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68M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C3sing1.39Å1.34Å
C3N1doub1.32Å1.34ÅAromatic
C3C4sing1.40Å1.40ÅAromatic
N1C2sing1.34Å1.36ÅAromatic
C17C12sing1.53Å1.55Å
C11C12sing1.53Å1.55Å
C11C4sing1.51Å1.52Å
C12C13sing1.51Å1.54Å
C4C5doub1.36Å1.39ÅAromatic
C2C9doub1.41Å1.39ÅAromatic
C2C1sing1.42Å1.38ÅAromatic
C9C8sing1.36Å1.40ÅAromatic
C5C1sing1.41Å1.41ÅAromatic
N3C13sing1.35Å1.33Å
N3C14sing1.47Å1.47Å
C13O1doub1.21Å1.23Å
C1C6doub1.40Å1.41ÅAromatic
C8C7doub1.40Å1.40ÅAromatic
C14C15sing1.53Å1.54Å
C15C16sing1.53Å1.54Å
C6C7sing1.38Å1.40ÅAromatic
C7C10sing1.48Å1.42Å
C19C16sing1.53Å1.54Å
C16C20sing1.53Å1.52Å
C16C18sing1.53Å1.52Å
N4C10doub1.33Å1.35ÅAromatic
N4C24sing1.32Å1.34ÅAromatic
C10C21sing1.39Å1.40ÅAromatic
C24C23doub1.38Å1.39ÅAromatic
C21C25sing1.51Å1.51Å
C21C22doub1.38Å1.40ÅAromatic
C23C22sing1.39Å1.38ÅAromatic
C18H1sing1.09Å1.10Å
C18H2sing1.09Å1.10Å
C18H3sing1.09Å1.10Å
C19H4sing1.09Å1.10Å
C19H5sing1.09Å1.10Å
C19H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C20H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
N3H14sing0.97Å1.00Å
C12H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C11H19sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
N2H21sing0.97Å1.00Å
N2H22sing0.97Å1.00Å
C5H23sing1.08Å1.08Å
C6H24sing1.08Å1.08Å
C9H25sing1.08Å1.08Å
C8H26sing1.08Å1.08Å
C24H27sing1.08Å1.08Å
C23H28sing1.08Å1.08Å
C22H29sing1.08Å1.08Å
C25H30sing1.09Å1.10Å
C25H31sing1.09Å1.10Å
C25H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C3N1119.8°119.2°
N2C3C4118.6°119.3°
C3N2H21109.5°120.1°
C3N2H22109.5°119.9°
N1C3C4121.6°121.6°
C3N1C2121.4°121.3°
C3C4C11122.6°120.0°
C3C4C5117.7°119.9°
N1C2C9120.2°120.8°
N1C2C1119.9°119.8°
C17C12C11112.1°109.5°
C17C12C13110.9°109.5°
C17C12H15106.8°109.5°
C12C17H16109.5°109.5°
C12C17H17109.5°109.5°
C12C17H18109.5°109.5°
C12C11C4107.1°109.5°
C11C12C13112.9°109.5°
C11C12H15106.8°109.4°
C12C11H19110.1°109.5°
C12C11H20110.0°109.5°
C11C4C5119.7°120.1°
C4C11H19110.1°109.5°
C4C11H20110.1°109.4°
C12C13N3116.0°119.9°
C12C13O1121.6°120.0°
C13C12H15106.9°109.5°
C4C5C1120.2°118.3°
C4C5H23119.9°120.9°
C9C2C1119.9°119.4°
C2C9C8121.3°120.1°
C2C9H25119.3°120.0°
C2C1C5119.3°119.2°
C2C1C6119.2°119.7°
