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B87

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.54Å1.55Å
C1C5sing1.55Å1.58Å
C2N3sing1.47Å1.47Å
N3C4sing1.47Å1.47Å
N3C6sing1.35Å1.35Å
C4C5sing1.55Å1.57Å
C6O7doub1.21Å1.23Å
C6C8sing1.51Å1.51Å
C8N9sing1.47Å1.46Å
N9C10sing1.47Å1.48Å
N9C14sing1.47Å1.47Å
C10C11sing1.53Å1.52Å
C11N12sing1.47Å1.45Å
N12C13sing1.47Å1.45Å
N12C15sing1.39Å1.41Å
C13C14sing1.53Å1.52Å
C15C16doub1.39Å1.39ÅAromatic
C15N20sing1.33Å1.36ÅAromatic
C16C17sing1.40Å1.39ÅAromatic
C17N18doub1.34Å1.36ÅAromatic
C17C21sing1.48Å1.49ÅAromatic
N18C19sing1.32Å1.34ÅAromatic
C19N20doub1.32Å1.34ÅAromatic
C21S22sing1.75Å1.74ÅAromatic
C21C25doub1.33Å1.41ÅAromatic
S22C23sing1.76Å1.67ÅAromatic
C23C24doub1.40Å1.47ÅAromatic
C23C26sing1.40Å1.39ÅAromatic
C24C25sing1.45Å1.46ÅAromatic
C24C29sing1.41Å1.39ÅAromatic
C26C27doub1.37Å1.40ÅAromatic
C27C28sing1.39Å1.39ÅAromatic
C28C29doub1.36Å1.41ÅAromatic
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C16H16sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C29H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C5106.6°103.0°
C1C2N3102.7°107.3°
C2C1H1110.4°110.7°
C2C1H1A110.4°110.7°
C1C2H2111.8°109.9°
C1C2H2A111.8°109.9°
C1C5C4105.3°101.6°
C5C1H1110.4°110.7°
C5C1H1A110.4°110.8°
C1C5H5110.9°111.0°
C1C5H5A110.9°111.0°
C2N3C4112.4°108.7°
C2N3C6123.9°125.6°
N3C2H2111.8°109.9°
N3C2H2A111.8°109.9°
C4N3C6123.8°125.7°
N3C4C5102.0°104.8°
N3C4H4112.0°110.4°
N3C4H4A112.0°110.4°
N3C6O7125.1°120.1°
N3C6C8117.2°120.0°
C5C4H4112.0°110.4°
C5C4H4A112.0°110.4°
C4C5H5110.9°111.0°
C4C5H5A110.8°111.0°
O7C6C8117.7°120.0°
C6C8N9110.6°109.5°
C6C8H8109.1°109.5°
C6C8H8A109.1°109.5°
C8N9C10118.1°111.0°
C8N9C14115.6°111.0°
N9C8H8109.1°109.5°
N9C8H8A109.1°109.4°
C10N9C14126.2°110.9°
N9C10C11109.8°109.4°
N9C10H10109.4°109.5°
N9C10H10A109.4°109.5°
N9C14C13112.0°109.3°
N9C14H14108.7°109.5°
N9C14H14A108.7°109.5°
C10C11N12102.0°109.4°
C11C10H10109.4°109.5°
C11C10H10A109.4°109.5°
C10C11H11112.1°109.4°
C10C11H11A112.0°109.5°
C11N12C13116.7°110.9°
C11N12C15121.7°111.0°
N12C11H11112.0°109.5°
N12C11H11A112.1°109.5°
C13N12C15121.6°110.9°
N12C13C14105.2°109.3°
N12C13H13110.9°109.5°
N12C13H13A111.0°109.5°
N12C15C16120.3°120.5°
N12C15N20120.8°120.5°
C14C13H13110.9°109.5°
C14C13H13A110.9°109.5°
C13C14H14108.7°109.5°
C13C14H14A108.7°109.5°
C16C15N20118.9°119.1°
C15C16C17118.7°118.2°
C15C16H16120.6°120.9°
C15N20C19121.7°121.0°
C16C17N18119.3°118.9°
C16C17C21120.6°120.5°
C17C16H16120.7°120.9°
N18C17C21120.2°120.6°
C17N18C19121.8°120.9°
C17C21S22112.6°124.4°
C17C21C25134.6°124.4°
N18C19N20119.7°122.0°
N18C19H19120.1°119.0°
N20C19H19120.2°119.0°
S22C21C25112.8°111.2°
C21S22C2394.9°92.2°
C21C25C24108.8°114.7°
C21C25H25125.6°122.6°
S22C23C24109.3°109.8°
