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Obsolete: CRC

CRC was replaced with DKA on
Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.34Å1.33Å
O1HO1sing0.97Å0.95Å
C1O2doub1.21Å1.21Å
C1C2sing1.51Å1.52Å
C2C3sing1.53Å1.53Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
C3C4sing1.53Å1.51Å
C3H31sing1.09Å1.11Å
C3H32sing1.09Å1.11Å
C4C5sing1.53Å1.52Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.11Å
C5C6sing1.53Å1.52Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.11Å
C6C7sing1.53Å1.51Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.12Å
C7C8sing1.53Å1.51Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.11Å
C8C9sing1.53Å1.51Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
C9C10sing1.53Å1.53Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.11Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
C10H103sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1O1HO1124.7°120.0°
O1C1O2124.7°120.0°
O1C1C2111.0°120.1°
O2C1C2124.1°119.9°
C1C2C3106.8°109.5°
C1C2H21113.2°109.5°
C1C2H22113.2°109.5°
C3C2H21113.2°109.5°
C3C2H22113.2°109.4°
C2C3C4113.4°109.5°
C2C3H31110.8°109.5°
C2C3H32110.8°109.5°
H21C2H2297.2°109.5°
C4C3H31110.8°109.4°
C4C3H32110.8°109.4°
C3C4C5113.0°109.5°
C3C4H41110.9°109.5°
C3C4H42110.9°109.5°
H31C3H3299.6°109.4°
C5C4H41110.9°109.4°
C5C4H42110.9°109.4°
C4C5C6112.7°109.5°
C4C5H51111.0°109.4°
C4C5H52111.0°109.4°
H41C4H4299.4°109.5°
C6C5H51111.0°109.5°
C6C5H52111.0°109.5°
C5C6C7114.0°109.5°
C5C6H61110.5°109.4°
C5C6H62110.5°109.4°
H51C5H5299.4°109.5°
C7C6H61110.6°109.5°
C7C6H62110.6°109.5°
C6C7C8112.1°109.5°
C6C7H71111.2°109.5°
C6C7H72111.2°109.5°
H61C6H6299.7°109.4°
C8C7H71111.2°109.5°
C8C7H72111.2°109.5°
C7C8C9113.3°109.5°
C7C8H81110.8°109.5°
C7C8H82110.8°109.5°
H71C7H7299.2°109.4°
C9C8H81110.8°109.4°
C9C8H82110.8°109.4°
C8C9C10114.1°109.5°
C8C9H91110.5°109.5°
C8C9H92110.5°109.5°
H81C8H8299.5°109.5°
C10C9H91110.5°109.4°
C10C9H92110.5°109.4°
C9C10H101114.2°109.6°
C9C10H102110.5°109.5°
C9C10H103110.5°109.5°
H91C9H9299.8°109.5°
H101C10H102110.5°109.4°
H101C10H103110.5°109.4°
H102C10H10399.7°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O2C2173.9°180.0°
O1C1C2C3161.3°180.0°
O1C1C2H2136.0°60.0°
O1C1C2H2273.5°60.0°
HO1O1C1O2180.0°0.0°
HO1O1C1C25.4°180.0°
O2C1C2C313.4°0.0°
O2C1C2H21138.7°120.0°
O2C1C2H22111.9°120.0°
C1C2C3H21125.3°120.0°
C1C2C3H22125.3°120.0°
C1C2H21H22119.1°120.0°
