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BS1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17N1sing1.47Å1.47Å
N1C16sing1.47Å1.48Å
N1C3sing1.49Å1.48Å
N1C2sing1.49Å1.46Å
C3C12sing1.55Å1.53Å
C3C8sing1.54Å1.53Å
C12C13sing1.54Å1.54Å
C13C2sing1.55Å1.54Å
C2C7sing1.54Å1.54Å
C8C6sing1.53Å1.55Å
C6C7sing1.53Å1.58Å
C6O1sing1.43Å1.43Å
O1C1sing1.43Å1.44Å
C1C5sing1.48Å1.50Å
C1C4sing1.48Å1.50Å
C5C19sing1.41Å1.40ÅAromatic
C5C9doub1.33Å1.40ÅAromatic
C19C23doub1.37Å1.40ÅAromatic
C23C26sing1.38Å1.40ÅAromatic
C26C21doub1.37Å1.40ÅAromatic
C21C9sing1.41Å1.40ÅAromatic
C9C15sing1.51Å1.50Å
C15C14sing1.50Å1.53Å
C14C10sing1.51Å1.52Å
C10C22doub1.41Å1.40ÅAromatic
C10C4sing1.33Å1.42ÅAromatic
C22C25sing1.37Å1.40ÅAromatic
C25C24doub1.38Å1.39ÅAromatic
C24C18sing1.37Å1.40ÅAromatic
C18C4doub1.41Å1.40ÅAromatic
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H173sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C8H81Csing1.09Å1.10Å
C8H82Csing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C7H71Csing1.09Å1.10Å
C7H72Csing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C19H19sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C22H22sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17N1C16110.3°110.6°
C17N1C3107.3°110.6°
C17N1C2108.6°110.6°
N1C17H171109.5°109.5°
N1C17H172109.5°109.5°
N1C17H173109.5°109.4°
C16N1C3115.9°110.6°
C16N1C2110.5°110.6°
N1C16H161109.5°109.4°
N1C16H162109.4°109.5°
N1C16H163109.4°109.4°
C3N1C2103.7°103.6°
N1C3C12103.2°104.2°
N1C3C8111.8°107.2°
N1C3H3111.9°112.2°
N1C2C13103.0°104.0°
N1C2C7109.1°107.3°
N1C2H2114.5°112.3°
C12C3C8109.0°107.8°
C3C12C13104.9°104.9°
C12C3H3114.6°112.2°
C3C12H121111.0°110.4°
C3C12H122112.0°110.4°
C3C8C6115.2°108.9°
C8C3H3106.4°112.6°
C3C8H81C107.6°109.5°
C3C8H82C106.3°109.5°
C12C13C2104.2°104.9°
C13C12H121111.0°110.4°
C13C12H122112.0°110.3°
C12C13H131111.3°110.4°
C12C13H132112.4°110.4°
C13C2C7111.6°107.8°
C13C2H2112.2°112.4°
C2C13H131111.3°110.3°
C2C13H132112.4°110.3°
C2C7C6116.1°108.9°
C7C2H2106.4°112.6°
C2C7H71C107.3°109.6°
C2C7H72C105.8°109.6°
C8C6C7115.8°109.7°
C8C6O1111.6°109.4°
C6C8H81C107.6°109.6°
C6C8H82C106.3°109.6°
C8C6H6104.0°109.4°
C7C6O1111.5°109.4°
C6C7H71C107.3°109.6°
C6C7H72C105.8°109.6°
C7C6H6104.1°109.5°
C6O1C1111.5°114.0°
O1C6H6109.1°109.4°
O1C1C5112.8°106.3°
O1C1C4109.6°106.2°
O1C1H1108.5°105.4°
C5C1C4113.3°125.0°
C1C5C19120.0°112.4°
C1C5C9121.4°127.6°
