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TEC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.43Å1.30Å
O5C1sing1.43Å1.45Å
O5C5sing1.43Å1.40Å
C1C2sing1.53Å1.50Å
C6O6sing1.45Å1.41Å
C6C5sing1.53Å1.55Å
O6CAMsing1.34Å1.34Å
CANCAMsing1.51Å1.51Å
CANCAOsing1.53Å1.48Å
C5C4sing1.53Å1.48Å
CAPCAOsing1.53Å1.49Å
CAPCAQsing1.53Å1.49Å
CAMOAWdoub1.21Å1.21Å
C2N2sing1.47Å1.45Å
C2C3sing1.53Å1.46Å
CARCAQsing1.53Å1.48Å
CARCASsing1.53Å1.50Å
C4C3sing1.53Å1.51Å
C4O4sing1.43Å1.30Å
C3O3sing1.43Å1.32Å
CASCATsing1.53Å1.50Å
CATCAUsing1.53Å1.51Å
CAVCAUsing1.53Å1.51Å
CAVH1sing1.09Å1.10Å
CAVH2sing1.09Å1.10Å
CAVH3sing1.09Å1.10Å
CAUH4sing1.09Å1.10Å
CAUH5sing1.09Å1.10Å
CATH6sing1.09Å1.10Å
CATH7sing1.09Å1.10Å
CASH8sing1.09Å1.10Å
CASH9sing1.09Å1.10Å
CARH10sing1.09Å1.10Å
CARH11sing1.09Å1.10Å
CAQH12sing1.09Å1.10Å
CAQH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CAPH15sing1.09Å1.10Å
CAOH16sing1.09Å1.10Å
CAOH17sing1.09Å1.10Å
CANH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
C6H20sing1.09Å1.10Å
C6H21sing1.09Å1.10Å
C5H22sing1.09Å1.10Å
C1H23sing1.09Å1.10Å
O1H24sing0.97Å0.95Å
C2H25sing1.09Å1.10Å
N2H26sing1.01Å1.00Å
N2H27sing1.01Å1.00Å
C3H29sing1.09Å1.10Å
O3H30sing0.97Å0.95Å
C4H31sing1.09Å1.10Å
O4H32sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1O5119.1°109.5°
O1C1C2110.7°109.5°
O1C1H23107.8°109.5°
C1O1H24109.5°114.0°
C1O5C599.3°114.1°
O5C1C2107.1°109.4°
O5C1H23105.9°109.5°
O5C5C6112.5°109.5°
O5C5C4104.1°109.4°
O5C5H22110.8°109.4°
C1C2N2107.9°109.6°
C1C2C3101.1°109.2°
C2C1H23105.4°109.5°
C1C2H25112.4°109.6°
O6C6C5112.1°109.5°
C6O6CAM120.8°117.0°
O6C6H20108.8°109.4°
O6C6H21108.8°109.4°
C6C5C4111.1°109.5°
C5C6H20108.8°109.5°
C5C6H21108.8°109.5°
C6C5H22108.7°109.5°
O6CAMCAN113.4°120.0°
O6CAMOAW124.9°120.0°
CAMCANCAO111.6°109.5°
CANCAMOAW121.4°120.0°
CAMCANH18109.0°109.5°
CAMCANH19108.9°109.5°
CANCAOCAP111.5°109.5°
CANCAOH16108.9°109.5°
CANCAOH17108.9°109.5°
CAOCANH18108.9°109.5°
CAOCANH19109.0°109.5°
C5C4C3108.7°109.2°
C5C4O4105.7°109.5°
C4C5H22109.6°109.5°
C5C4H31110.5°109.6°
CAOCAPCAQ106.0°109.5°
CAOCAPH14110.3°109.5°
CAOCAPH15110.4°109.5°
CAPCAOH16109.0°109.5°
CAPCAOH17109.0°109.5°
CAPCAQCAR113.4°109.5°
CAPCAQH12108.5°109.4°
CAPCAQH13108.5°109.5°
CAQCAPH14110.4°109.4°
CAQCAPH15110.3°109.4°
N2C2C3108.2°109.5°
N2C2H25113.2°109.5°
C2N2H26109.5°111.0°
C2N2H27109.4°111.0°
C2C3C4115.9°109.0°
C2C3O398.5°109.5°
C3C2H25113.2°109.5°
C2C3H29110.7°109.6°
CAQCARCAS107.4°109.5°
CAQCARH10110.0°109.5°
CAQCARH11110.0°109.5°
CARCAQH12108.5°109.5°
CARCAQH13108.5°109.5°
CARCASCAT109.4°109.5°
CARCASH8109.5°109.5°
CARCASH9109.5°109.5°
CASCARH10110.0°109.5°
CASCARH11110.0°109.5°
C3C4O4108.2°109.5°
C4C3O3108.6°109.6°
C4C3H29109.9°109.6°
C3C4H31110.1°109.5°
O4C4H31113.4°109.6°
C4O4H32109.5°114.1°
O3C3H29112.8°109.5°
C3O3H30109.5°114.0°
CASCATCAU112.0°109.5°