S22C23C26127.6°130.4°
C24C23C26123.2°119.7°
C23C24C25114.2°112.0°
C23C24C29116.6°118.8°
C23C26C27117.7°120.2°
C23C26H26121.1°119.9°
C25C24C29129.2°129.2°
C24C25H25125.6°122.7°
C24C29C28119.5°120.5°
C24C29H29120.3°119.8°
C26C27C28120.4°120.2°
C27C26H26121.1°119.9°
C26C27H27119.8°119.9°
C27C28C29122.6°120.6°
C28C27H27119.8°119.9°
C27C28H28118.7°119.7°
C29C28H28118.7°119.7°
C28C29H29120.2°119.8°
H1C1H1A108.5°110.8°
H2C2H2A107.1°110.0°
H4C4H4A106.8°110.4°
H5C5H5A108.1°110.9°
H8C8H8A109.9°109.5°
H10C10H10A109.6°109.5°
H11C11H11A106.8°109.5°
H13C13H13A108.0°109.5°
H14C14H14A110.2°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C5H1120.0°118.3°
C2C1C5H1A120.0°118.4°
C1C2N3H2120.0°119.4°
C1C2N3H2A120.0°119.5°
C1C2N3C432.0°1.1°
C1C2N3C6147.2°178.9°
C2C1C5C44.0°35.5°
C2C1H1H1A121.2°123.2°
C1C2H2H2A122.7°121.1°
C2C1C5H5115.9°153.6°
C2C1C5H5A124.0°82.6°
C5C1C2N315.3°22.2°
C1C5C4N321.7°37.0°
C1C5C4H5120.0°118.1°
C1C5C4H5A120.0°118.1°
C5C1H1H1A121.2°123.3°
C5C1C2H2104.7°97.2°
C5C1C2H2A135.3°141.6°
C1C5C4H498.3°155.8°
C1C5C4H4A141.7°81.8°
C1C5H5H5A121.7°123.9°
C2N3C4C6179.2°180.0°
C2N3C4C534.5°24.2°
C2N3C6O7121.7°0.1°
C2N3C6C858.6°180.0°
N3C2C1H1104.7°96.2°
N3C2C1H1A135.3°140.6°
N3C2H2H2A122.8°121.1°
C2N3C4H485.5°143.0°
C2N3C4H4A154.5°94.7°
N3C4C5H4120.0°118.8°
N3C4C5H4A120.0°118.9°
C4N3C6O759.2°179.9°
C4N3C6C8120.5°0.0°
C4N3C2H288.0°120.5°
C4N3C2H2A152.0°118.4°
N3C4H4H4A123.0°122.3°
N3C4C5H598.3°155.1°
N3C4C5H5A141.7°81.1°
C6N3C4C5144.7°155.8°
N3C6O7C8179.7°180.0°
N3C6C8N948.5°180.0°
C6N3C2H292.8°59.5°
C6N3C2H2A27.2°61.6°
C6N3C4H495.3°37.0°
C6N3C4H4A24.7°85.3°
N3C6C8H8168.5°60.0°
N3C6C8H8A71.5°60.0°
C4C5C1H1124.0°82.8°
C4C5C1H1A116.0°153.9°
C5C4H4H4A123.0°122.3°
C4C5H5H5A121.7°123.9°
O7C6C8N9131.2°0.0°
O7C6C8H811.3°120.0°
O7C6C8H8A108.8°119.9°
C6C8N9H8120.0°120.0°
C6C8N9H8A120.0°120.0°
C6C8N9C1062.5°170.0°
C6C8N9C14120.0°66.2°
C6C8H8H8A119.5°120.0°
C8N9C10C14177.1°123.9°
C8N9C10C11151.1°176.8°
C8N9C14C13158.1°176.8°
N9C8H8H8A119.6°119.9°
C8N9C10H1031.1°56.8°
C8N9C10H10A88.9°63.2°
C8N9C14H1481.9°63.3°
C8N9C14H14A38.1°56.8°
N9C10C11H10120.0°120.0°
N9C10C11H10A120.0°120.0°
N9C10C11N1248.7°58.4°
C10N9C14C1324.7°59.3°
C10N9C8H857.5°50.0°
C10N9C8H8A177.5°70.0°
N9C10H10H10A119.9°120.0°
N9C10C11H1171.3°61.6°
N9C10C11H11A168.7°178.4°
C10N9C14H1495.3°60.6°
C10N9C14H14A144.8°179.3°
C14N9C10C1131.8°59.3°
N9C14C13N1236.2°58.4°
N9C14C13H14120.0°120.0°
N9C14C13H14A120.0°120.0°
C14N9C8H8119.9°173.8°
C14N9C8H8A0.1°53.8°
C14N9C10H10151.8°179.3°
C14N9C10H10A88.2°60.6°
N9C14C13H1383.8°61.5°
N9C14C13H13A156.2°178.4°
N9C14H14H14A119.0°120.1°
C10C11N12H11120.0°119.9°
C10C11N12H11A120.0°120.0°
C10C11N12C1376.2°59.3°
C10C11N12C15101.9°176.9°
C11C10H10H10A119.9°120.1°
C10C11H11H11A123.0°120.1°
C11N12C13C15178.1°123.8°
