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VI1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C5doub1.22Å1.23Å
C18C19sing1.52Å1.53Å
C18C15sing1.52Å1.58Å
C6O1sing1.45Å1.44Å
C19C20sing1.52Å1.50Å
C15C2sing1.52Å1.46Å
C5O1sing1.35Å1.37Å
C5C3sing1.46Å1.39Å
C20C17sing1.53Å1.50Å
O5C14doub1.21Å1.25Å
C2C3sing1.47Å1.40ÅAromatic
C2C1doub1.33Å1.38ÅAromatic
C3C4doub1.36Å1.37ÅAromatic
O4C14sing1.34Å1.25Å
C14C13sing1.51Å1.54Å
C17C16sing1.53Å1.53Å
C4N1sing1.39Å1.35Å
C4S1sing1.70Å1.74ÅAromatic
C1C16sing1.52Å1.40Å
C1S1sing1.76Å1.69ÅAromatic
N1C7sing1.35Å1.35Å
C13C12sing1.53Å1.53Å
C13C8sing1.53Å1.54Å
C12C11sing1.53Å1.49Å
C7C8sing1.51Å1.56Å
C7O3doub1.21Å1.23Å
C8C9sing1.53Å1.55Å
C11C10sing1.53Å1.50Å
C9C10sing1.53Å1.54Å
C6H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C10H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
O4H18sing0.97Å0.95Å
C13H19sing1.09Å1.10Å
C9H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
C8H22sing1.09Å1.10Å
N1H23sing0.97Å1.00Å
C17H24sing1.09Å1.10Å
C17H25sing1.09Å1.10Å
C15H26sing1.09Å1.10Å
C15H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C5O1120.5°120.0°
O2C5C3123.6°120.0°
C19C18C15108.7°111.8°
C18C19C20117.5°113.5°
C19C18H12109.6°109.0°
C19C18H13109.7°109.0°
C18C19H14107.4°108.7°
C18C19H15107.4°108.7°
C18C15C2107.0°112.7°
C15C18H12109.7°109.0°
C15C18H13109.7°109.0°
C18C15H26110.1°108.8°
C18C15H27110.1°108.9°
C6O1C5117.9°117.0°
O1C6H1109.5°109.5°
O1C6H2109.4°109.4°
O1C6H3109.5°109.5°
C19C20C17116.5°105.6°
C20C19H14107.4°108.7°
C20C19H15107.4°108.6°
C19C20H16107.7°110.1°
C19C20H17107.7°110.2°
C15C2C3128.9°118.9°
C15C2C1119.1°129.5°
C2C15H26110.1°108.8°
C2C15H27110.1°108.8°
O1C5C3115.9°120.0°
C5C3C2125.1°123.1°
C5C3C4121.1°123.1°
C20C17C16116.0°108.7°
C17C20H16107.7°110.3°
C17C20H17107.7°110.2°
C20C17H24107.8°109.6°
C20C17H25107.8°109.6°
O5C14O4125.4°120.0°
O5C14C13117.1°120.0°
C3C2C1112.0°111.5°
C2C3C4113.9°113.9°
C2C1C16124.0°126.2°
C2C1S1112.3°111.3°
C3C4N1127.1°124.7°
C3C4S1110.0°110.5°
O4C14C13117.5°120.0°
C14O4H18109.5°117.0°
C14C13C12109.0°109.5°
C14C13C8111.9°109.5°
C14C13H19108.8°109.4°
C17C16C1106.9°108.0°
C17C16H10110.1°109.8°
C17C16H11110.1°109.8°
C16C17H24107.8°109.5°
C16C17H25107.9°109.6°
N1C4S1122.9°124.8°
C4N1C7123.5°120.0°
C4N1H23118.3°120.0°
C4S1C191.9°92.7°
C16C1S1123.7°122.4°
C1C16H10110.1°109.7°
C1C16H11110.1°109.7°
N1C7C8115.1°120.0°
N1C7O3123.7°119.9°
C7N1H23118.2°119.9°
C12C13C8109.4°109.5°
C13C12C11110.1°109.5°
C13C12H8109.3°109.4°
C13C12H9109.3°109.5°
C12C13H19108.9°109.5°
C13C8C7112.5°109.4°
C13C8C9108.8°109.4°
C8C13H19108.8°109.5°
C13C8H22108.1°109.5°
C12C11C10108.6°109.5°
C12C11H6109.7°109.5°
C12C11H7109.7°109.5°
C11C12H8109.3°109.5°
C11C12H9109.3°109.5°
C8C7O3120.9°120.0°
C7C8C9111.5°109.5°
C7C8H22107.9°109.5°
C8C9C10110.1°109.5°
