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CX3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N3C4sing1.56Å1.49Å
N3PT1sing1.98Å2.04Å
C4C3sing1.54Å1.54Å
PT1N2sing2.20Å2.02Å
PT1N1sing2.02Å2.04Å
C3N2sing1.44Å1.47Å
C18C17doub1.36Å1.39ÅAromatic
C18C19sing1.39Å1.39ÅAromatic
C17C16sing1.41Å1.39ÅAromatic
N2C5sing1.47Å1.48Å
N2C2sing1.44Å1.47Å
N1C1sing1.56Å1.49Å
C5C6sing1.53Å1.53Å
C19C9doub1.39Å1.39ÅAromatic
C16C15doub1.41Å1.38ÅAromatic
C16C10sing1.41Å1.39ÅAromatic
C15C14sing1.37Å1.39ÅAromatic
C9C10sing1.41Å1.39ÅAromatic
C9C8sing1.47Å1.49Å
C10C11doub1.41Å1.39ÅAromatic
C14C13doub1.39Å1.39ÅAromatic
O1C8doub1.22Å1.25Å
C2C1sing1.54Å1.54Å
C8N4sing1.35Å1.42Å
C11C13sing1.39Å1.39ÅAromatic
C11C12sing1.47Å1.49Å
N4C12sing1.35Å1.41Å
N4C7sing1.47Å1.47Å
C12O2doub1.22Å1.25Å
C6C7sing1.53Å1.53Å
C19H1sing1.08Å1.08Å
C18H2sing1.08Å1.08Å
C17H3sing1.08Å1.08Å
C15H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C14H6sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C5H11sing1.09Å1.10Å
C5H12sing1.09Å1.10Å
C2H13sing1.09Å1.10Å
C2H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C3H17sing1.09Å1.10Å
C3H18sing1.09Å1.10Å
C4H19sing1.09Å1.10Å
C4H20sing1.09Å1.10Å
N1H21sing1.01Å1.00Å
N3H22sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4N3PT1107.7°90.4°
N3C4C3113.5°120.9°
N3C4H19108.5°107.2°
N3C4H20108.4°107.1°
C4N3H22109.9°111.0°
N3PT1N286.5°103.8°
N3PT1N1172.3°153.7°
PT1N3H22109.9°110.9°
C4C3N2110.2°129.4°
C4C3H17109.3°105.4°
C4C3H18109.3°105.3°
C3C4H19108.5°107.1°
C3C4H20108.5°107.1°
N2PT1N186.6°102.4°
PT1N2C3105.7°87.6°
PT1N2C5112.2°108.8°
PT1N2C2105.1°88.7°
PT1N1C1107.4°90.6°
PT1N1H21110.0°111.0°
C3N2C5109.7°107.4°
C3N2C2114.1°144.1°
N2C3H17109.3°105.4°
N2C3H18109.3°105.3°
C17C18C19120.4°121.6°
C18C17C16119.5°120.1°
C17C18H2119.8°119.2°
C18C17H3120.2°120.0°
C18C19C9120.1°120.1°
C18C19H1119.9°119.9°
C19C18H2119.8°119.2°
C17C16C15119.5°122.3°
C17C16C10120.4°118.9°
C16C17H3120.3°119.9°
C5N2C2110.0°107.5°
N2C5C6110.2°109.4°
N2C5H11109.3°109.5°
N2C5H12109.3°109.4°
N2C2C1110.6°129.4°
N2C2H13109.2°105.4°
N2C2H14109.2°105.3°
N1C1C2114.1°120.9°
N1C1H15108.3°107.2°
N1C1H16108.3°107.1°
C1N1H21110.0°111.0°
C5C6C7113.4°109.5°
C5C6H9108.5°109.5°
C5C6H10108.5°109.4°
C6C5H11109.3°109.5°
C6C5H12109.3°109.5°
C19C9C10119.7°119.1°
C19C9C8120.0°122.3°
C9C19H1120.0°119.9°
C15C16C10120.1°118.9°
C16C15C14119.3°120.0°
C16C15H4120.4°119.9°
C16C10C9119.9°120.3°
C16C10C11120.1°120.3°
C15C14C13121.1°121.6°
C14C15H4120.4°120.0°
C15C14H6119.4°119.1°
C10C9C8120.3°118.7°
C9C10C11120.0°119.5°
C9C8O1119.8°119.8°
C9C8N4120.0°120.4°
C10C11C13119.8°119.1°
