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SQI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.51Å
C2C3sing1.53Å1.51Å
C3C4sing1.53Å1.51Å
C4C5sing1.53Å1.51Å
C5C6sing1.53Å1.51Å
C6C7sing1.53Å1.51Å
C7C8sing1.53Å1.51Å
C8C9sing1.53Å1.51Å
C9C10sing1.53Å1.51Å
C10C11sing1.53Å1.51Å
C11C12sing1.53Å1.51Å
C12C13sing1.53Å1.51Å
C13C14sing1.53Å1.51Å
C14C15sing1.53Å1.51Å
C15C16sing1.53Å1.51Å
C16Nsing1.47Å1.48Å
NH1sing1.01Å1.00Å
NH2sing1.01Å1.00Å
C1H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3H23sing1.09Å1.10Å
C3H24sing1.09Å1.10Å
C4H25sing1.09Å1.10Å
C4H26sing1.09Å1.10Å
C5H27sing1.09Å1.10Å
C5H28sing1.09Å1.10Å
C6H29sing1.09Å1.10Å
C6H30sing1.09Å1.10Å
C7H31sing1.09Å1.10Å
C7H32sing1.09Å1.10Å
C8H33sing1.09Å1.10Å
C8H34sing1.09Å1.10Å
C9H35sing1.09Å1.10Å
C9H36sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3113.9°109.5°
C2C1H4109.5°109.4°
C2C1H5109.4°109.5°
C2C1H6109.4°109.5°
C1C2H21108.3°109.4°
C1C2H22108.3°109.5°
C2C3C4114.3°109.5°
C3C2H21108.4°109.5°
C3C2H22108.4°109.5°
C2C3H23108.3°109.4°
C2C3H24108.3°109.4°
C3C4C5114.3°109.5°
C4C3H23108.3°109.5°
C4C3H24108.2°109.5°
C3C4H25108.2°109.5°
C3C4H26108.2°109.4°
C4C5C6114.5°109.5°
C5C4H25108.3°109.5°
C5C4H26108.2°109.5°
C4C5H27108.2°109.5°
C4C5H28108.2°109.5°
C5C6C7114.1°109.5°
C6C5H27108.2°109.4°
C6C5H28108.2°109.5°
C5C6H29108.3°109.5°
C5C6H30108.3°109.5°
C6C7C8114.4°109.5°
C7C6H29108.3°109.5°
C7C6H30108.3°109.5°
C6C7H31108.2°109.4°
C6C7H32108.2°109.4°
C7C8C9114.4°109.5°
C8C7H31108.3°109.5°
C8C7H32108.2°109.5°
C7C8H33108.2°109.4°
C7C8H34108.2°109.4°
C8C9C10114.1°109.5°
C9C8H33108.2°109.5°
C9C8H34108.2°109.5°
C8C9H35108.3°109.5°
C8C9H36108.3°109.5°
C9C10C11114.7°109.5°
C9C10H7108.2°109.5°
C9C10H8108.1°109.4°
C10C9H35108.3°109.5°
C10C9H36108.3°109.4°
C10C11C12114.2°109.5°
C11C10H7108.1°109.4°
C11C10H8108.1°109.5°
C10C11H9108.3°109.4°
C10C11H10108.3°109.4°
C11C12C13114.4°109.5°
C12C11H9108.3°109.5°
C12C11H10108.3°109.5°
C11C12H11108.2°109.5°
C11C12H12108.2°109.4°
C12C13C14114.6°109.5°
C13C12H11108.2°109.5°
C13C12H12108.3°109.5°
C12C13H13108.2°109.5°
C12C13H14108.2°109.5°
C13C14C15113.4°109.5°
C14C13H13108.2°109.4°
C14C13H14108.2°109.5°
C13C14H15108.5°109.5°
C13C14H16108.5°109.5°
C14C15C16113.3°109.5°
C15C14H15108.5°109.5°
C15C14H16108.5°109.4°
C14C15H17108.5°109.5°
C14C15H18108.5°109.4°
C15C16N111.7°109.5°
C16C15H17108.5°109.5°
C16C15H18108.5°109.5°
C15C16H19108.9°109.4°
C15C16H20108.9°109.5°
C16NH1109.5°111.1°
C16NH2109.4°111.0°
NC16H19108.9°109.6°
NC16H20108.9°109.5°
H1NH2109.5°111.0°
H4C1H5109.5°109.5°
H4C1H6109.5°109.5°