C8C9H20109.3°109.4°
C8C9H21109.3°109.5°
C9C8H22107.9°109.5°
C11C10C9107.0°109.5°
C11C10H4110.1°109.5°
C11C10H5110.1°109.5°
C10C11H6109.7°109.4°
C10C11H7109.7°109.4°
C9C10H4110.1°109.4°
C9C10H5110.1°109.4°
C10C9H20109.3°109.4°
C10C9H21109.3°109.5°
H1C6H2109.5°109.4°
H1C6H3109.4°109.5°
H2C6H3109.5°109.5°
H4C10H5109.4°109.5°
H6C11H7109.5°109.5°
H8C12H9109.5°109.5°
H10C16H11109.4°109.8°
H12C18H13109.5°108.9°
H14C19H15109.5°108.6°
H16C20H17109.5°110.3°
H20C9H21109.4°109.5°
H24C17H25109.4°109.7°
H26C15H27109.5°108.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C5O1C61.6°0.1°
O2C5O1C3177.4°179.9°
O2C5C3C24.1°90.0°
O2C5C3C4175.3°90.0°
C19C18C15H12119.8°120.6°
C19C18C15H13119.9°120.6°
C18C19C20H14121.2°121.0°
C18C19C20H15121.1°121.0°
C19C18C15C285.1°79.5°
C18C19C20C17100.0°82.8°
C19C18H12H13120.3°118.8°
C18C19H14H15116.4°118.1°
C18C19C20H1621.0°36.2°
C18C19C20H17139.0°158.1°
C19C18C15H2634.5°41.3°
C19C18C15H27155.3°159.7°
C15C18C19C2080.0°38.8°
C18C15C2H26119.6°120.8°
C18C15C2H27119.6°120.8°
C18C15C2C388.1°174.7°
C18C15C2C191.2°0.7°
C15C18H12H13120.4°118.9°
C15C18C19H14158.8°82.2°
C15C18C19H1541.1°159.8°
C18C15H26H27121.2°118.4°
C6O1C5C3179.1°180.0°
O1C6H1H2120.0°120.0°
O1C6H1H3120.0°120.0°
O1C6H2H3120.0°120.0°
C19C20C17H16121.0°118.9°
C19C20C17H17121.0°119.0°
C19C20C17C1644.8°62.7°
C20C19C18H12160.1°81.8°
C20C19C18H1339.9°159.4°
C20C19H14H15116.4°118.0°
C19C20H16H17116.8°121.9°
C19C20C17H24165.7°57.0°
C19C20C17H2576.2°177.5°
C15C2C3C51.2°6.6°
C15C2C3C1179.3°176.3°
C15C2C3C4178.3°173.4°
C15C2C1C160.7°8.3°
C15C2C1S1179.6°172.2°
C2C15C18H12155.1°41.1°
C2C15C18H1334.8°160.0°
C2C15H26H27121.1°118.4°
O1C5C3C2173.2°90.1°
O1C5C3C47.3°89.9°
C5O1C6H1180.0°59.9°
C5O1C6H260.0°60.0°
C5O1C6H360.0°180.0°
C5C3C2C4179.5°180.0°
C5C3C2C1179.6°177.2°
C5C3C4N10.1°0.7°
C5C3C4S1178.9°179.3°
C20C17C16H24120.9°119.8°
C20C17C16H25121.0°119.8°
C20C17C16C156.4°54.1°
C20C17C16H10176.0°65.5°
C20C17C16H1163.3°173.7°
C17C20C19H14138.8°156.1°
C17C20C19H1521.1°38.2°
C17C20H16H17116.8°122.0°
C20C17H24H25117.0°120.4°
O5C14O4C13177.7°180.0°
O5C14C13C1278.1°120.0°
O5C14C13C842.9°0.0°
O5C14O4H180.0°0.0°
O5C14C13H19163.2°120.1°
C2C3C4N1179.6°179.3°
C2C3C4S11.6°0.7°
C3C2C1C16178.7°176.0°
C3C2C1S10.2°3.5°
C3C2C15H26152.3°64.5°
C3C2C15H2731.6°53.9°
C1C2C3C40.9°2.8°
C2C1C16C1797.3°77.3°
C2C1S1C41.0°2.8°
C2C1C16S1178.8°179.4°
C2C1C16H10143.1°42.3°
C2C1C16H1122.3°163.0°
C1C2C15H2628.5°120.1°
C1C2C15H27149.2°121.6°
C3C4N1S1178.6°180.0°
C3C4S1C11.5°1.1°
C3C4N1C7179.5°180.0°
C3C4N1H230.5°0.0°
O4C14C13C1299.7°60.0°
O4C14C13C8139.2°180.0°
O4C14C13H1918.9°60.0°
C14C13C12C8122.6°120.0°
C14C13C12H19118.6°120.0°
C14C13C8H19120.2°120.0°
C14C13C12C11177.0°180.0°
C14C13C8C759.3°60.0°
C14C13C8C9176.7°180.0°
C14C13C12H862.9°60.0°
C14C13C12H956.9°60.0°