C1C2C3C4179.5°180.0°
C1C2C3H3155.3°60.0°
C1C2C3H3254.2°60.0°
C3C2H21H22119.1°119.9°
C2C3C4H31125.2°120.0°
C2C3C4H32125.3°120.0°
C2C3H31H32116.7°120.0°
C2C3C4C5147.2°180.0°
C2C3C4H4121.9°60.0°
C2C3C4H4287.5°60.0°
H21C2C3C454.2°60.0°
H21C2C3H31179.4°180.0°
H21C2C3H3271.1°60.0°
H22C2C3C455.3°60.0°
H22C2C3H3169.9°60.0°
H22C2C3H32179.5°180.0°
C4C3H31H32116.6°119.9°
C3C4C5H41125.3°120.0°
C3C4C5H42125.3°120.0°
C3C4H41H42116.7°120.0°
C3C4C5C6149.5°180.0°
C3C4C5H5185.3°60.0°
C3C4C5H5224.3°60.0°
H31C3C4C587.6°60.0°
H31C3C4H41147.1°179.9°
H31C3C4H4237.7°60.0°
H32C3C4C521.9°60.0°
H32C3C4H41103.4°60.0°
H32C3C4H42147.2°179.9°
C5C4H41H42116.8°120.0°
C4C5C6H51125.2°120.0°
C4C5C6H52125.3°120.0°
C4C5H51H52116.9°120.0°
C4C5C6C7178.0°180.0°
C4C5C6H6152.7°60.0°
C4C5C6H6256.7°60.0°
H41C4C5C624.2°60.0°
H41C4C5H51149.5°NaN°
H41C4C5H52101.0°60.0°
H42C4C5C685.2°60.0°
H42C4C5H5140.0°60.0°
H42C4C5H52149.5°NaN°
C6C5H51H52116.9°120.0°
C5C6C7H61125.3°120.0°
C5C6C7H62125.3°120.0°
C5C6H61H62116.4°119.9°
C5C6C7C8178.7°180.0°
C5C6C7H7156.1°60.0°
C5C6C7H7253.4°60.0°
H51C5C6C756.8°60.0°
H51C5C6H61177.9°179.9°
H51C5C6H6268.5°60.0°
H52C5C6C752.8°60.0°
H52C5C6H6172.5°60.0°
H52C5C6H62178.1°179.9°
C7C6H61H62116.4°120.0°
C6C7C8H71125.2°120.0°
C6C7C8H72125.2°120.0°
C6C7H71H72117.1°119.9°
C6C7C8C9120.7°180.0°
C6C7C8H814.6°60.0°
C6C7C8H82114.0°60.0°
H61C6C7C853.4°60.0°
H61C6C7H71178.6°180.0°
H61C6C7H7271.9°60.0°
H62C6C7C856.1°60.0°
H62C6C7H7169.2°60.0°
H62C6C7H72178.7°180.0°
C8C7H71H72117.1°120.0°
C7C8C9H81125.3°120.0°
C7C8C9H82125.3°120.0°
C7C8H81H82116.6°120.0°
C7C8C9C10165.1°180.0°
C7C8C9H9139.8°60.0°
C7C8C9H9269.6°60.0°
H71C7C8C9114.1°60.0°
H71C7C8H81120.6°180.0°
H71C7C8H8211.2°60.0°
H72C7C8C94.5°60.0°
H72C7C8H81129.8°60.0°
H72C7C8H82120.8°180.0°
C9C8H81H82116.7°120.0°
C8C9C10H91125.3°120.0°
C8C9C10H92125.2°120.0°
C8C9H91H92116.3°120.1°
C8C9C10H101180.0°180.0°
C8C9C10H10254.7°60.0°
C8C9C10H10354.7°60.0°
H81C8C9C1069.6°60.0°
H81C8C9H91165.1°180.0°
H81C8C9H9255.6°59.9°
H82C8C9C1039.8°60.0°
H82C8C9H9185.4°59.9°
H82C8C9H92165.1°180.0°
C10C9H91H92116.4°119.9°
C9C10H101H102125.3°120.1°
C9C10H101H103125.3°120.1°
C9C10H102H103116.3°120.0°
H91C9C10H10154.8°60.0°
H91C9C10H102180.0°60.0°
H91C9C10H10370.6°180.0°
H92C9C10H10154.7°60.0°
H92C9C10H10270.5°180.0°
H92C9C10H103179.9°60.0°
H101C10H102H103116.4°119.9°

223166

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