C6C11C10H101179.5°60.0°
C6C11C10H10271.0°180.0°
C6C11H111H112117.7°119.9°
H6C6C7C857.2°60.0°
H6C6C7H71177.5°60.0°
H6C6C7H7268.0°180.0°
H6C6C11C1061.6°60.0°
H6C6C11H11163.7°179.9°
H6C6C11H112173.1°60.0°
C8C7H71H72117.5°120.1°
C7C8C9H81125.3°120.0°
C7C8C9H82125.2°119.9°
C7C8H81H82117.6°119.9°
C7C8C9C1052.5°60.0°
C7C8C9H9172.7°179.9°
C7C8C9H92177.8°59.9°
H71C7C8C967.7°180.0°
H71C7C8H8157.6°59.9°
H71C7C8H82167.1°60.0°
H72C7C8C9177.2°60.0°
H72C7C8H8151.9°180.0°
H72C7C8H8257.6°60.0°
C9C8H81H82117.7°120.0°
C8C9C10H91125.3°120.0°
C8C9C10H92125.3°119.9°
C8C9H91H92117.2°120.0°
C8C9C10C1151.5°60.0°
C8C9C10H101176.8°60.0°
C8C9C10H10273.7°180.0°
H81C8C9C10177.8°60.0°
H81C8C9H9152.5°60.0°
H81C8C9H9256.9°179.9°
H82C8C9C1072.7°180.0°
H82C8C9H91162.0°60.0°
H82C8C9H9252.6°60.0°
C10C9H91H92117.2°120.0°
C9C10C11H101125.3°120.0°
C9C10C11H102125.3°120.0°
C9C10H101H102116.9°120.0°
C9C10C11H111179.5°60.0°
C9C10C11H11271.1°180.0°
H91C9C10C1173.7°180.0°
H91C9C10H10151.5°60.0°
H91C9C10H102161.0°60.0°
H92C9C10C11176.8°60.0°
H92C9C10H10157.9°179.9°
H92C9C10H10251.5°60.0°
C11C10H101H102116.9°120.0°
C10C11H111H112117.7°120.1°
H101C10C11H11155.2°180.0°
H101C10C11H11254.2°60.0°
H102C10C11H11154.3°60.0°
H102C10C11H112163.7°60.0°
O13C12N14C1549.3°0.0°
O13C12N14H14130.7°180.0°
C12N14C15H14180.0°180.0°
C12N14C15C16142.9°180.0°
C12N14C15H15117.6°60.0°
C12N14C15H15291.9°60.0°
N14C15C16H151125.3°120.1°
N14C15C16H152125.3°120.0°
N14C15H151H152113.7°120.0°
N14C15C16O1722.9°0.0°
N14C15C16N18157.2°179.9°
H14N14C15C1637.1°0.0°
H14N14C15H151162.4°120.0°
H14N14C15H15288.1°120.0°
C16C15H151H152113.7°120.0°
C15C16O17N18180.0°179.9°
C15C16N18C196.3°180.0°
C15C16N18C23174.4°0.4°
H151C15C16O17102.4°120.1°
H151C15C16N1877.6°60.0°
H152C15C16O17148.2°120.0°
H152C15C16N1831.9°60.0°
O17C16N18C19173.8°0.1°
O17C16N18C235.6°179.7°
C16N18C19C23179.4°179.6°
C16N18C19C20124.6°126.5°
C16N18C19H191110.1°6.7°
C16N18C19H1920.7°113.7°
C16N18C23C22125.7°126.4°
C16N18C23H2310.4°113.8°
C16N18C23H232109.1°6.9°
N18C19C20H191125.3°119.8°
N18C19C20H192125.3°119.8°
N18C19H191H192118.4°120.3°
N18C19C20C2153.1°54.6°
N18C19C20H201178.4°65.3°
N18C19C20H20272.1°174.6°
C19N18C23C2253.7°53.9°
C19N18C23H231179.0°65.9°
C19N18C23H23271.5°173.5°
C23N18C19C2054.8°53.9°
C23N18C19H19170.5°173.7°
C23N18C19H192180.0°65.9°
N18C23C22H231125.2°120.0°
N18C23C22H232125.3°119.6°
N18C23H231H232117.7°120.5°
N18C23C22C2149.5°54.8°
N18C23C22H22175.8°65.1°
N18C23C22H222174.8°174.8°
C20C19H191H192118.4°120.4°
C19C20C21H201125.3°120.0°
C19C20C21H202125.2°120.0°
C19C20H201H202116.5°120.1°