C5C1H1104.4°106.3°
C1C4C10126.2°128.1°
C1C4C18115.5°112.3°
C4C1H1107.9°106.1°
C19C5C9118.6°120.0°
C5C19C23119.7°121.5°
C5C19H19120.1°119.2°
C5C9C21121.8°118.5°
C5C9C15118.7°132.1°
C19C23C26121.5°118.7°
C23C19H19120.1°119.2°
C19C23H23119.3°120.7°
C23C26C21118.9°119.1°
C26C23H23119.3°120.6°
C23C26H26120.5°120.4°
C26C21C9119.4°122.0°
C21C26H26120.5°120.5°
C26C21H21120.3°119.0°
C21C9C15119.5°109.4°
C9C21H21120.3°119.0°
C9C15C14108.5°114.8°
C9C15H151109.8°108.4°
C9C15H152110.0°108.4°
C15C14C10116.0°114.9°
C14C15H151109.8°108.4°
C14C15H152110.0°108.4°
C15C14H141107.3°108.4°
C15C14H142105.8°108.4°
C14C10C22114.1°109.6°
C14C10C4126.9°131.7°
C10C14H141107.4°108.4°
C10C14H142105.8°108.4°
C22C10C4119.1°118.7°
C10C22C25121.9°122.0°
C10C22H22119.0°119.0°
C10C4C18118.3°119.6°
C22C25C24119.2°119.1°
C25C22H22119.1°119.0°
C22C25H25120.4°120.4°
C25C24C18119.5°118.7°
C24C25H25120.4°120.5°
C25C24H24120.2°120.6°
C24C18C4122.0°121.8°
C18C24H24120.3°120.7°
C24C18H18119.0°119.1°
C4C18H18119.0°119.1°
H171C17H172109.5°109.5°
H171C17H173109.5°109.5°
H172C17H173109.5°109.5°
H161C16H162109.5°109.5°
H161C16H163109.5°109.5°
H162C16H163109.5°109.5°
H121C12H122106.0°110.4°
H81CC8H82C114.1°109.7°
H131C13H132105.5°110.5°
H71CC7H72C114.8°109.6°
H151C15H152108.7°108.2°
H141C14H142114.7°108.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17N1C16C3122.3°122.9°
C17N1C16C2120.2°122.9°
C17N1C3C2114.9°118.6°
C17N1C3C1271.3°76.9°
C17N1C3C8171.8°169.0°
C17N1C2C1368.8°77.0°
C17N1C2C7172.5°169.0°
N1C17H171H172120.0°120.0°
N1C17H171H173120.0°120.0°
N1C17H172H173120.0°120.0°
C17N1C16H16125.5°59.3°
C17N1C16H16294.5°179.3°
C17N1C16H163145.4°60.7°
C17N1C3H352.5°44.8°
C17N1C2H253.3°44.8°
C16N1C3C2121.3°118.5°
C16N1C3C12164.9°160.2°
C16N1C3C847.9°46.1°
C16N1C2C13170.0°160.1°
C16N1C2C751.3°46.1°
C16N1C17H171155.3°59.2°
C16N1C17H17235.3°179.2°
C16N1C17H17384.7°60.8°
N1C16H161H162120.0°120.0°
N1C16H161H163119.9°119.9°
N1C16H162H163120.0°120.0°
C16N1C3H371.4°78.1°
C16N1C2H267.9°78.1°
N1C3C12C8119.0°113.7°
N1C3C12H3121.9°121.7°
N1C3C8H3122.4°124.0°
N1C3C12C1324.4°25.1°
C3N1C2C1345.1°41.6°
C3N1C2C773.6°72.4°
N1C3C8C637.4°64.1°
C3N1C17H17128.1°177.9°
C3N1C17H17291.9°57.9°
C3N1C17H173148.1°62.1°
C3N1C16H161147.7°63.6°
C3N1C16H16227.7°56.4°
C3N1C16H16392.3°176.4°
C3N1C2H2167.3°163.4°
N1C3C12H121144.5°144.0°
N1C3C12H12297.3°93.7°
N1C3C8H81C82.6°55.8°
N1C3C8H82C154.8°176.1°
