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WAD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C3sing1.53Å1.53Å
C2C1sing1.53Å1.53Å
C3C4sing1.53Å1.53Å
C4C5sing1.53Å1.54Å
C5C6sing1.53Å1.52Å
O2Cdoub1.21Å1.27Å
OCsing1.34Å1.26Å
C6CD1sing1.53Å1.53Å
CCAsing1.51Å1.51Å
CACBsing1.53Å1.54Å
CD1CE1sing1.53Å1.53Å
CBC15sing1.53Å1.53Å
CE1CZsing1.53Å1.53Å
C15C14sing1.53Å1.53Å
CZCE2sing1.53Å1.53Å
CZOHsing1.43Å1.42Å
CD2CE2sing1.53Å1.53Å
CD2C12sing1.53Å1.53Å
C14C13sing1.53Å1.52Å
C13C12sing1.53Å1.54Å
C4H9sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C5H10sing1.09Å1.10Å
C5H11sing1.09Å1.10Å
C6H13sing1.09Å1.10Å
C6H12sing1.09Å1.10Å
C13H25sing1.09Å1.10Å
C13H26sing1.09Å1.10Å
C15H30sing1.09Å1.10Å
C15H29sing1.09Å1.10Å
CAH34sing1.09Å1.10Å
CAH33sing1.09Å1.10Å
OH36sing0.97Å0.95Å
CBH32sing1.09Å1.10Å
CBH31sing1.09Å1.10Å
CD1H14sing1.09Å1.10Å
CD1H15sing1.09Å1.10Å
CD2H22sing1.09Å1.10Å
CD2H21sing1.09Å1.10Å
CE1H16sing1.09Å1.10Å
CE1H17sing1.09Å1.10Å
CE2H20sing1.09Å1.10Å
CE2H19sing1.09Å1.10Å
CZH18sing1.09Å1.10Å
OHH35sing0.97Å0.95Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C12H24sing1.09Å1.10Å
C12H23sing1.09Å1.10Å
C14H27sing1.09Å1.10Å
C14H28sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C2C1113.9°109.5°
C2C3C4114.1°109.4°
C3C2H4108.4°109.5°
C3C2H5108.4°109.4°
C2C3H7108.3°109.5°
C2C3H6108.3°109.4°
C2C1H3109.5°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C1C2H4108.3°109.5°
C1C2H5108.4°109.5°
C3C4C5112.7°109.4°
C3C4H9108.7°109.5°
C3C4H8108.7°109.5°
C4C3H7108.3°109.5°
C4C3H6108.3°109.5°
C4C5C6110.6°109.4°
C5C4H9108.7°109.4°
C5C4H8108.6°109.5°
C4C5H10109.2°109.4°
C4C5H11109.2°109.5°
C5C6CD1112.2°109.4°
C6C5H10109.2°109.5°
C6C5H11109.2°109.5°
C5C6H13108.8°109.5°
C5C6H12108.8°109.5°
O2CO122.1°120.0°
O2CCA119.7°120.0°
OCCA118.2°120.0°
COH36109.5°117.0°
C6CD1CE1107.9°109.5°
CD1C6H13108.8°109.5°
CD1C6H12108.8°109.4°
C6CD1H14109.9°109.4°
C6CD1H15109.8°109.5°
CCACB108.8°109.5°
CCAH34109.7°109.5°
CCAH33109.6°109.5°
CACBC15110.5°109.5°
CBCAH34109.6°109.4°
CBCAH33109.6°109.5°
CACBH32109.2°109.5°
CACBH31109.2°109.5°
CD1CE1CZ113.4°109.5°
CE1CD1H14109.9°109.5°
CE1CD1H15109.9°109.5°
CD1CE1H16108.5°109.5°
