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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N4C2doub1.33Å1.37ÅAromatic
N4C6sing1.32Å1.36ÅAromatic
N7C2sing1.37Å1.34ÅAromatic
N7C8sing1.37Å1.35ÅAromatic
C2C1sing1.41Å1.37ÅAromatic
C6N5doub1.32Å1.38ÅAromatic
C8C9doub1.34Å1.38ÅAromatic
C1C9sing1.46Å1.40ÅAromatic
C1C3doub1.40Å1.40ÅAromatic
N5C3sing1.33Å1.38ÅAromatic
C3N10sing1.38Å1.40Å
N10C11sing1.47Å1.48Å
N10C15sing1.47Å1.45Å
C11C12sing1.53Å1.55Å
CL3C27sing1.74Å1.72Å
C15C14sing1.53Å1.53Å
C27C28doub1.38Å1.39ÅAromatic
C27C26sing1.38Å1.39ÅAromatic
C12C13sing1.53Å1.53Å
C14C13sing1.53Å1.56Å
C28C29sing1.38Å1.39ÅAromatic
C26C25doub1.38Å1.39ÅAromatic
C13C17sing1.51Å1.54Å
C13N16sing1.47Å1.48Å
O18C17doub1.21Å1.23Å
C29C24doub1.38Å1.39ÅAromatic
C25C24sing1.38Å1.40ÅAromatic
C17N19sing1.35Å1.37Å
C24C20sing1.51Å1.52Å
N19C20sing1.46Å1.47Å
C20C21sing1.53Å1.55Å
C21C22sing1.53Å1.54Å
C22O23sing1.43Å1.41Å
C26H1sing1.08Å1.08Å
C25H2sing1.08Å1.08Å
C28H3sing1.08Å1.08Å
C29H4sing1.08Å1.08Å
C20H5sing1.09Å1.10Å
C21H6sing1.09Å1.10Å
C21H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
O23H10sing0.97Å0.95Å
N19H11sing0.97Å1.00Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
N16H16sing1.01Å1.00Å
N16H17sing1.01Å1.00Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C15H21sing1.09Å1.10Å
C15H22sing1.09Å1.10Å
C6H23sing1.08Å1.08Å
C9H24sing1.08Å1.08Å
C8H25sing1.08Å1.08Å
N7H26sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N4C6118.3°120.8°
N4C2N7126.8°134.3°
N4C2C1123.2°118.5°
N4C6N5120.2°122.7°
N4C6H23119.9°118.7°
C2N7C8110.2°110.0°
N7C2C1110.0°107.2°
C2N7H26124.9°125.0°
N7C8C9105.6°109.8°
N7C8H25127.2°125.1°
C8N7H26124.9°125.0°
C2C1C9104.2°106.2°
C2C1C3118.2°118.7°
C6N5C3121.6°121.1°
N5C6H23119.9°118.7°
C8C9C1109.9°106.8°
C8C9H24125.0°126.6°
C9C8H25127.2°125.1°
C9C1C3137.6°135.1°
C1C9H24125.1°126.6°
C1C3N5118.5°118.3°
C1C3N10127.3°120.8°
N5C3N10114.1°120.8°
C3N10C11120.3°111.0°
C3N10C15126.0°111.0°
C11N10C15111.8°111.2°
N10C11C12103.8°109.5°
N10C11H14110.9°109.4°
N10C11H15110.9°109.5°
N10C15C14101.0°109.5°
N10C15H21111.6°109.5°
N10C15H22111.5°109.4°
C11C12C13113.4°109.3°
C11C12H12108.5°109.5°
C11C12H13108.5°109.5°
C12C11H14110.9°109.5°
C12C11H15110.9°109.4°
CL3C27C28118.4°120.0°
CL3C27C26120.1°120.0°
C15C14C13110.8°109.3°
C15C14H19109.1°109.5°
C15C14H20109.1°109.6°
C14C15H21111.5°109.5°
C14C15H22111.6°109.5°
C28C27C26121.5°120.0°
C27C28C29119.6°120.0°
C27C28H3120.2°120.0°
C27C26C25118.8°120.0°
C27C26H1120.6°120.0°
C12C13C14110.3°109.3°
C12C13C17110.9°109.5°
C12C13N16109.2°109.5°
C13C12H12108.5°109.5°
C13C12H13108.5°109.5°
C14C13C17107.9°109.5°
C14C13N16108.8°109.5°
C13C14H19109.2°109.5°
C13C14H20109.1°109.5°
C28C29C24119.5°120.0°
C29C28H3120.2°120.0°
C28C29H4120.3°120.0°
C26C25C24120.6°120.0°
C25C26H1120.6°120.1°
C26C25H2119.7°119.9°
C17C13N16109.7°109.5°