H5C1H6109.5°109.5°
H7C10H8109.5°109.5°
H9C11H10109.5°109.5°
H11C12H12109.5°109.4°
H13C13H14109.4°109.5°
H15C14H16109.5°109.4°
H17C15H18109.5°109.5°
H19C16H20109.5°109.4°
H21C2H22109.5°109.5°
H23C3H24109.5°109.5°
H25C4H26109.5°109.4°
H27C5H28109.5°109.5°
H29C6H30109.5°109.4°
H31C7H32109.5°109.5°
H33C8H34109.5°109.5°
H35C9H36109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H21120.6°120.0°
C1C2C3H22120.6°120.0°
C1C2C3C4178.1°180.0°
C2C1H4H5120.0°120.0°
C2C1H4H6120.0°120.0°
C2C1H5H6120.0°120.0°
C1C2H21H22117.9°120.0°
C1C2C3H2361.2°60.0°
C1C2C3H2457.4°60.0°
C2C3C4H23120.7°120.0°
C2C3C4H24120.7°120.0°
C2C3C4C5177.3°180.0°
C3C2C1H4180.0°60.0°
C3C2C1H560.0°60.0°
C3C2C1H660.0°180.0°
C3C2H21H22118.0°120.0°
C2C3H23H24117.8°119.9°
C2C3C4H2556.6°60.0°
C2C3C4H2662.0°59.9°
C3C4C5H25120.7°120.0°
C3C4C5H26120.7°120.0°
C3C4C5C664.7°180.0°
C4C3C2H2157.5°60.0°
C4C3C2H2261.3°60.0°
C4C3H23H24117.8°120.0°
C3C4H25H26117.8°119.9°
C3C4C5H2756.1°60.0°
C3C4C5H28174.6°60.0°
C4C5C6H27120.7°120.0°
C4C5C6H28120.7°120.0°
C4C5C6C7176.6°180.0°
C5C4C3H2362.0°60.0°
C5C4C3H2456.6°60.0°
C5C4H25H26117.8°120.0°
C4C5H27H28117.7°120.0°
C4C5C6H2962.7°60.0°
C4C5C6H3055.9°60.0°
C5C6C7H29120.7°120.0°
C5C6C7H30120.7°120.0°
C5C6C7C8177.2°180.0°
C6C5C4H25174.6°60.0°
C6C5C4H2656.0°60.0°
C6C5H27H28117.7°120.0°
C5C6H29H30117.9°120.0°
C5C6C7H3162.1°60.0°
C5C6C7H3256.4°60.0°
C6C7C8H31120.7°120.0°
C6C7C8H32120.7°120.0°
C6C7C8C9176.4°180.0°
C7C6C5H2755.8°60.0°
C7C6C5H2862.7°60.0°
C7C6H29H30117.9°120.0°
C6C7H31H32117.7°120.0°
C6C7C8H3362.9°60.0°
C6C7C8H3455.7°60.0°
C7C8C9H33120.7°120.0°
C7C8C9H34120.7°120.0°
C7C8C9C10178.5°180.0°
C8C7C6H2956.5°60.0°
C8C7C6H3062.2°60.0°
C8C7H31H32117.8°120.0°
C7C8H33H34117.8°119.9°
C7C8C9H3560.8°60.0°
C7C8C9H3657.9°60.0°
C8C9C10H35120.7°120.0°
C8C9C10H36120.7°120.0°
C8C9C10C11175.2°180.0°
C8C9C10H764.0°60.0°
C8C9C10H854.5°60.0°
C9C8C7H3155.7°60.0°
C9C8C7H3262.9°60.0°
C9C8H33H34117.8°120.1°
C8C9H35H36117.9°120.0°
C9C10C11H7120.8°120.0°
C9C10C11H8120.8°120.0°
C9C10C11C1260.3°180.0°
C9C10H7H8117.6°120.0°
C9C10C11H960.4°60.0°
C9C10C11H10179.0°60.0°
C10C9C8H3357.8°60.0°
C10C9C8H3460.8°60.0°
C10C9H35H36117.9°120.0°
C10C11C12H9120.7°120.0°
C10C11C12H10120.7°120.0°
C10C11C12C13170.0°180.0°
C11C10H7H8117.6°120.0°
C10C11H9H10117.8°120.0°
C10C11C12H1149.3°60.0°
C10C11C12H1269.2°59.9°
C11C10C9H3554.6°60.0°
C11C10C9H3664.1°60.0°
C11C12C13H11120.7°120.0°
C11C12C13H12120.7°120.0°
C11C12C13C1459.2°180.0°
C12C11C10H7178.9°60.0°
C12C11C10H860.4°60.0°
C12C11H9H10117.8°120.0°
C11C12H11H12117.7°119.9°