C19C20C21C2252.3°61.4°
C19C20C21C24178.0°178.6°
C19C20C21H2163.9°58.6°
H191C19C20C2172.2°174.4°
H191C19C20H20153.1°54.4°
H191C19C20H202162.6°65.6°
H192C19C20C21178.4°65.1°
H192C19C20H20156.4°174.9°
H192C19C20H20253.1°54.8°
C21C20H201H202116.5°120.0°
C20C21C22C2349.7°61.4°
C20C21C22C24121.8°120.1°
C20C21C22H21120.5°120.0°
C20C21C22H22175.6°58.6°
C20C21C22H222174.9°178.7°
C20C21C24H21120.7°120.0°
C20C21C24N2548.2°35.0°
C20C21C24C28131.7°144.7°
H201C20C21C22177.5°58.6°
H201C20C21C2456.7°61.4°
H201C20C21H2161.3°178.6°
H202C20C21C2273.0°178.7°
H202C20C21C2452.8°58.6°
H202C20C21H21170.8°61.4°
C22C23H231H232117.6°120.3°
C23C22C21H221125.3°120.0°
C23C22C21H222125.3°119.8°
C23C22H221H222116.8°120.0°
C23C22C21C24171.5°178.5°
C23C22C21H2170.9°58.5°
H231C23C22C21174.7°65.2°
H231C23C22H22149.4°174.8°
H231C23C22H22260.0°54.7°
H232C23C22C2175.8°174.4°
H232C23C22H221158.9°54.4°
H232C23C22H22249.5°65.7°
C21C22H221H222116.8°120.1°
C22C21C24H21115.9°119.9°
C22C21C24N25171.5°85.1°
C22C21C24C288.3°95.1°
H221C22C21C2446.2°61.5°
H221C22C21H21163.8°178.6°
H222C22C21C2463.3°58.7°
H222C22C21H2154.4°61.3°
C21C24N25C28179.9°179.8°
C21C24N25N26179.7°180.0°
C21C24N25H250.3°0.0°
C21C24C28C27179.6°179.8°
C21C24C28H280.4°0.2°
H21C21C24N2572.6°155.0°
H21C21C24C28107.6°24.8°
C24N25N26H25180.0°180.0°
C24N25N26C270.1°0.0°
N25C24C28C270.3°0.4°
N25C24C28H28179.7°180.0°
C28C24N25N260.1°0.2°
C28C24N25H25179.9°179.8°
C24C28C27N260.3°0.3°
C24C28C27H28180.0°179.6°
C24C28C27C29179.6°179.8°
N25N26C27C280.3°0.2°
N25N26C27C29179.6°180.0°
H25N25N26C27179.9°180.0°
N26C27C28C29179.3°179.8°
N26C27C28H28179.6°180.0°
N26C27C29C34132.4°140.2°
N26C27C29C3045.8°40.1°
C28C27C29C3448.4°39.9°
C28C27C29C30133.5°139.7°
H28C28C27C290.3°0.2°
C27C29C34C30178.1°179.6°
C27C29C34CL361.5°0.3°
C27C29C34C33179.2°179.8°
C27C29C30C31179.3°180.0°
C27C29C30H300.7°0.2°
C29C34CL36C33179.3°179.5°
C34C29C30C311.1°0.3°
C34C29C30H30178.9°179.8°
C29C34C33C320.5°0.5°
C29C34C33CL35179.5°179.7°
C30C29C34CL36179.6°179.9°
C30C29C34C331.1°0.5°
C29C30C31H30180.0°179.9°
C29C30C31C320.6°0.0°
C29C30C31H31179.4°179.9°
CL36C34C33C32179.9°180.0°
CL36C34C33CL350.2°0.2°
C34C33C32C310.0°0.2°
C34C33C32CL35180.0°179.8°
C34C33C32H32180.0°179.8°
C30C31C32H31180.0°180.0°
C30C31C32C330.0°0.0°
C30C31C32H32180.0°180.0°
H30C30C31C32179.4°179.9°
H30C30C31H310.6°0.1°
C31C32C33H32180.0°180.0°
C31C32C33CL35179.9°180.0°
H31C31C32C33180.0°180.0°
H31C31C32H320.0°0.0°
H32C32C33CL350.1°0.0°

222624

PDB entries from 2024-07-17

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