C13C17O18123.1°120.0°
C13C17N19117.0°120.0°
C13N16H16109.5°111.0°
C13N16H17109.5°111.0°
O18C17N19119.9°120.0°
C29C24C25120.0°120.0°
C29C24C20121.0°120.0°
C24C29H4120.3°120.0°
C25C24C20119.0°120.0°
C24C25H2119.7°120.0°
C17N19C20122.5°120.0°
C17N19H11118.8°120.0°
C24C20N19108.0°109.5°
C24C20C21110.9°109.4°
C24C20H5109.0°109.5°
N19C20C21110.3°109.5°
N19C20H5109.8°109.5°
C20N19H11118.8°120.0°
C20C21C22113.8°109.4°
C21C20H5108.8°109.5°
C20C21H6108.4°109.5°
C20C21H7108.4°109.5°
C21C22O23111.5°109.5°
C22C21H6108.4°109.4°
C22C21H7108.4°109.5°
C21C22H8109.0°109.4°
C21C22H9109.0°109.5°
O23C22H8109.0°109.4°
O23C22H9109.0°109.5°
C22O23H10109.5°114.0°
H6C21H7109.4°109.5°
H8C22H9109.5°109.5°
H12C12H13109.5°109.5°
H14C11H15109.5°109.5°
H16N16H17109.5°111.0°
H19C14H20109.5°109.5°
H21C15H22109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4C2N7C1180.0°179.1°
N4C2N7C8178.3°179.5°
C2N4C6N52.4°0.1°
N4C2C1C9179.9°179.6°
N4C2C1C31.0°0.5°
C2N4C6H23177.6°180.0°
N4C2N7H261.7°0.0°
C6N4C2N7179.2°179.4°
C6N4C2C10.9°0.3°
N4C6N5H23180.0°179.9°
N4C6N5C32.1°0.0°
C2N7C8H26180.0°179.5°
C2N7C8C92.7°0.2°
N7C2C1C90.1°0.3°
N7C2C1C3179.0°179.8°
C2N7C8H25177.4°179.8°
C8N7C2C11.6°0.4°
N7C8C9H25180.0°180.0°
N7C8C9C12.7°0.0°
N7C8C9H24177.2°180.0°
C2C1C9C81.8°0.2°
C2C1C9C3178.8°179.8°
C2C1C3N51.4°0.5°
C2C1C3N10176.6°179.8°
C2C1C9H24178.2°179.8°
C1C2N7H26178.4°179.1°
C6N5C3C10.1°0.3°
C6N5C3N10175.8°180.0°
C8C9C1H24180.0°180.0°
C8C9C1C3177.0°180.0°
C9C8N7H26177.3°179.2°
C9C1C3N5180.0°179.7°
C9C1C3N104.7°0.0°
C1C9C8H25177.3°180.0°
C1C3N5N10175.9°179.7°
C1C3N10C11171.7°179.7°
C1C3N10C158.9°56.1°
C3C1C9H243.0°0.1°
N5C3N10C113.7°0.0°
N5C3N10C15166.6°124.2°
C3N5C6H23177.9°180.0°
C3N10C11C15165.1°124.1°
C3N10C11C1293.4°174.1°
C3N10C15C1486.8°174.2°
C3N10C11H14147.5°65.8°
C3N10C11H1525.7°54.1°
C3N10C15H2131.9°54.1°
C3N10C15H22154.6°65.8°
N10C11C12H14119.1°120.0°
N10C11C12H15119.1°120.0°
C11N10C15C1477.3°61.7°
N10C11C12C1352.9°59.2°
N10C11C12H12173.5°179.1°
N10C11C12H1367.7°60.8°
N10C11H14H15122.6°120.0°
C11N10C15H21164.0°178.2°
C11N10C15H2241.3°58.2°
C15N10C11C1271.7°61.8°
N10C15C14H21118.6°120.1°
N10C15C14H22118.6°120.0°
N10C15C14C1363.8°59.1°
C15N10C11H1447.4°58.3°
C15N10C11H15169.2°178.2°
N10C15C14H1956.4°60.8°
N10C15C14H20176.0°179.1°
N10C15H21H22123.9°119.9°
C11C12C13H12120.6°119.9°
C11C12C13H13120.6°119.9°
C11C12C13C1446.5°57.6°
C11C12C13C1772.9°177.6°
C11C12C13N16166.0°62.4°
C11C12H12H13118.2°120.1°
C12C11H14H15122.6°120.0°
CL3C27C28C26180.0°179.7°
CL3C27C28C29179.4°180.0°
CL3C27C26C25179.9°179.9°
CL3C27C26H10.1°0.0°
CL3C27C28H30.6°0.0°
C15C14C13C1252.2°57.6°
C15C14C13H19120.2°119.9°
C15C14C13H20120.2°120.1°
C15C14C13C1769.1°177.5°
C15C14C13N16171.9°62.4°
C15C14H19H20119.4°120.2°
C14C15H21H22124.0°119.9°
C27C28C29H3180.0°179.9°
C28C27C26C250.0°0.2°
C27C28C29C240.5°0.0°
C28C27C26H1180.0°179.7°