CD1CE1H17108.5°109.5°
CBC15C14109.5°109.5°
CBC15H30109.5°109.5°
CBC15H29109.4°109.4°
C15CBH32109.2°109.5°
C15CBH31109.2°109.5°
CE1CZCE2112.1°109.5°
CE1CZOH110.5°109.5°
CZCE1H16108.5°109.4°
CZCE1H17108.5°109.5°
CE1CZH18107.0°109.4°
C15C14C13112.6°109.5°
C14C15H30109.5°109.5°
C14C15H29109.5°109.5°
C15C14H27108.7°109.5°
C15C14H28108.7°109.5°
CE2CZOH111.6°109.5°
CZCE2CD2114.8°109.5°
CZCE2H20108.1°109.5°
CZCE2H19108.1°109.4°
CE2CZH18107.0°109.5°
OHCZH18108.4°109.4°
CZOHH35109.5°114.0°
CE2CD2C12109.8°109.5°
CE2CD2H22109.4°109.5°
CE2CD2H21109.4°109.5°
CD2CE2H20108.1°109.5°
CD2CE2H19108.1°109.5°
CD2C12C13116.1°109.5°
C12CD2H22109.4°109.5°
C12CD2H21109.4°109.5°
CD2C12H24107.8°109.5°
CD2C12H23107.8°109.4°
C14C13C12110.3°109.5°
C14C13H25109.2°109.5°
C14C13H26109.2°109.5°
C13C14H27108.7°109.5°
C13C14H28108.7°109.5°
C12C13H25109.3°109.5°
C12C13H26109.3°109.5°
C13C12H24107.8°109.5°
C13C12H23107.8°109.5°
H9C4H8109.4°109.4°
H10C5H11109.4°109.5°
H13C6H12109.5°109.4°
H25C13H26109.5°109.4°
H30C15H29109.5°109.5°
H34CAH33109.5°109.5°
H32CBH31109.5°109.4°
H14CD1H15109.5°109.5°
H22CD2H21109.5°109.4°
H16CE1H17109.5°109.4°
H20CE2H19109.5°109.5°
H3C1H1109.4°109.5°
H3C1H2109.5°109.5°
H1C1H2109.5°109.4°
H24C12H23109.5°109.5°
H27C14H28109.5°109.4°
H4C2H5109.5°109.4°
H7C3H6109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C2C1H4120.6°120.0°
C3C2C1H5120.7°120.0°
C2C3C4H7120.7°120.0°
C2C3C4H6120.7°120.0°
C2C3C4C5168.7°180.0°
C2C3C4H948.2°60.0°
C2C3C4H870.8°60.0°
C3C2C1H3180.0°60.0°
C3C2C1H160.0°60.0°
C3C2C1H260.0°180.0°
C3C2H4H5118.0°119.9°
C2C3H7H6117.9°120.0°
C1C2C3C415.6°180.0°
C2C1H3H1120.0°120.0°
C2C1H3H2120.0°120.0°
C2C1H1H2120.0°119.9°
C1C2H4H5118.0°120.1°
C1C2C3H7105.1°60.0°
C1C2C3H6136.3°60.0°
C3C4C5H9120.5°120.0°
C3C4C5H8120.5°120.1°
C3C4C5C6126.6°180.0°
C3C4H9H8118.5°120.1°
C3C4C5H106.5°60.0°
C3C4C5H11113.2°60.0°
C4C3C2H4105.1°59.9°
C4C3C2H5136.2°60.0°
C4C3H7H6117.9°120.1°
C4C5C6H10120.2°120.0°
C4C5C6H11120.2°120.0°
C4C5C6CD1142.6°180.0°
C5C4H9H8118.5°120.0°
C4C5H10H11119.5°120.0°
C4C5C6H1322.2°60.0°
C4C5C6H1297.0°60.0°
C5C4C3H770.7°60.0°
C5C4C3H648.0°60.0°
C5C6CD1H13120.4°120.1°
C5C6CD1H12120.4°120.0°