C11N12C13C1469.3°59.3°
C11N12C15C16179.8°180.0°
C11N12C15N200.0°0.2°
N12C11C10H10168.7°178.4°
N12C11C10H10A71.3°61.6°
N12C11H11H11A123.0°120.1°
C11N12C13H1350.6°60.6°
C11N12C13H13A170.7°179.3°
N12C13C14H13120.0°119.9°
N12C13C14H13A120.0°120.0°
C13N12C15C161.8°56.2°
C13N12C15N20178.0°123.6°
C13N12C11H1143.8°60.6°
C13N12C11H11A163.8°179.3°
N12C13H13H13A121.8°120.0°
N12C13C14H1483.8°61.6°
N12C13C14H14A156.2°178.4°
C15N12C13C14108.8°176.8°
N12C15C16N20179.8°179.8°
N12C15C16C17180.0°180.0°
N12C15N20C19179.9°179.7°
C15N12C11H11138.1°63.2°
C15N12C11H11A18.1°56.9°
C15N12C13H13131.3°63.2°
C15N12C13H13A11.2°56.8°
N12C15C16H160.0°0.0°
C14C13H13H13A121.7°120.1°
C13C14H14H14A119.0°120.0°
C15C16C17H16180.0°180.0°
C15C16C17N180.3°0.0°
C15C16C17C21179.5°180.0°
C16C15N20C190.3°0.5°
N20C15C16C170.2°0.2°
C15N20C19N180.5°0.5°
N20C15C16H16179.8°179.8°
C15N20C19H19179.5°179.8°
C16C17N18C21179.2°180.0°
C16C17N18C190.6°0.0°
C16C17C21S22174.0°0.1°
C16C17C21C255.9°179.7°
C17N18C19N200.7°0.3°
N18C17C21S225.2°180.0°
N18C17C21C25175.0°0.3°
N18C17C16H16179.7°180.0°
C17N18C19H19179.3°180.0°
C21C17N18C19179.8°179.9°
C17C21S22C25179.9°179.7°
C17C21S22C23179.8°180.0°
C17C21C25C24179.6°179.8°
C21C17C16H160.5°0.0°
C17C21C25H250.4°0.0°
N18C19N20H19180.0°179.7°
C21S22C23C240.0°0.0°
C21S22C23C26179.2°180.0°
S22C21C25C240.2°0.5°
S22C21C25H25179.8°179.7°
C25C21S22C230.1°0.3°
C21C25C24C230.3°0.5°
C21C25C24H25180.0°179.8°
C21C25C24C29179.7°179.8°
S22C23C24C26179.2°180.0°
S22C23C24C250.2°0.3°
S22C23C24C29179.8°180.0°
S22C23C26C27180.0°180.0°
S22C23C26H260.0°0.1°
C23C24C25C29180.0°179.7°
C24C23C26C270.9°0.0°
C23C24C29C280.1°0.0°
C23C24C25H25179.7°179.7°
C24C23C26H26179.0°180.0°
C23C24C29H29179.9°179.9°
C26C23C24C25179.4°179.7°
C26C23C24C290.6°0.0°
C23C26C27H26180.0°179.9°
C23C26C27C280.6°0.0°
C23C26C27H27179.4°180.0°
C25C24C29C28179.9°179.7°
C25C24C29H290.1°0.3°
C24C29C28C270.4°0.0°
C24C29C28H29180.0°179.9°
C29C24C25H250.3°0.0°
C24C29C28H28179.6°180.0°
C26C27C28H27180.0°179.9°
C26C27C28C290.0°0.0°
C26C27C28H28180.0°180.0°
C27C28C29H28180.0°180.0°
C28C27C26H26179.3°180.0°
C27C28C29H29179.6°180.0°
C29C28C27H27180.0°180.0°
H1C1C2H2135.3°144.4°
H1C1C2H2A15.3°23.3°
H1C1C5H54.1°35.2°
H1C1C5H5A116.0°159.0°
H1AC1C2H215.3°21.2°
H1AC1C2H2A104.7°100.0°
H1AC1C5H5124.1°88.1°
H1AC1C5H5A4.0°35.8°
H4C4C5H5141.7°86.1°
H4C4C5H5A21.7°37.7°
H4AC4C5H521.7°36.2°
H4AC4C5H5A98.3°160.1°
H10C10C11H1148.7°58.4°
H10C10C11H11A71.3°61.7°
H10AC10C11H11168.7°178.5°
H10AC10C11H11A48.7°58.4°
H13C13C14H14156.2°178.5°
H13C13C14H14A36.2°58.4°
H13AC13C14H1436.2°58.4°
H13AC13C14H14A83.8°61.7°
H26C26C27H270.7°0.1°
H27C27C28H280.0°0.0°
H28C28C29H290.4°0.1°

224931

PDB entries from 2024-09-11

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