C27C28C29H4179.5°180.0°
C26C27C28C290.6°0.3°
C27C26C25H1180.0°179.9°
C27C26C25C240.5°0.1°
C27C26C25H2179.5°180.0°
C26C27C28H3179.4°179.7°
C12C13C14C17121.3°120.0°
C12C13C14N16119.7°120.0°
C12C13C17N16120.8°120.1°
C12C13C17O187.8°24.9°
C12C13C17N19174.3°155.1°
C13C12H12H13118.2°120.1°
C13C12C11H1466.2°60.8°
C13C12C11H15172.0°179.2°
C12C13N16H16180.0°179.9°
C12C13N16H1760.0°56.1°
C12C13C14H1968.0°62.3°
C12C13C14H20172.4°177.6°
C14C13C17N16118.4°120.1°
C14C13C17O18113.1°94.9°
C14C13C17N1964.8°85.1°
C14C13C12H12167.1°177.5°
C14C13C12H1374.0°62.3°
C14C13N16H1659.6°60.1°
C14C13N16H17179.6°175.9°
C13C14H19H20119.4°120.1°
C13C14C15H21177.5°179.2°
C13C14C15H2254.8°60.9°
C28C29C24H4180.0°180.0°
C28C29C24C250.0°0.4°
C28C29C24C20179.9°180.0°
C26C25C24C290.6°0.4°
C26C25C24H2180.0°179.9°
C26C25C24C20179.4°180.0°
C13C17O18N19177.8°180.0°
C13C17N19C20178.7°180.0°
C13C17N19H111.3°0.0°
C17C13C12H1247.7°62.5°
C17C13C12H13166.5°57.6°
C17C13N16H1658.2°60.0°
C17C13N16H1761.8°64.0°
C17C13C14H19170.7°57.6°
C17C13C14H2051.1°62.4°
N16C13C17O18128.6°145.0°
N16C13C17N1953.5°35.0°
N16C13C12H1273.4°57.6°
N16C13C12H1345.4°177.7°
C13N16H16H17120.0°124.0°
N16C13C14H1951.7°177.7°
N16C13C14H2067.9°57.7°
O18C17N19C200.8°0.0°
O18C17N19H11179.3°180.0°
C29C24C25C20179.9°179.6°
C29C24C20N19121.4°39.7°
C29C24C20C21117.6°80.3°
C29C24C25H2179.4°179.7°
C24C29C28H3179.5°180.0°
C29C24C20H52.1°159.7°
C25C24C20N1958.6°140.0°
C25C24C20C2162.3°100.0°
C24C25C26H1179.5°180.0°
C25C24C29H4179.9°179.7°
C25C24C20H5177.9°19.9°
C17N19C20C2475.6°155.0°
C17N19C20H11180.0°179.9°
C17N19C20C21163.1°85.1°
C17N19C20H543.2°35.0°
C24C20N19C21121.3°119.9°
C24C20N19H5118.8°120.0°
C24C20C21H5119.9°120.0°
C24C20C21C22175.9°175.0°
C20C24C25H20.7°0.1°
C20C24C29H40.1°0.0°
C24C20C21H663.4°65.1°
C24C20C21H755.3°55.0°
C24C20N19H11104.4°24.9°
N19C20C21H5120.4°120.0°
N19C20C21C2264.4°65.0°
N19C20C21H656.2°54.9°
N19C20C21H7174.9°175.0°
C20C21C22H6120.6°120.0°
C20C21C22H7120.7°120.0°
C20C21C22O2362.8°180.0°
C20C21H6H7118.0°120.1°
C20C21C22H857.5°60.0°
C20C21C22H9176.9°60.0°
C21C20N19H1116.9°95.0°
C21C22O23H8120.3°119.9°
C21C22O23H9120.3°120.1°
C22C21C20H556.0°55.0°
C22C21H6H7118.0°120.0°
C21C22H8H9119.1°120.0°
C21C22O23H10180.0°180.0°
O23C22C21H6176.5°60.0°
O23C22C21H757.8°60.0°
O23C22H8H9119.1°120.0°
H1C26C25H20.5°0.1°
H3C28C29H40.5°0.1°
H5C20C21H6176.7°175.0°
H5C20C21H764.7°65.0°
H5C20N19H11136.8°145.0°
H6C21C22H863.2°180.0°
H6C21C22H956.2°60.0°
H7C21C22H8178.1°60.0°
H7C21C22H962.5°180.0°
H8C22O23H1059.7°60.0°
H9C22O23H1059.7°60.0°
H12C12C11H1454.4°59.1°
H12C12C11H1567.4°60.9°
H13C12C11H14173.2°179.3°
H13C12C11H1551.4°59.3°
H19C14C15H2162.3°59.3°
H19C14C15H22175.0°179.3°
H20C14C15H2157.3°60.8°
H20C14C15H2265.4°59.2°
H24C9C8H252.7°0.0°
H25C8N7H262.6°0.8°

224931

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