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B9P

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C16doub1.32Å1.38ÅAromatic
C15C14sing1.47Å1.38ÅAromatic
C30C14doub1.31Å1.41ÅAromatic
C30C31sing1.48Å1.40ÅAromatic
C16C1sing1.47Å1.37ÅAromatic
C14C13sing1.47Å1.40ÅAromatic
C31C32doub1.31Å1.40ÅAromatic
C10C9sing1.53Å1.54Å
C10C11sing1.51Å1.52Å
C1C11sing1.47Å1.51Å
C1C12doub1.31Å1.43ÅAromatic
C13C12sing1.47Å1.41ÅAromatic
C13C33doub1.31Å1.39ÅAromatic
C32C33sing1.47Å1.42ÅAromatic
C32C19sing1.47Å1.40ÅAromatic
C9C8sing1.53Å1.53Å
C11O11doub1.21Å1.21Å
C12C36sing1.47Å1.39ÅAromatic
C33C34sing1.47Å1.38ÅAromatic
C19C18doub1.32Å1.39ÅAromatic
C36C35doub1.32Å1.38ÅAromatic
C34C35sing1.47Å1.40ÅAromatic
C34C17doub1.31Å1.39ÅAromatic
C18C17sing1.47Å1.39ÅAromatic
C8C7sing1.53Å1.55Å
C7C2sing1.53Å1.55Å
S1C2sing1.84Å1.81Å
S1C6sing1.84Å1.80Å
N2C3sing1.34Å1.34Å
N2C4sing1.47Å1.45Å
C2C4sing1.54Å1.55Å
O3C3doub1.22Å1.23Å
C3N1sing1.34Å1.35Å
C4C5sing1.53Å1.55Å
C6C5sing1.54Å1.50Å
N1C5sing1.47Å1.43Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C2H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
C5H12sing1.09Å1.10Å
N1H13sing0.97Å1.00Å
C4H14sing1.09Å1.10Å
N2H15sing0.97Å1.00Å
C16H16sing1.08Å1.08Å
C15H17sing1.08Å1.08Å
C30H18sing1.08Å1.08Å
C31H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C18H21sing1.08Å1.08Å
C17H22sing1.08Å1.08Å
C35H23sing1.08Å1.08Å
C36H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C15C14121.2°119.4°
C15C16C1121.3°122.7°
C15C16H16119.4°118.6°
C16C15H17119.4°120.3°
C15C14C30119.3°122.7°
C15C14C13118.1°117.6°
C14C15H17119.4°120.3°
C14C30C31119.7°120.0°
C30C14C13122.6°119.8°
C14C30H18120.2°120.0°
C30C31C32118.7°120.0°
C31C30H18120.2°120.0°
C30C31H19120.7°120.0°
C16C1C11118.7°119.0°
C16C1C12120.1°122.0°
C1C16H16119.3°118.7°
C14C13C12122.4°119.3°
C14C13C33117.1°120.2°
C31C32C33120.6°119.7°
C31C32C19119.2°122.6°
C32C31H19120.6°120.0°
C9C10C11112.2°109.5°
C10C9C8113.0°109.5°
C9C10H1108.8°109.5°
C9C10H2108.8°109.5°
C10C9H3108.6°109.5°
C10C9H4108.6°109.4°
C10C11C1122.5°120.0°
C10C11O11119.2°120.0°
C11C10H1108.8°109.5°
C11C10H2108.8°109.4°
C11C1C12121.0°119.0°
C1C11O11118.1°120.0°
C1C12C13116.8°119.0°
C1C12C36122.1°121.8°
C12C13C33120.6°120.6°