C2N1C3C1243.6°41.7°
C2N1C3C873.4°72.4°
N1C2C13C1228.5°25.1°
N1C2C13C7116.9°113.7°
N1C2C13H2123.7°121.7°
N1C2C7H2124.1°124.0°
N1C2C7C640.5°64.0°
C2N1C17H17183.4°63.7°
C2N1C17H172156.6°56.4°
C2N1C17H17336.6°176.3°
C2N1C16H16194.7°177.8°
C2N1C16H162145.3°57.8°
C2N1C16H16325.3°62.2°
C2N1C3H3167.4°163.3°
N1C2C13H131148.5°144.0°
N1C2C13H13293.4°93.7°
N1C2C7H71C160.5°176.1°
N1C2C7H72C76.5°55.8°
C12C3C8H3124.1°124.4°
C3C12C13H121120.0°118.9°
C3C12C13H122121.7°118.8°
C3C12C13C22.3°0.0°
C12C3C8C676.1°47.6°
C3C12H121H122121.8°122.3°
C12C3C8H81C164.0°167.4°
C12C3C8H82C41.4°72.2°
C3C12C13H131122.3°118.8°
C3C12C13H132119.7°118.8°
C8C3C12C1394.5°88.6°
C3C8C6H81C120.0°119.8°
C3C8C6H82C117.4°119.8°
C3C8C6C73.7°54.1°
C3C8C6O1132.6°174.1°
C8C3C12H12125.5°30.3°
C8C3C12H122143.7°152.6°
C3C8H81CH82C117.7°120.2°
C3C8C6H6109.9°66.0°
C12C13C2H131120.0°118.8°
C12C13C2H132122.0°118.9°
C12C13C2C788.4°88.5°
C13C12C3H3146.4°146.8°
C12C13C2H2152.2°146.8°
C13C12H121H122121.9°122.2°
C12C13H131H132122.1°122.4°
C13C2C7H2122.8°124.5°
C13C2C7C672.6°47.5°
C2C13C12H121117.7°118.9°
C2C13C12H122124.0°118.8°
C2C13H131H132122.2°122.2°
C13C2C7H71C47.4°72.4°
C13C2C7H72C170.4°167.3°
C2C7C6C85.4°54.1°
C2C7C6H71C120.0°119.9°
C2C7C6H72C117.0°119.8°
C2C7C6O1134.4°174.0°
C7C2C13H13131.6°30.3°
C7C2C13H132149.6°152.6°
C2C7H71CH72C117.3°120.3°
C2C7C6H6108.2°66.0°
C8C6C7O1129.0°119.9°
C8C6C7H6113.5°120.1°
C8C6O1H6114.3°119.9°
C8C6O1C1127.7°137.7°
C6C8C3H3159.9°172.0°
C6C8H81CH82C117.6°120.4°
C8C6C7H71C125.4°174.0°
C8C6C7H72C111.6°65.7°
C7C6O1H6114.4°120.0°
C7C6O1C1101.0°102.1°
C6C7C2H2164.6°172.0°
C7C6C8H81C116.3°65.6°
C7C6C8H82C121.1°173.9°
C6C7H71CH72C117.3°120.3°
C6O1C1C5135.2°63.9°
C6O1C1C497.6°71.2°
O1C6C8H81C12.7°54.3°
O1C6C8H82C109.9°66.1°
O1C6C7H71C105.6°66.1°
O1C6C7H72C17.4°54.2°
C6O1C1H120.1°176.4°
O1C1C5C4125.2°124.1°
O1C1C5H1117.6°111.9°
O1C1C4H1118.0°111.8°
O1C1C5C19118.9°60.9°
O1C1C5C961.1°119.4°
O1C1C4C1081.0°129.0°
O1C1C4C1898.0°49.8°
C1O1C6H613.4°17.9°
C5C1C4H1115.1°124.0°
C1C5C19C9180.0°179.7°
C1C5C19C23179.9°177.1°
C1C5C9C21179.9°175.2°
C1C5C9C150.3°9.0°
C5C1C4C1045.9°4.8°
C5C1C4C18135.1°173.9°
C1C5C19H190.1°3.0°
C4C1C5C19115.9°174.9°
C4C1C5C964.1°4.8°
C1C4C10C141.5°8.0°
C1C4C10C22179.8°173.3°
C1C4C10C18179.0°178.7°
C1C4C18C24179.5°175.3°
C1C4C18H180.5°4.8°
C5C19C23H19180.0°179.9°
C5C19C23C260.2°0.6°
C19C5C9C210.1°4.5°
C19C5C9C15179.7°171.4°