C5C6CD1CE192.9°180.0°
C6C5C4H9112.8°60.0°
C6C5C4H86.1°59.9°
C6C5H10H11119.4°120.0°
C5C6H13H12118.7°120.1°
C5C6CD1H14147.3°60.0°
C5C6CD1H1526.8°60.0°
O2COCA179.2°180.0°
O2CCACB43.0°0.0°
O2CCAH34162.9°120.0°
O2CCAH3376.9°120.0°
O2COH360.0°0.1°
OCCACB136.2°180.0°
OCCAH3416.3°60.1°
OCCAH33103.9°60.0°
C6CD1CE1H14119.8°120.0°
C6CD1CE1H15119.7°120.0°
C6CD1CE1CZ174.9°180.0°
CD1C6C5H1097.2°60.0°
CD1C6C5H1122.4°60.0°
CD1C6H13H12118.7°119.9°
C6CD1H14H15120.7°120.0°
C6CD1CE1H1654.4°60.0°
C6CD1CE1H1764.5°60.0°
CCACBH34119.9°120.0°
CCACBH33119.9°120.0°
CCACBC15156.2°180.0°
CCAH34H33120.3°120.0°
CACOH36179.2°180.0°
CCACBH3283.7°60.0°
CCACBH3136.0°60.0°
CACBC15H32120.1°120.0°
CACBC15H31120.2°120.0°
CACBC15C14111.6°180.0°
CACBC15H308.5°60.0°
CACBC15H29128.4°60.0°
CBCAH34H33120.3°120.0°
CACBH32H31119.6°120.0°
CD1CE1CZH16120.6°120.0°
CD1CE1CZH17120.6°120.1°
CD1CE1CZCE267.3°175.0°
CD1CE1CZOH167.4°65.0°
CE1CD1C6H1327.5°60.0°
CE1CD1C6H12146.7°60.0°
CE1CD1H14H15120.7°120.0°
CD1CE1H16H17118.2°120.0°
CD1CE1CZH1849.7°55.0°
CBC15C14H30120.0°120.0°
CBC15C14H29120.0°120.0°
CBC15C14C1362.0°180.0°
CBC15H30H29120.0°120.0°
C15CBCAH3436.3°60.0°
C15CBCAH3383.9°60.0°
C15CBH32H31119.5°120.0°
CBC15C14H2758.5°60.0°
CBC15C14H28177.6°60.0°
CE1CZCE2OH124.6°120.0°
CE1CZCE2H18117.0°120.0°
CE1CZOHH18116.9°119.9°
CE1CZCE2CD256.9°175.0°
CZCE1CD1H1465.3°60.1°
CZCE1CD1H1555.2°60.0°
CZCE1H16H17118.2°120.0°
CE1CZCE2H2063.8°55.0°
CE1CZCE2H19177.7°65.0°
CE1CZOHH35180.0°60.0°
C15C14C13H27120.5°120.0°
C15C14C13H28120.4°120.0°
C15C14C13C12137.5°NaN°
C15C14C13H25102.4°60.0°
C15C14C13H2617.3°60.0°
C14C15H30H29120.0°120.0°
C14C15CBH32128.3°60.0°
C14C15CBH318.6°60.0°
C15C14H27H28118.6°120.0°
CE2CZOHH18117.5°120.0°
CZCE2CD2H20120.8°120.0°
CZCE2CD2H19120.8°120.0°
CZCE2CD2C12133.0°NaN°
CZCE2CD2H2212.9°59.9°
CZCE2CD2H21107.0°60.0°
CE2CZCE1H16172.1°65.0°
CE2CZCE1H1753.3°54.9°
CZCE2H20H19117.6°120.0°
CE2CZOHH3554.5°60.1°
OHCZCE2CD267.7°65.0°
OHCZCE1H1646.9°55.0°
OHCZCE1H1772.0°174.9°
OHCZCE2H20171.5°175.0°
OHCZCE2H1953.1°55.0°
CE2CD2C12H22120.0°120.0°
CE2CD2C12H21120.1°120.0°
CE2CD2C12C13160.1°NaN°
CE2CD2H22H21119.9°120.0°
CD2CE2H20H19117.6°120.0°