C13C12C36121.0°119.2°
C13C33C32121.4°120.3°
C13C33C34117.9°120.5°
C33C32C19120.2°117.6°
C32C33C34120.7°119.2°
C32C19C18119.2°119.4°
C32C19H20120.4°120.3°
C9C8C7116.1°109.5°
C8C9H3108.6°109.5°
C8C9H4108.6°109.5°
C9C8H5107.8°109.5°
C9C8H6107.8°109.5°
C12C36C35117.8°120.2°
C12C36H24121.1°119.9°
C33C34C35121.6°119.2°
C33C34C17117.8°119.1°
C19C18C17119.4°122.8°
C18C19H20120.4°120.3°
C19C18H21120.3°118.6°
C36C35C34121.1°120.3°
C36C35H23119.4°119.9°
C35C36H24121.1°119.9°
C35C34C17120.5°121.8°
C34C35H23119.5°119.9°
C34C17C18122.8°122.0°
C34C17H22118.6°119.0°
C17C18H21120.3°118.6°
C18C17H22118.6°119.0°
C8C7C2111.3°109.5°
C7C8H5107.8°109.5°
C7C8H6107.8°109.5°
C8C7H7109.0°109.5°
C8C7H8109.0°109.5°
C7C2S1109.3°110.8°
C7C2C4117.2°110.8°
C2C7H7109.0°109.5°
C2C7H8109.0°109.5°
C7C2H9109.3°110.7°
C2S1C689.7°94.8°
S1C2C4104.6°102.7°
S1C2H9106.4°110.9°
S1C6C5108.3°102.8°
S1C6H10109.8°110.8°
S1C6H11109.8°110.8°
C3N2C4111.8°109.1°
N2C3O3125.2°123.1°
N2C3N1109.3°113.8°
C3N2H15124.1°125.4°
N2C4C2113.9°109.2°
N2C4C5102.8°104.0°
N2C4H14111.4°110.5°
C4N2H15124.1°125.5°
C2C4C5108.4°112.4°
C4C2H9109.4°110.8°
C2C4H14110.1°110.3°
O3C3N1125.5°123.1°
C3N1C5112.7°109.1°
C3N1H13123.7°125.4°
C4C5C6109.7°112.4°
C4C5N1102.8°104.0°
C4C5H12109.7°110.5°
C5C4H14110.0°110.2°
C6C5N1112.7°109.2°
C5C6H10109.7°110.7°
C5C6H11109.8°110.8°
C6C5H12110.4°110.3°
N1C5H12111.4°110.3°
C5N1H13123.7°125.5°
H1C10H2109.5°109.5°
H3C9H4109.5°109.5°
H5C8H6109.5°109.5°
H7C7H8109.4°109.5°
H10C6H11109.5°110.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C15C14H17180.0°179.9°
C16C15C14C30179.6°180.0°
C15C16C1H16180.0°179.9°
C16C15C14C130.4°0.1°
C15C16C1C11178.1°180.0°
C15C16C1C122.6°0.3°
C15C14C30C13180.0°179.9°
C15C14C30C31179.9°179.9°
C14C15C16C10.8°0.1°
C15C14C13C120.1°0.3°
C15C14C13C33179.7°180.0°
C14C15C16H16179.2°180.0°
C15C14C30H180.1°0.0°
C14C30C31H18180.0°179.9°
C14C30C31C320.2°0.0°
C30C14C13C12179.9°179.8°
C30C14C13C330.3°0.0°
C30C14C15H170.5°0.1°
C14C30C31H19179.8°180.0°
C31C30C14C130.1°0.0°
C30C31C32H19180.0°180.0°
C30C31C32C330.3°0.0°
C30C31C32C19179.6°180.0°
C16C1C11C10112.6°6.6°
C16C1C11C12175.4°179.7°
C16C1C12C133.0°0.5°
C16C1C11O1163.1°173.7°
C16C1C12C36179.8°179.7°
C1C16C15H17179.2°180.0°
