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OFQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCsing1.43Å1.42Å
CC1sing1.53Å1.53Å
C2C3sing1.53Å1.53Å
C2C1sing1.53Å1.55Å
C2C7sing1.53Å1.53Å
NC1sing1.47Å1.48Å
C3C4sing1.53Å1.53Å
C1C9sing1.53Å1.55Å
C7C6sing1.53Å1.53Å
C4C10sing1.53Å1.53Å
C4C5sing1.53Å1.53Å
C9C10sing1.53Å1.53Å
C9C8sing1.53Å1.53Å
C6C5sing1.53Å1.53Å
C6C8sing1.53Å1.53Å
C2H1sing1.09Å1.10Å
C3H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C6H12sing1.09Å1.10Å
C7H13sing1.09Å1.10Å
C7H14sing1.09Å1.10Å
NH15sing1.01Å1.00Å
NH17sing1.01Å1.00Å
CH18sing1.09Å1.10Å
CH19sing1.09Å1.10Å
OH20sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCC1111.8°109.5°
OCH18108.9°109.4°
OCH19108.9°109.5°
COH20109.5°114.0°
CC1C2110.5°109.5°
CC1N111.4°109.4°
CC1C9109.1°109.5°
C1CH18108.9°109.5°
C1CH19108.9°109.5°
C3C2C1110.0°109.5°
C3C2C7108.5°109.5°
C2C3C4109.9°109.5°
C3C2H1109.5°109.5°
C2C3H2109.4°109.5°
C2C3H3109.4°109.5°
C1C2C7110.1°109.5°
C2C1N109.1°109.5°
C2C1C9107.8°109.5°
C1C2H1109.3°109.5°
C2C7C6109.8°109.5°
C7C2H1109.5°109.5°
C2C7H13109.4°109.5°
C2C7H14109.4°109.5°
NC1C9108.8°109.4°
C1NH15109.5°111.0°
C1NH17109.5°111.0°
C3C4C10109.4°109.5°
C3C4C5109.5°109.5°
C4C3H2109.3°109.5°
C4C3H3109.4°109.4°
C3C4H4109.5°109.4°
C1C9C10109.9°109.4°
C1C9C8110.0°109.5°
C1C9H9109.3°109.5°
C7C6C5109.5°109.5°
C7C6C8109.5°109.5°
C7C6H12109.5°109.5°
C6C7H13109.4°109.5°
C6C7H14109.4°109.5°
C10C4C5109.5°109.5°
C4C10C9109.9°109.5°
C10C4H4109.5°109.5°
C4C10H10109.4°109.5°
C4C10H11109.4°109.5°
C4C5C6109.3°109.5°
C5C4H4109.5°109.5°
C4C5H5109.5°109.5°
C4C5H6109.5°109.5°
C10C9C8108.6°109.5°
C10C9H9109.5°109.5°
C9C10H10109.4°109.4°
C9C10H11109.4°109.4°
C9C8C6109.9°109.4°
C9C8H7109.3°109.4°
C9C8H8109.3°109.5°
C8C9H9109.5°109.5°
C5C6C8109.4°109.5°
C6C5H5109.5°109.4°
C6C5H6109.5°109.4°
C5C6H12109.4°109.5°
C6C8H7109.4°109.5°
C6C8H8109.3°109.5°
C8C6H12109.5°109.4°
H2C3H3109.5°109.5°
H5C5H6109.4°109.5°
H7C8H8109.5°109.5°
H10C10H11109.5°109.5°
H13C7H14109.5°109.4°
H15NH17109.5°110.9°
H18CH19109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCC1H18120.4°120.0°
OCC1H19120.4°120.1°
OCC1C278.7°65.0°
OCC1N42.8°55.0°
OCC1C9163.0°174.9°
OCH18H19118.9°120.0°
CC1C2C359.4°60.0°
CC1C2N122.8°120.0°
CC1C2C9119.2°120.0°
CC1C2C7178.9°180.0°
CC1NC9120.4°120.0°
CC1C9C1060.2°60.0°
CC1C9C8179.7°180.0°
CC1C2H160.8°60.0°
CC1C9H960.1°60.0°
CC1NH15180.0°60.1°
CC1NH1760.0°176.1°
C1CH18H19118.9°120.0°
C1COH20180.0°180.0°
C3C2C1C7119.5°120.0°
C3C2C1H1120.2°120.0°
C3C2C7H1119.4°120.0°
C3C2C1N177.8°180.0°
C2C3C4H2120.0°120.1°
C2C3C4H3120.1°120.0°
C3C2C1C959.8°60.0°
C3C2C7C660.0°60.0°
C2C3C4C1059.6°60.0°
C2C3C4C560.4°60.0°
C2C3H2H3119.8°120.1°
C2C3C4H4179.6°180.0°
C3C2C7H13180.0°180.0°
C3C2C7H1460.1°60.0°
C1C2C7H1120.2°120.0°
C2C1NC9117.4°120.0°
C1C2C3C460.5°60.0°
C1C2C7C660.4°60.0°
C2C1C9C1059.9°60.0°