C9C8C7119.5°120.9°
C8C9H25119.4°120.0°
C9C8H26120.2°119.5°
C5C1C6121.5°121.1°
C1C5H23119.9°120.9°
C13N3C14124.9°119.9°
N3C13O1122.3°120.0°
C13N3H14117.5°120.1°
N3C14C15105.0°109.5°
N3C14H12110.6°109.5°
N3C14H13110.6°109.5°
C14N3H14117.6°120.0°
C1C6C7121.0°119.4°
C1C6H24119.5°120.3°
C8C7C6118.9°120.4°
C8C7C10118.4°119.8°
C7C8H26120.2°119.5°
C14C15C16116.3°109.5°
C14C15H10107.7°109.5°
C14C15H11107.7°109.5°
C15C14H12110.6°109.5°
C15C14H13110.6°109.5°
C15C16C19109.7°109.5°
C15C16C20110.2°109.4°
C15C16C18108.8°109.5°
C16C15H10107.7°109.5°
C16C15H11107.7°109.5°
C6C7C10122.3°119.8°
C7C6H24119.5°120.3°
C7C10N4113.3°119.7°
C7C10C21127.0°119.8°
C19C16C20109.0°109.5°
C19C16C18108.8°109.5°
C16C19H4109.5°109.5°
C16C19H5109.5°109.5°
C16C19H6109.5°109.5°
C20C16C18110.5°109.5°
C16C20H7109.5°109.5°
C16C20H8109.5°109.5°
C16C20H9109.4°109.4°
C16C18H1109.5°109.4°
C16C18H2109.5°109.5°
C16C18H3109.5°109.5°
C10N4C24123.8°121.6°
N4C10C21119.7°120.5°
N4C24C23118.3°120.9°
N4C24H27120.9°119.5°
C10C21C25123.2°120.4°
C10C21C22117.9°119.1°
C24C23C22120.1°119.4°
C23C24H27120.9°119.6°
C24C23H28119.9°120.3°
C25C21C22118.9°120.5°
C21C25H30109.5°109.5°
C21C25H31109.5°109.5°
C21C25H32109.5°109.5°
C21C22C23120.2°118.6°
C21C22H29119.9°120.7°
C22C23H28119.9°120.3°
C23C22H29119.9°120.8°
H1C18H2109.5°109.5°
H1C18H3109.4°109.5°
H2C18H3109.5°109.5°
H4C19H5109.4°109.5°
H4C19H6109.5°109.5°
H5C19H6109.5°109.5°
H7C20H8109.5°109.5°
H7C20H9109.4°109.5°
H8C20H9109.5°109.5°
H10C15H11109.5°109.5°
H12C14H13109.5°109.5°
H16C17H17109.4°109.5°
H16C17H18109.5°109.4°
H17C17H18109.5°109.4°
H19C11H20109.5°109.5°
H21N2H22109.4°120.0°
H30C25H31109.4°109.4°
H30C25H32109.5°109.5°
H31C25H32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C3N1C4179.8°180.0°
N2C3N1C2179.1°180.0°
N2C3C4C112.5°0.0°
N2C3C4C5178.7°179.8°
C3N2H21H22120.0°179.9°
N1C3C4C11177.3°180.0°
N1C3C4C51.5°0.2°
C3N1C2C9179.8°180.0°
C3N1C2C11.0°0.2°
N1C3N2H210.0°5.7°
N1C3N2H22120.0°174.3°
C4C3N1C21.1°0.0°
C3C4C11C1267.5°80.9°
C3C4C11C5178.7°179.7°
C3C4C5C11.8°0.3°
C3C4C11H19172.9°39.2°
C3C4C11H2052.1°159.2°
C4C3N2H21179.8°174.3°
C4C3N2H2260.2°5.7°
C3C4C5H23178.3°179.8°
N1C2C9C1179.2°179.8°
N1C2C9C8179.9°180.0°
N1C2C1C51.2°0.1°
N1C2C1C6178.9°179.7°
N1C2C9H250.1°0.0°