C10C11C12120.8°118.7°
C14C13C11119.5°120.1°
C14C13H5120.2°119.9°
C13C14H6119.5°119.2°
O1C8N4120.2°119.8°
C1C2H13109.2°105.3°
C1C2H14109.2°105.3°
C2C1H15108.3°107.1°
C2C1H16108.3°107.1°
C8N4C12119.2°122.5°
C8N4C7120.3°118.8°
C13C11C12119.4°122.2°
C11C13H5120.2°120.0°
C11C12N4119.7°120.3°
C11C12O2119.7°119.8°
C12N4C7120.5°118.7°
N4C12O2120.5°119.8°
N4C7C6110.7°109.5°
N4C7H7109.2°109.4°
N4C7H8109.1°109.5°
C6C7H7109.1°109.5°
C6C7H8109.2°109.5°
C7C6H9108.5°109.4°
C7C6H10108.5°109.5°
H7C7H8109.5°109.5°
H9C6H10109.4°109.5°
H11C5H12109.5°109.5°
H13C2H14109.5°103.6°
H15C1H16109.5°106.7°
H17C3H18109.5°103.6°
H19C4H20109.4°106.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4N3PT1H22119.7°112.7°
N3C4C3H19120.6°122.9°
N3C4C3H20120.6°122.8°
C4N3PT1N210.2°24.3°
C4N3PT1N136.7°151.2°
N3C4C3N237.5°20.3°
N3C4C3H1782.6°105.2°
N3C4C3H18157.6°145.6°
N3C4H19H20118.1°114.4°
PT1N3C4C311.6°27.5°
N3PT1N2N1176.6°178.0°
N3PT1N2C330.0°16.8°
N3PT1N2C589.4°90.8°
N3PT1N2C2151.1°161.1°
N3PT1N1C140.9°151.2°
PT1N3C4H19132.3°150.5°
PT1N3C4H20109.0°95.3°
N3PT1N1H2178.8°96.0°
C4C3N2PT143.2°2.0°
C4C3N2H17120.1°125.5°
C4C3N2H18120.1°125.3°
C4C3N2C577.9°106.9°
C4C3N2C2158.2°86.4°
C4C3H17H18119.6°110.3°
C3C4H19H20118.2°114.5°
C3C4N3H22131.4°85.1°
PT1N2C3C5121.1°108.9°
PT1N2C3C2115.0°84.4°
PT1N2C5C2116.6°94.7°
N2PT1N1C114.4°24.3°
PT1N2C5C6129.1°37.0°
PT1N2C2C143.0°2.4°
PT1N2C5H11110.7°83.1°
PT1N2C5H129.0°156.9°
PT1N2C2H1377.1°123.1°
PT1N2C2H14163.2°127.8°
PT1N2C3H1776.9°127.5°
PT1N2C3H18163.3°123.3°
N2PT1N1H21105.3°88.5°
N2PT1N3H22109.5°88.4°
N1PT1N2C3153.4°161.2°
N1PT1N2C587.1°91.2°
N1PT1N2C232.4°16.8°
PT1N1C1H21119.7°112.9°
PT1N1C1C26.4°27.7°
PT1N1C1H15114.3°95.3°
PT1N1C1H16127.1°150.5°
N1PT1N3H2283.0°96.1°
C3N2C5C2126.3°171.9°
C3N2C5C6113.7°130.4°
C3N2C2C1158.4°86.4°
C3N2C5H116.4°10.3°
C3N2C5H12126.1°109.7°
C3N2C2H1338.2°39.0°
C3N2C2H1481.4°148.2°
N2C3H17H18119.7°110.4°
N2C3C4H19158.1°143.3°
N2C3C4H2083.1°102.5°
C17C18C19H2180.0°179.9°
C18C17C16H3180.0°180.0°
C17C18C19C90.8°0.1°
C18C17C16C15180.0°180.0°
C18C17C16C100.2°0.0°
C17C18C19H1179.2°180.0°
C19C18C17C160.3°0.1°
C18C19C9H1180.0°180.0°
C18C19C9C100.8°0.1°
C18C19C9C8179.6°180.0°
C19C18C17H3179.7°180.0°
C17C16C15C10179.7°180.0°
C17C16C15C14180.0°180.0°
C17C16C10C90.3°0.0°
C17C16C10C11179.8°180.0°
C16C17C18H2179.7°180.0°
C17C16C15H40.1°0.1°
N2C5C6H11120.1°120.0°
N2C5C6H12120.1°119.9°
C5N2C2C177.9°106.9°
N2C5C6C7172.0°174.5°
N2C5C6H967.5°54.5°
N2C5C6H1051.4°65.5°
N2C5H11H12119.6°120.0°
C5N2C2H13161.9°127.7°
C5N2C2H1442.3°18.5°
C5N2C3H17162.0°18.6°
C5N2C3H1842.2°127.7°
N2C2C1N133.9°20.3°