C2C1C9C859.6°60.0°
C1C2C3H2179.5°180.0°
C1C2C3H359.6°59.9°
C2C1C9H9179.9°180.0°
C1C2C7H1359.6°60.0°
C1C2C7H14179.5°180.0°
C2C1NH1557.7°59.9°
C2C1NH17177.7°63.9°
C2C1CH1841.7°175.0°
C2C1CH19161.0°55.0°
C7C2C1N58.3°60.0°
C7C2C3C460.0°60.0°
C7C2C1C959.7°60.0°
C2C7C6H13120.0°120.0°
C2C7C6H14120.1°120.0°
C2C7C6C560.4°60.0°
C2C7C6C859.5°60.0°
C7C2C3H260.0°60.0°
C7C2C3H3179.9°180.0°
C2C7C6H12179.6°180.0°
C2C7H13H14119.9°120.0°
NC1C9C10178.1°180.0°
NC1C9C858.6°60.1°
NC1C2H162.0°60.0°
NC1C9H961.7°60.0°
C1NH15H17120.0°123.9°
NC1CH18163.2°65.0°
NC1CH1977.5°175.1°
C3C4C10C5120.0°120.0°
C3C4C10H4120.0°120.0°
C3C4C5H4120.0°120.0°
C3C4C10C959.6°60.0°
C3C4C5C659.9°60.0°
C4C3C2H1179.4°180.0°
C4C3H2H3119.8°119.9°
C3C4C5H560.1°60.0°
C3C4C5H6179.9°180.0°
C3C4C10H10179.6°179.9°
C3C4C10H1160.5°60.0°
C1C9C10C460.5°60.0°
C1C9C10C8120.3°120.0°
C1C9C10H9120.1°120.0°
C1C9C8H9120.1°120.0°
C1C9C8C660.4°60.0°
C9C1C2H1180.0°180.0°
C1C9C8H7179.5°180.0°
C1C9C8H859.6°60.0°
C1C9C10H10179.4°180.0°
C1C9C10H1159.5°60.1°
C9C1NH1559.7°180.0°
C9C1NH1760.4°56.1°
C9C1CH1876.7°54.9°
C9C1CH1942.6°65.0°
C7C6C5C460.0°60.0°
C7C6C8C959.6°60.0°
C7C6C5C8120.0°120.0°
C7C6C5H12120.0°120.0°
C7C6C8H12120.0°120.0°
C6C7C2H1179.4°180.0°
C7C6C5H560.0°60.0°
C7C6C5H6180.0°180.0°
C7C6C8H7179.7°180.0°
C7C6C8H860.4°60.0°
C6C7H13H14119.8°120.0°
C10C4C5H4120.0°120.0°
C4C10C9H10120.0°120.0°
C4C10C9H11120.1°120.1°
C4C10C9C859.8°60.0°
C10C4C5C660.1°60.0°
C10C4C3H2179.6°180.0°
C10C4C3H360.5°60.0°
C10C4C5H5179.9°180.0°
C10C4C5H659.9°60.0°
C4C10C9H9179.3°180.0°
C4C10H10H11119.8°120.1°
C5C4C10C960.4°60.0°
C4C5C6H5120.0°120.0°
C4C5C6H6120.0°120.1°
C4C5C6C860.0°60.0°
C5C4C3H259.6°60.0°
C5C4C3H3179.5°180.0°
C4C5H5H6120.1°120.1°
C5C4C10H1059.6°60.0°
C5C4C10H11179.5°180.0°
C4C5C6H12180.0°180.0°
C10C9C8H9119.6°120.0°
C10C9C8C659.9°60.0°
C9C10C4H4179.6°180.0°
C10C9C8H760.2°60.0°
C10C9C8H8179.9°180.0°
C9C10H10H11119.9°119.9°
C9C8C6C560.4°60.0°
C9C8C6H7120.0°120.0°
C9C8C6H8120.1°120.0°
C9C8H7H8119.8°120.0°
C8C9C10H1060.3°60.0°
C8C9C10H11179.8°180.0°
C9C8C6H12179.7°180.0°
C5C6C8H12119.9°120.0°
C6C5C4H4179.9°179.9°
C6C5H5H6120.1°119.9°
C5C6C8H759.6°60.0°
C5C6C8H8179.5°180.0°
C5C6C7H13179.5°180.0°
C5C6C7H1459.6°60.0°
C8C6C5H5180.0°180.0°
C8C6C5H660.0°60.0°
C6C8H7H8119.8°120.0°
C6C8C9H9179.4°180.0°
C8C6C7H1360.5°60.0°
C8C6C7H14179.6°179.9°
H1C2C3H259.4°60.0°
H1C2C3H360.5°60.0°
H1C2C7H1360.6°60.0°
H1C2C7H1459.3°60.0°
H2C3C4H460.4°59.9°
H3C3C4H459.5°60.0°
H4C4C5H559.9°60.0°
H4C4C5H660.1°60.0°
H4C4C10H1060.4°60.1°
H4C4C10H1159.5°60.0°
H5C5C6H1260.0°60.0°
H6C5C6H1260.0°59.9°
H7C8C9H959.4°60.0°
H7C8C6H1260.3°60.0°
H8C8C9H960.5°60.0°
H8C8C6H1259.6°60.0°
H9C9C10H1059.3°60.0°
H9C9C10H1160.6°59.9°
H12C6C7H1359.5°60.0°
H12C6C7H1460.4°60.0°
H18COH2059.6°60.0°
H19COH2059.7°59.9°

238582

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