C17C12C11C13126.2°120.0°
C17C12C11H15116.7°120.0°
C17C12C11C4179.5°65.5°
C17C12C13H15116.1°120.0°
C17C12C13N3122.6°60.0°
C17C12C13O158.0°120.0°
C12C17H16H17120.0°120.1°
C12C17H16H18120.0°120.0°
C12C17H17H18120.0°120.0°
C17C12C11H1959.9°174.4°
C17C12C11H2060.9°54.5°
C12C11C4H19119.6°120.1°
C12C11C4H20119.6°120.0°
C11C12C13H15117.1°120.0°
C12C11C4C5111.3°99.4°
C11C12C13N3110.6°180.0°
C11C12C13O168.7°0.0°
C11C12C17H16180.0°54.4°
C11C12C17H1760.0°174.5°
C11C12C17H1860.0°65.5°
C12C11H19H20121.1°120.0°
C4C11C12C1353.3°174.5°
C11C4C5C1177.1°180.0°
C4C11C12H1563.8°54.5°
C4C11H19H20121.1°120.0°
C11C4C5H232.9°0.1°
C12C13N3O1179.3°180.0°
C12C13N3C14174.6°180.0°
C12C13N3H145.4°0.0°
C13C12C17H1652.8°65.6°
C13C12C17H17172.8°54.5°
C13C12C17H1867.2°174.5°
C13C12C11H1966.3°54.4°
C13C12C11H20173.0°65.6°
C4C5C1C21.7°0.1°
C4C5C1H23180.0°179.9°
C4C5C1C6179.3°180.0°
C5C4C11H198.4°140.5°
C5C4C11H20129.1°20.5°
C2C9C8H25180.0°180.0°
C9C2C1C5179.5°180.0°
C9C2C1C61.8°0.1°
C2C9C8C71.2°0.5°
C2C9C8H26178.9°180.0°
C1C2C9C80.8°0.2°
C2C1C5C6177.7°179.8°
C2C1C6C73.2°0.1°
C2C1C5H23178.4°179.9°
C2C1C6H24176.8°179.9°
C1C2C9H25179.2°179.8°
C9C8C7H26180.0°179.5°
C9C8C7C62.5°0.6°
C9C8C7C10175.8°179.7°
C5C1C6C7179.1°179.9°
C5C1C6H240.9°0.1°
C13N3C14H14180.0°179.9°
C13N3C14C15108.7°180.0°
C13N3C14H12132.0°60.0°
C13N3C14H1310.6°60.0°
N3C13C12H156.5°60.0°
C14N3C13O14.7°0.1°
N3C14C15H12119.3°120.0°
N3C14C15H13119.3°120.1°
N3C14C15C16179.8°180.0°
N3C14C15H1058.8°60.0°
N3C14C15H1159.2°60.0°
N3C14H12H13122.1°120.1°
O1C13N3H14175.2°180.0°
O1C13C12H15174.2°120.0°
C1C6C7C83.6°0.2°
C1C6C7H24180.0°180.0°
C1C6C7C10176.6°180.0°
C6C1C5H230.7°0.1°
C8C7C6C10173.1°179.7°
C8C7C10N4114.0°145.5°
C8C7C10C2163.7°34.7°
C8C7C6H24176.5°179.7°
C7C8C9H25178.8°179.5°
C14C15C16H10121.0°120.0°
C14C15C16H11121.0°120.0°
C14C15C16C19172.8°180.0°
C14C15C16C2052.9°60.0°
C14C15C16C1868.4°60.0°
C14C15H10H11116.9°120.0°
C15C14H12H13122.1°120.0°
C15C14N3H1471.3°0.1°
C15C16C19C20120.7°120.0°
C15C16C19C18118.8°120.0°
C15C16C20C18120.2°120.0°
C15C16C18H1180.0°180.0°
C15C16C18H260.0°60.1°
C15C16C18H360.0°60.0°
C15C16C19H4180.0°60.0°
C15C16C19H560.0°60.0°
C15C16C19H660.0°180.0°
C15C16C20H7180.0°60.0°
C15C16C20H860.0°60.0°
C15C16C20H960.0°180.0°
C16C15H10H11116.9°120.0°