CD2CE2CZH18173.9°55.0°
CE2CD2C12H2439.2°60.0°
CE2CD2C12H2378.9°60.0°
CD2C12C13C1460.4°NaN°
CD2C12C13H24121.0°120.0°
CD2C12C13H23120.9°120.0°
CD2C12C13H25179.4°60.0°
CD2C12C13H2659.7°60.0°
C12CD2H22H21119.8°120.0°
C12CD2CE2H20106.3°60.0°
C12CD2CE2H1912.2°60.0°
CD2C12H24H23117.0°120.0°
C14C13C12H25120.1°120.0°
C14C13C12H26120.1°120.0°
C14C13H25H26119.6°120.0°
C13C14C15H30178.0°60.0°
C13C14C15H2958.0°60.0°
C14C13C12H24178.6°60.0°
C14C13C12H2360.5°60.0°
C13C14H27H28118.6°120.0°
C12C13H25H26119.6°120.0°
C13C12CD2H2279.8°60.0°
C13C12CD2H2140.1°60.0°
C13C12H24H23117.0°120.0°
C12C13C14H2717.0°60.0°
C12C13C14H28102.1°60.0°
H9C4C5H10127.0°60.0°
H9C4C5H117.3°179.9°
H9C4C3H7168.8°180.0°
H9C4C3H672.5°59.9°
H8C4C5H10114.0°180.0°
H8C4C5H11126.3°60.0°
H8C4C3H749.8°60.0°
H8C4C3H6168.5°180.0°
H10C5C6H13142.4°180.0°
H10C5C6H1223.2°59.9°
H11C5C6H1398.0°60.0°
H11C5C6H12142.8°180.0°
H13C6CD1H1492.3°180.0°
H13C6CD1H15147.2°60.0°
H12C6CD1H1426.9°60.0°
H12C6CD1H1593.6°179.9°
H25C13C12H2458.5°60.1°
H25C13C12H2359.6°180.0°
H25C13C14H27137.2°180.0°
H25C13C14H2818.1°60.1°
H26C13C12H2461.3°180.0°
H26C13C12H23179.4°60.0°
H26C13C14H27103.1°60.1°
H26C13C14H28137.8°180.0°
H30C15CBH32111.7°60.0°
H30C15CBH31128.6°180.0°
H30C15C14H2761.6°60.1°
H30C15C14H2857.5°180.0°
H29C15CBH328.3°180.0°
H29C15CBH31111.4°60.0°
H29C15C14H27178.5°180.0°
H29C15C14H2862.4°60.0°
H34CACBH32156.4°60.0°
H34CACBH3183.9°179.9°
H33CACBH3236.2°180.0°
H33CACBH31155.9°60.0°
H14CD1CE1H16174.1°180.0°
H14CD1CE1H1755.3°60.0°
H15CD1CE1H1665.4°60.0°
H15CD1CE1H17175.8°179.9°
H22CD2CE2H20133.7°60.1°
H22CD2CE2H19107.9°179.9°
H22CD2C12H24159.2°60.0°
H22CD2C12H2341.1°180.0°
H21CD2CE2H2013.8°180.0°
H21CD2CE2H19132.2°60.0°
H21CD2C12H2480.9°180.0°
H21CD2C12H23161.0°60.0°
H16CE1CZH1870.9°175.0°
H17CE1CZH18170.3°65.1°
H20CE2CZH1853.2°65.0°
H19CE2CZH1865.3°175.0°
H18CZOHH3563.0°179.9°
H3C1H1H2120.0°120.0°
H3C1C2H459.4°60.0°
H3C1C2H559.3°180.0°
H1C1C2H4179.3°180.0°
H1C1C2H560.7°59.9°
H2C1C2H460.6°60.0°
H2C1C2H5179.3°60.0°
H4C2C3H7134.3°60.0°
H4C2C3H615.6°180.0°
H5C2C3H715.6°179.9°
H5C2C3H6103.1°60.0°

222926

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