C14C13C12C11.8°0.5°
C14C13C12C33179.9°179.8°
C14C13C33C320.2°0.0°
C14C13C12C36179.0°179.7°
C14C13C33C34179.9°180.0°
C13C14C15H17179.6°180.0°
C13C14C30H18180.0°179.9°
C31C32C33C130.1°0.0°
C31C32C33C19179.2°180.0°
C31C32C33C34179.8°179.9°
C31C32C19C18179.7°180.0°
C32C31C30H18179.8°179.9°
C31C32C19H200.3°0.0°
C9C10C11H1120.4°120.0°
C9C10C11H2120.4°120.0°
C9C10C11C1163.6°179.7°
C10C9C8H3120.5°120.0°
C10C9C8H4120.5°120.0°
C9C10C11O1112.0°0.0°
C10C9C8C7167.4°180.0°
C9C10H1H2118.8°120.0°
C10C9H3H4118.4°119.9°
C10C9C8H571.6°60.0°
C10C9C8H646.5°60.0°
C10C11C1O11175.6°179.7°
C10C11C1C1272.0°173.1°
C11C10C9C883.8°180.0°
C11C10H1H2118.7°120.0°
C11C10C9H336.7°60.0°
C11C10C9H4155.6°60.0°
C11C1C12C13178.4°179.8°
C11C1C12C364.5°0.6°
C1C11C10H176.0°59.7°
C1C11C10H243.2°60.3°
C11C1C16H161.9°0.1°
C1C12C13C36177.2°179.2°
C1C12C13C33178.0°179.8°
C12C1C11O11112.4°6.6°
C1C12C36C35178.3°179.8°
C12C1C16H16177.4°179.8°
C1C12C36H241.8°0.5°
C12C13C33C32180.0°179.8°
C12C13C33C340.0°0.3°
C13C12C36C351.2°0.5°
C13C12C36H24178.8°179.7°
C13C33C32C34179.9°179.9°
C13C33C32C19179.4°180.0°
C33C13C12C360.8°0.5°
C13C33C34C350.5°0.1°
C13C33C34C17179.4°180.0°
C33C32C19C180.5°0.0°
C32C33C34C35179.6°180.0°
C32C33C34C170.5°0.1°
C33C32C31H19179.7°180.0°
C33C32C19H20179.5°180.0°
C19C32C33C340.6°0.1°
C32C19C18H20180.0°180.0°
C32C19C18C170.3°0.1°
C19C32C31H190.4°0.0°
C32C19C18H21179.7°180.0°
C9C8C7H5121.0°120.0°
C9C8C7H6121.0°120.0°
C9C8C7C2171.3°180.0°
C8C9C10H136.6°60.0°
C8C9C10H2155.8°60.0°
C8C9H3H4118.4°120.1°
C9C8H5H6117.0°120.0°
C9C8C7H768.4°60.0°
C9C8C7H851.0°60.0°
O11C11C10H1108.4°120.0°
O11C11C10H2132.4°120.0°
C12C36C35H24180.0°179.7°
C12C36C35C340.8°0.4°
C12C36C35H23179.2°179.7°
C33C34C35C360.1°0.1°
C33C34C35C17179.9°179.9°
C33C34C17C180.4°0.1°
C33C34C17H22179.6°180.0°
C33C34C35H23179.9°180.0°
C19C18C17C340.3°0.0°
C19C18C17H21180.0°180.0°
C19C18C17H22179.7°179.9°
C36C35C34H23180.0°179.9°
C36C35C34C17179.8°180.0°
C35C34C17C18179.7°180.0°
C35C34C17H220.3°0.1°
C34C35C36H24179.3°179.9°
C34C17C18H22180.0°179.9°
C34C17C18H21179.7°179.9°
C17C34C35H230.2°0.1°
C17C18C19H20179.7°180.0°
C8C7C2H7120.3°120.0°
C8C7C2H8120.3°120.0°
C8C7C2S185.6°71.7°
C8C7C2C4155.6°175.0°
C7C8C9H346.9°60.0°