C2N2C5C612.6°57.7°
N2C2C1H13120.2°125.5°
N2C2C1H14120.2°125.4°
C2N2C5H11132.7°177.8°
C2N2C5H12107.5°62.2°
N2C2H13H14119.5°110.4°
N2C2C1H1586.8°102.7°
N2C2C1H16154.6°143.1°
C2N2C3H1738.1°148.1°
C2N2C3H1881.7°39.0°
N1C1C2H15120.7°123.0°
N1C1C2H16120.7°122.9°
N1C1C2H1386.3°145.7°
N1C1C2H14154.1°105.2°
N1C1H15H16117.9°114.4°
C5C6C7N470.6°179.9°
C5C6C7H9120.6°120.0°
C5C6C7H10120.6°120.0°
C5C6C7H749.6°60.0°
C5C6C7H8169.2°60.0°
C5C6H9H10118.2°120.0°
C6C5H11H12119.7°120.0°
C19C9C10C160.2°0.0°
C19C9C10C8179.7°180.0°
C19C9C10C11179.7°180.0°
C19C9C8O10.3°0.0°
C19C9C8N4179.7°179.8°
C9C19C18H2179.2°180.0°
C16C15C14H4180.0°179.9°
C15C16C10C9180.0°180.0°
C15C16C10C110.1°0.0°
C16C15C14C130.4°0.1°
C15C16C17H30.0°0.0°
C16C15C14H6179.6°180.0°
C10C16C15C140.2°0.1°
C16C10C9C11179.9°179.9°
C16C10C9C8179.9°180.0°
C16C10C11C130.1°0.0°
C16C10C11C12179.9°180.0°
C10C16C17H3179.7°180.0°
C10C16C15H4179.8°179.9°
C15C14C13H6180.0°179.9°
C15C14C13C110.5°0.1°
C15C14C13H5179.5°180.0°
C10C9C8O1180.0°180.0°
C10C9C8N40.1°0.2°
C9C10C11C13180.0°180.0°
C9C10C11C120.1°0.1°
C10C9C19H1179.2°180.0°
C8C9C10C110.0°0.0°
C9C8O1N4180.0°179.8°
C9C8N4C120.1°0.5°
C9C8N4C7179.7°179.8°
C8C9C19H10.4°0.0°
C10C11C13C140.3°0.0°
C10C11C13C12180.0°179.9°
C10C11C12N40.1°0.2°
C10C11C12O2180.0°180.0°
C10C11C13H5179.7°180.0°
C14C13C11H5180.0°180.0°
C14C13C11C12179.7°179.9°
C13C14C15H4179.6°180.0°
O1C8N4C12179.9°179.7°
O1C8N4C70.3°0.0°
C1C2H13H14119.5°110.3°
C2C1H15H16117.9°114.4°
C2C1N1H21126.1°85.2°
C8N4C12C110.2°0.5°
C8N4C12C7179.8°179.7°
C8N4C12O2180.0°179.7°
C8N4C7C6142.8°89.7°
C8N4C7H722.6°30.2°
C8N4C7H897.1°150.2°
C13C11C12N4179.9°179.8°
C13C11C12O20.0°0.1°
C11C13C14H6179.5°180.0°
C11C12N4O2179.9°179.8°
C11C12N4C7179.7°179.8°
C12C11C13H50.4°0.0°
C12N4C7C637.1°90.0°
C12N4C7H7157.2°150.0°
C12N4C7H883.1°30.0°
C7N4C12O20.2°0.0°
N4C7C6H7120.2°119.9°
N4C7C6H8120.2°120.0°
N4C7H7H8119.4°120.0°
N4C7C6H949.9°60.0°
N4C7C6H10168.8°60.0°
C6C7H7H8119.4°120.0°
C7C6H9H10118.2°120.0°
C7C6C5H1151.9°65.4°
C7C6C5H1267.9°54.6°
H1C19C18H20.8°0.0°
H2C18C17H30.3°0.1°
H4C15C14H60.4°0.1°
H5C13C14H60.5°0.1°
H7C7C6H9170.1°179.9°
H7C7C6H1071.1°60.0°
H8C7C6H970.2°60.0°
H8C7C6H1048.6°180.0°
H9C6C5H11172.4°174.6°
H9C6C5H1252.6°65.4°
H10C6C5H1168.7°54.6°
H10C6C5H12171.5°174.6°
H13C2C1H15153.1°22.7°
H13C2C1H1634.4°91.4°
H14C2C1H1533.4°131.8°
H14C2C1H1685.2°17.7°
H15C1N1H215.4°151.8°
H16C1N1H21113.2°37.7°
H17C3C4H1938.0°17.7°
H17C3C4H20156.8°132.0°
H18C3C4H1981.7°91.4°
H18C3C4H2037.0°22.8°
H19C4N3H22108.0°37.8°
H20C4N3H2210.8°152.0°

222415

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