C16C15C14H1261.0°60.0°
C16C15C14H1360.5°60.0°
C6C7C10N459.1°34.8°
C6C7C10C21123.2°145.0°
C6C7C8H26177.5°180.0°
C7C10N4C21177.9°179.7°
C7C10N4C24177.7°180.0°
C7C10C21C253.7°0.0°
C7C10C21C22178.1°179.8°
C10C7C6H243.4°0.0°
C10C7C8H264.2°0.2°
C19C16C20C18119.4°120.0°
C19C16C18H160.6°60.0°
C19C16C18H2179.4°60.0°
C19C16C18H359.4°180.0°
C16C19H4H5120.0°120.0°
C16C19H4H6120.0°120.0°
C16C19H5H6120.0°120.0°
C19C16C20H759.6°180.0°
C19C16C20H860.4°59.9°
C19C16C20H9179.6°60.0°
C19C16C15H1066.2°60.0°
C19C16C15H1151.8°60.0°
C20C16C18H159.0°60.0°
C20C16C18H261.0°180.0°
C20C16C18H3178.9°60.0°
C20C16C19H459.3°60.0°
C20C16C19H5179.3°180.0°
C20C16C19H660.7°60.0°
C16C20H7H8120.0°120.0°
C16C20H7H9120.0°120.0°
C16C20H8H9120.0°119.9°
C20C16C15H10173.9°180.0°
C20C16C15H1168.1°60.0°
C16C18H1H2120.0°120.0°
C16C18H1H3120.0°120.0°
C16C18H2H3120.0°120.0°
C18C16C19H461.2°180.0°
C18C16C19H558.8°60.0°
C18C16C19H6178.8°60.0°
C18C16C20H759.8°60.0°
C18C16C20H8179.8°180.0°
C18C16C20H960.2°60.0°
C18C16C15H1052.6°60.0°
C18C16C15H11170.6°180.0°
C10N4C24C230.8°0.0°
N4C10C21C25178.7°179.7°
N4C10C21C220.5°0.5°
C10N4C24H27179.2°179.9°
C24N4C10C210.2°0.3°
N4C24C23H27180.0°180.0°
N4C24C23C220.7°0.0°
N4C24C23H28179.3°180.0°
C10C21C25C22178.2°179.8°
C10C21C22C230.6°0.5°
C10C21C22H29179.4°179.7°
C10C21C25H3089.0°90.0°
C10C21C25H31151.0°150.0°
C10C21C25H3231.0°30.0°
C24C23C22C210.0°0.2°
C24C23C22H28180.0°180.0°
C24C23C22H29180.0°180.0°
C25C21C22C23178.9°179.7°
C25C21C22H291.1°0.1°
C21C25H30H31120.0°120.0°
C21C25H30H32120.0°120.1°
C21C25H31H32120.0°120.1°
C21C22C23H29180.0°179.8°
C21C22C23H28180.0°179.8°
C22C21C25H3089.2°89.7°
C22C21C25H3130.8°30.2°
C22C21C25H32150.8°150.2°
C22C23C24H27179.3°180.0°
H1C18H2H3119.9°120.0°
H4C19H5H6120.0°120.0°
H7C20H8H9120.0°120.0°
H10C15C14H12178.1°180.0°
H10C15C14H1360.5°60.0°
H11C15C14H1260.0°60.0°
H11C15C14H13178.5°180.0°
H12C14N3H1448.0°120.0°
H13C14N3H14169.4°119.9°
H15C12C17H1663.4°174.4°
H15C12C17H1756.6°65.5°
H15C12C17H18176.6°54.5°
H15C12C11H19176.5°65.6°
H15C12C11H2055.8°174.4°
H16C17H17H18120.0°119.9°
H25C9C8H261.1°0.0°
H27C24C23H280.7°0.1°
H28C23C22H290.0°0.1°
H30C25H31H32120.0°119.9°

222415

PDB entries from 2024-07-10

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