C11C12C13H1361.6°60.0°
C11C12C13H14180.0°60.0°
C12C13C14H13120.8°120.0°
C12C13C14H14120.8°120.0°
C12C13C14C15179.5°180.0°
C13C12C11H969.3°60.0°
C13C12C11H1049.3°60.0°
C13C12H11H12117.8°120.0°
C12C13H13H14117.7°120.0°
C12C13C14H1559.9°59.9°
C12C13C14H1658.9°60.0°
C13C14C15H15120.6°120.1°
C13C14C15H16120.6°120.0°
C13C14C15C16179.9°180.0°
C14C13C12H11179.9°60.0°
C14C13C12H1261.5°60.0°
C14C13H13H14117.7°120.0°
C13C14H15H16118.2°120.0°
C13C14C15H1759.3°59.9°
C13C14C15H1859.5°60.0°
C14C15C16H17120.6°120.0°
C14C15C16H18120.6°119.9°
C14C15C16N179.7°179.9°
C15C14C13H1358.7°60.0°
C15C14C13H1459.8°60.1°
C15C14H15H16118.2°119.9°
C14C15H17H18118.3°119.9°
C14C15C16H1959.9°60.0°
C14C15C16H2059.4°59.9°
C15C16NH19120.4°120.0°
C15C16NH20120.3°120.0°
C15C16NH1180.0°56.0°
C15C16NH260.0°179.9°
C16C15C14H1559.5°59.9°
C16C15C14H1659.3°60.0°
C16C15H17H18118.3°120.0°
C15C16H19H20119.0°119.9°
C16NH1H2120.0°124.0°
NC16C15H1759.1°60.0°
NC16C15H1859.7°60.0°
NC16H19H20118.9°120.0°
H1NC16H1959.7°176.0°
H1NC16H2059.7°64.0°
H2NC16H19179.7°59.9°
H2NC16H2060.4°60.1°
H4C1H5H6120.0°120.0°
H4C1C2H2159.3°60.0°
H4C1C2H2259.3°180.0°
H5C1C2H2160.7°180.0°
H5C1C2H22179.3°60.0°
H6C1C2H21179.4°60.0°
H6C1C2H2260.7°60.0°
H7C10C11H960.4°60.0°
H7C10C11H1058.2°180.0°
H7C10C9H35175.3°180.0°
H7C10C9H3656.7°60.0°
H8C10C11H9178.9°180.0°
H8C10C11H1060.3°60.0°
H8C10C9H3566.2°60.0°
H8C10C9H36175.1°NaN°
H9C11C12H11170.0°179.9°
H9C11C12H1251.4°60.0°
H10C11C12H1171.4°60.0°
H10C11C12H12170.1°179.9°
H11C12C13H1359.1°180.0°
H11C12C13H1459.3°60.0°
H12C12C13H13177.7°60.0°
H12C12C13H1459.3°180.0°
H13C13C14H15179.3°179.9°
H13C13C14H1661.9°60.0°
H14C13C14H1560.8°60.0°
H14C13C14H16179.7°180.0°
H15C14C15H17179.9°180.0°
H15C14C15H1861.1°60.0°
H16C14C15H1761.3°60.1°
H16C14C15H18179.9°180.0°
H17C15C16H19179.5°60.0°
H17C15C16H2061.2°180.0°
H18C15C16H1960.7°179.9°
H18C15C16H20180.0°60.0°
H21C2C3H23178.2°179.9°
H21C2C3H2463.2°60.0°
H22C2C3H2359.4°60.1°
H22C2C3H24178.0°180.0°
H23C3C4H25177.3°180.0°
H23C3C4H2658.7°60.0°
H24C3C4H2564.1°60.0°
H24C3C4H26177.3°179.9°
H25C4C5H2764.6°180.0°
H25C4C5H2853.9°60.0°
H26C4C5H27176.8°60.0°
H26C4C5H2864.7°180.0°
H27C5C6H29176.5°180.0°
H27C5C6H3064.8°60.0°
H28C5C6H2958.0°60.0°
H28C5C6H30176.6°180.0°
H29C6C7H31177.2°180.0°
H29C6C7H3264.3°60.0°
H30C6C7H3158.6°60.1°
H30C6C7H32177.1°180.0°
H31C7C8H33176.4°180.0°
H31C7C8H3465.1°60.0°
H32C7C8H3357.8°60.0°
H32C7C8H34176.4°180.0°
H33C8C9H35178.5°60.0°
H33C8C9H3662.9°180.0°
H34C8C9H3559.9°180.0°
H34C8C9H36178.6°59.9°

225158

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