C7C8C9H472.1°60.0°
C7C8H5H6116.9°120.0°
C8C7H7H8119.1°120.0°
C8C7C2H930.5°51.7°
C7C2S1C4126.4°118.3°
C7C2S1H9117.9°123.3°
C7C2S1C6166.9°153.0°
C7C2C4N241.7°28.0°
C7C2C4H9125.1°123.2°
C7C2C4C5155.4°142.9°
C2C7C8H550.3°60.0°
C2C7C8H667.8°60.0°
C2C7H7H8119.1°120.0°
C7C2C4H1484.3°93.6°
S1C2C4N279.6°90.3°
S1C2C4H9113.7°118.4°
S1C2C4C534.1°24.6°
C2S1C6C536.9°34.7°
S1C2C7H7154.1°168.3°
S1C2C7H834.7°48.3°
C2S1C6H10156.7°153.0°
C2S1C6H1182.9°83.7°
S1C2C4H14154.5°148.0°
C6S1C2C440.5°34.7°
S1C6C5C421.8°24.6°
S1C6C5H10119.8°118.3°
S1C6C5H11119.8°118.4°
S1C6C5N192.1°90.2°
C6S1C2H975.2°83.7°
S1C6H10H11120.6°123.4°
S1C6C5H12142.7°148.4°
C3N2C4H15180.0°180.0°
C3N2C4C2125.2°120.2°
N2C3O3N1177.2°180.0°
C3N2C4C58.2°0.0°
N2C3N1C50.1°0.0°
N2C3N1H13179.9°180.0°
C3N2C4H14109.6°118.3°
N2C4C2C5113.7°114.9°
N2C4C2H14126.0°121.7°
C4N2C3O3172.0°180.0°
C4N2C3N15.6°0.0°
N2C4C5H14118.8°118.5°
N2C4C5C6112.6°118.0°
N2C4C5N17.4°0.0°
N2C4C2H9166.7°151.3°
N2C4C5H12126.0°118.3°
C2C4C5H14120.4°123.5°
C2C4C5C68.2°0.0°
C2C4C5N1128.3°118.0°
C4C2C7H735.3°55.0°
C4C2C7H884.1°65.0°
C2C4C5H12113.1°123.7°
C2C4N2H1554.9°59.8°
O3C3N1C5177.5°180.0°
O3C3N1H132.5°0.0°
O3C3N2H158.0°0.0°
C3N1C5C44.8°0.0°
C3N1C5C6113.1°120.2°
C3N1C5H13180.0°180.0°
C3N1C5H12122.2°118.5°
N1C3N2H15174.4°180.0°
C4C5C6N1113.8°114.8°
C4C5C6H12121.0°123.8°
C4C5N1H12117.4°118.5°
C5C4C2H979.6°93.8°
C4C5C6H10141.6°143.0°
C4C5C6H1198.1°93.7°
C4C5N1H13175.1°180.0°
C5C4N2H15171.8°180.0°
C6C5N1H12124.7°121.4°
C5C6H10H11120.5°123.3°
C6C5N1H1366.9°59.8°
C6C5C4H14128.6°123.5°
N1C5C6H1027.8°28.1°
N1C5C6H11148.1°151.4°
N1C5C4H14111.3°118.5°
H1C10C9H3157.1°180.0°
H1C10C9H484.0°60.0°
H2C10C9H383.7°60.0°
H2C10C9H435.2°179.9°
H3C9C8H5167.9°180.0°
H3C9C8H674.0°60.0°
H4C9C8H548.9°60.0°
H4C9C8H6167.0°180.0°
H5C8C7H7170.6°180.0°
H5C8C7H870.0°60.0°
H6C8C7H752.5°60.0°
H6C8C7H8171.9°180.0°
H7C7C2H989.8°68.3°
H8C7C2H9150.8°171.7°
H9C2C4H1440.8°29.6°
H10C6C5H1297.4°93.2°
H11C6C5H1222.9°30.0°
H12C5N1H1357.8°61.5°
H12C5C4H147.2°0.2°
H14C4N2H1570.4°61.7°
H16C16C15H170.8°0.1°
H18C30C31H190.3°0.1°
H20C19C18H210.3°0.0°
H21C18C17H220.3°0.0°
H23C35C36H240.7°0.0°

223532

PDB entries from 2024-08-07

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