C19C5C1H11.3°51.0°
C5C19C23H23179.7°179.6°
C9C5C19C230.1°2.6°
C5C9C21C260.2°3.4°
C5C9C21C15179.6°176.7°
C5C9C15C1475.7°46.4°
C9C5C1H1178.7°128.7°
C9C5C19H19179.9°177.3°
C5C9C21H21179.8°176.6°
C5C9C15H15144.3°75.0°
C5C9C15H152163.9°167.8°
C19C23C26H23180.0°179.8°
C19C23C26C210.2°1.7°
C19C23C26H26179.9°178.4°
C23C26C21H26180.0°179.9°
C23C26C21C90.1°0.3°
C26C23C19H19179.7°179.5°
C23C26C21H21179.9°179.7°
C26C21C9H21180.0°180.0°
C26C21C9C15179.8°173.3°
C21C26C23H23179.8°178.5°
C21C9C15C14103.9°137.5°
C9C21C26H26179.9°179.7°
C21C9C15H151136.1°101.1°
C21C9C15H15216.5°16.1°
C9C15C14H151120.0°121.4°
C9C15C14H152120.4°121.3°
C9C15C14C1069.8°61.9°
C15C9C21H210.2°6.7°
C9C15H151H152120.4°117.3°
C9C15C14H141170.2°176.7°
C9C15C14H14247.2°59.6°
C15C14C10H141120.0°121.3°
C15C14C10H142117.0°121.5°
C15C14C10C22166.8°136.0°
C15C14C10C414.5°45.3°
C14C15H151H152120.4°117.4°
C15C14H141H142117.3°117.3°
C14C10C22C4178.9°178.9°
C14C10C22C25179.5°175.5°
C14C10C4C18179.5°173.3°
C10C14C15H15150.2°59.5°
C10C14C15H152169.8°176.8°
C10C14H141H142117.3°117.4°
C14C10C22H220.6°4.5°
C10C22C25H22180.0°180.0°
C10C22C25C240.0°0.6°
C22C10C4C180.8°5.3°
C22C10C14H14146.8°14.6°
C22C10C14H14276.2°102.6°
C10C22C25H25180.0°179.4°
C4C10C22C250.6°3.4°
C10C4C18C240.4°3.6°
C10C4C1H1161.0°119.2°
C4C10C14H141134.5°166.6°
C4C10C14H142102.6°76.2°
C4C10C22H22179.4°176.6°
C10C4C18H18179.6°176.3°
C22C25C24H25180.0°180.0°
C22C25C24C180.4°2.4°
C22C25C24H24179.6°177.6°
C25C24C18H24180.0°180.0°
C25C24C18C40.2°0.4°
C24C25C22H22180.0°179.4°
C25C24C18H18179.9°179.6°
C24C18C4H18180.0°179.9°
C18C24C25H25179.6°177.6°
C18C4C1H120.0°62.1°
C4C18C24H24179.8°179.6°
H171C17H172H173120.0°120.0°
H161C16H162H163120.0°120.1°
H3C3C12H12193.6°94.3°
H3C3C12H12224.6°28.0°
H3C3C8H81C39.9°68.2°
H3C3C8H82C82.7°52.1°
H2C2C13H13187.8°94.3°
H2C2C13H13230.3°28.0°
H2C2C7H71C75.4°52.1°
H2C2C7H72C47.6°68.2°
H121C12C13H1312.3°0.0°
H121C12C13H132120.3°122.4°
H122C12C13H131115.9°122.3°
H122C12C13H1322.1°0.1°
H81CC8C6H6130.1°174.2°
H82CC8C6H67.5°53.7°
H71CC7C6H611.8°53.9°
H72CC7C6H6134.9°174.2°
H19C19C23H230.3°0.4°
H23C23C26H260.2°1.5°
H26C26C21H210.1°0.3°
H151C15C14H14169.8°61.8°
H151C15C14H142167.2°179.0°
H152C15C14H14149.8°55.4°
H152C15C14H14273.2°61.8°
H22C22C25H250.0°0.6°
H25C25C24H240.4°2.4°
H24C24C18H180.1°0.3°

222624

PDB entries from 2024-07-17

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