C13C14O4H18177.6°179.9°
C14C13C8H2259.7°60.0°
C17C16C1H10119.6°119.6°
C17C16C1H11119.6°119.7°
C17C16C1S181.5°102.1°
C17C16H10H11121.2°120.8°
C16C17C20H1676.3°56.2°
C16C17C20H17165.8°178.3°
C16C17H24H25117.1°120.3°
N1C4S1C1179.7°178.9°
C4N1C7H23180.0°180.0°
C4N1C7C8177.1°180.0°
C4N1C7O33.7°0.1°
C4S1C1C16177.9°176.7°
S1C4N1C70.9°0.0°
S1C4N1H23179.1°180.0°
C1C16H10H11121.2°120.7°
C1C16C17H2464.6°173.9°
C1C16C17H25177.3°65.7°
S1C1C16H1038.1°138.3°
S1C1C16H11158.9°17.5°
N1C7C8C1387.1°180.0°
N1C7C8O3173.7°179.9°
N1C7C8C9150.3°60.0°
N1C7C8H2232.0°60.0°
C12C13C8H19118.9°120.0°
C13C12C11H8120.1°120.0°
C13C12C11H9120.1°120.0°
C12C13C8C7179.8°180.0°
C12C13C8C955.8°60.0°
C13C12C11C1065.4°60.0°
C13C12C11H6174.8°59.9°
C13C12C11H754.5°180.0°
C13C12H8H9119.7°120.0°
C12C13C8H2261.1°60.0°
C8C13C12C1160.4°60.0°
C13C8C7C9122.5°120.0°
C13C8C7H22119.1°120.0°
C13C8C7O399.2°0.0°
C13C8C9H22117.1°120.0°
C13C8C9C1057.7°60.0°
C8C13C12H859.7°180.0°
C8C13C12H9179.5°60.0°
C13C8C9H2062.4°180.0°
C13C8C9H21177.8°60.0°
C12C11C10H6119.9°120.0°
C12C11C10H7119.9°120.0°
C12C11C10C964.9°60.0°
C12C11C10H454.7°60.0°
C12C11C10H5175.4°180.0°
C12C11H6H7120.4°120.1°
C11C12H8H9119.7°120.0°
C11C12C13H1958.4°60.0°
C7C8C9H22118.3°120.1°
C7C8C9C10177.7°180.0°
C7C8C13H1960.9°60.0°
C7C8C9H2062.2°60.1°
C7C8C9H2157.6°60.0°
C8C7N1H232.8°0.0°
O3C7C8C923.3°119.9°
O3C7C8H22141.7°120.0°
O3C7N1H23176.3°180.0°
C8C9C10C1161.8°60.0°
C8C9C10H20120.1°120.0°
C8C9C10H21120.1°120.0°
C8C9C10H457.8°60.0°
C8C9C10H5178.5°180.0°
C9C8C13H1963.1°60.0°
C8C9H20H21119.7°120.0°
C11C10C9H4119.6°120.0°
C11C10C9H5119.6°120.0°
C11C10H4H5121.1°120.0°
C10C11H6H7120.4°119.9°
C10C11C12H854.7°180.0°
C10C11C12H9174.6°60.0°
C11C10C9H2058.3°180.0°
C11C10C9H21178.1°60.0°
C9C10H4H5121.1°120.0°
C9C10C11H6175.2°60.0°
C9C10C11H755.0°180.0°
C10C9H20H21119.7°120.0°
C10C9C8H2259.4°59.9°
H1C6H2H3119.9°120.0°
H4C10C11H665.2°180.0°
H4C10C11H7174.6°60.0°
H4C10C9H20177.9°60.0°
H4C10C9H2162.3°180.0°
H5C10C11H655.6°60.0°
H5C10C11H764.7°60.0°
H5C10C9H2061.3°60.0°
H5C10C9H2158.4°60.0°
H6C11C12H865.1°60.0°
H6C11C12H954.7°179.9°
H7C11C12H8174.6°60.1°
H7C11C12H965.6°60.0°
H8C12C13H19178.5°60.0°
H9C12C13H1961.6°180.0°
H10C16C17H2455.0°54.3°
H10C16C17H2563.1°174.7°
H11C16C17H24175.8°66.5°
H11C16C17H2557.7°53.9°
H12C18C19H1439.0°157.2°
H12C18C19H1578.7°39.3°
H12C18C15H2685.3°161.9°
H12C18C15H2735.4°79.7°
H13C18C19H1481.3°38.4°
H13C18C19H15161.0°79.5°
H13C18C15H26154.4°79.3°
H13C18C15H2784.8°39.1°
H14C19C20H16100.2°84.8°
H14C19C20H1717.8°37.1°
H15C19C20H16142.1°157.2°
H15C19C20H1799.9°80.8°
H16C20C17H2444.7°175.9°
H16C20C17H25162.7°63.6°
H17C20C17H2473.3°62.0°
H17C20C17H2544.8°58.5°
H19C13C8H22180.0°180.0°
H20C9C8H22179.5°60.0°
H21C9C8H2260.8°179.9°

221051

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