CASCATH6108.8°109.4°
CASCATH7108.8°109.5°
CATCASH8109.5°109.5°
CATCASH9109.5°109.5°
CATCAUCAV112.8°109.5°
CATCAUH4108.6°109.5°
CATCAUH5108.6°109.5°
CAUCATH6108.9°109.5°
CAUCATH7108.8°109.5°
CAUCAVH1109.5°109.5°
CAUCAVH2109.4°109.5°
CAUCAVH3109.5°109.5°
CAVCAUH4108.6°109.5°
CAVCAUH5108.6°109.5°
H1CAVH2109.5°109.5°
H1CAVH3109.5°109.4°
H2CAVH3109.5°109.5°
H4CAUH5109.5°109.5°
H6CATH7109.5°109.5°
H8CASH9109.5°109.5°
H10CARH11109.5°109.5°
H12CAQH13109.5°109.5°
H14CAPH15109.4°109.5°
H16CAOH17109.5°109.5°
H18CANH19109.4°109.5°
H20C6H21109.5°109.5°
H26N2H27109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O5C2126.4°120.0°
O1C1O5H23121.5°120.0°
O1C1O5C5148.3°178.9°
O1C1C2H23116.3°120.0°
O1C1C2N248.3°62.5°
O1C1C2C3161.8°177.6°
O1C1C2H2577.2°57.7°
O5C1C2H23112.4°120.0°
C1O5C5C6161.9°178.8°
C1O5C5C477.7°61.1°
O5C1C2N2179.6°177.5°
O5C1C2C367.0°57.6°
C1O5C5H2240.1°58.9°
O5C1O1H24180.0°60.0°
O5C1C2H2554.0°62.4°
C5O5C1C285.2°61.1°
O5C5C6O6130.9°65.1°
O5C5C6C4116.2°120.0°
O5C5C6H22123.1°119.9°
O5C5C4H22118.6°119.9°
O5C5C4C361.4°57.6°
O5C5C4O4177.4°177.5°
O5C5C6H2010.5°55.0°
O5C5C6H21108.7°175.0°
C5O5C1H2326.9°58.8°
O5C5C4H3159.5°62.3°
C1C2N2C3108.7°119.7°
C1C2N2H25125.0°120.2°
C1C2C3H25120.4°120.0°
C1C2C3C449.7°57.0°
C1C2C3O3165.3°176.8°
C2C1O1H2455.3°179.9°
C1C2N2H26180.0°60.0°
C1C2N2H2760.0°176.0°
C1C2C3H2976.3°63.0°
O6C6C5H20120.4°120.0°
O6C6C5H21120.4°120.0°
C6O6CAMCAN130.1°180.0°
O6C6C5C4112.9°175.0°
C6O6CAMOAW56.4°0.0°
O6C6H20H21118.8°119.9°
O6C6C5H227.8°54.9°
C5C6O6CAM115.4°180.0°
C6C5C4H22120.1°120.1°
C6C5C4C3177.3°177.6°
C6C5C4O461.3°62.5°
C5C6H20H21118.8°120.0°
C6C5C4H3161.8°57.7°
O6CAMCANOAW173.8°180.0°
O6CAMCANCAO167.8°180.0°
O6CAMCANH1871.9°60.0°
O6CAMCANH1947.4°60.0°
CAMO6C6H20124.2°59.9°
CAMO6C6H215.0°60.0°
CAMCANCAOH18120.3°120.0°
CAMCANCAOH19120.3°120.0°
CAMCANCAOCAP168.8°180.0°
CAMCANCAOH1670.9°60.0°
CAMCANCAOH1748.5°60.0°
CAMCANH18H19119.0°120.0°
CANCAOCAPH16120.3°120.0°
CANCAOCAPH17120.3°120.0°
CANCAOCAPCAQ152.4°180.0°
CAOCANCAMOAW6.1°0.0°
CANCAOCAPH1488.1°60.0°
CANCAOCAPH1532.9°60.0°
CANCAOH16H17119.0°120.0°
CAOCANH18H19119.1°120.0°
C5C4C3C249.6°57.0°
C5C4C3O4114.3°119.9°
C5C4C3H31121.2°119.9°
C5C4O4H31121.2°120.2°
C5C4C3O3159.3°176.8°
C4C5C6H20126.7°65.0°
C4C5C6H217.5°55.0°
C5C4C3H2976.8°63.0°
C5C4O4H3230.6°179.9°
CAOCAPCAQH14119.5°120.0°
CAOCAPCAQH15119.5°120.1°
CAOCAPCAQCAR162.6°180.0°
CAOCAPCAQH1276.8°60.0°
CAOCAPCAQH1342.1°60.0°
CAOCAPH14H15121.6°120.0°
CAPCAOH16H17119.1°120.0°
CAPCAOCANH1848.4°60.0°
CAPCAOCANH1970.9°60.0°
CAPCAQCARH12120.6°120.0°
CAPCAQCARH13120.6°120.0°
CAPCAQCARCAS179.1°180.0°
CAPCAQCARH1061.3°60.0°
CAPCAQCARH1159.4°60.0°
CAPCAQH12H13118.2°120.0°
CAQCAPH14H15121.6°119.9°
CAQCAPCAOH1632.1°60.0°
CAQCAPCAOH1787.3°60.0°
OAWCAMCANH18114.3°120.0°
OAWCAMCANH19126.4°120.0°
N2C2C3H25126.3°120.1°
N2C2C3C4163.0°176.9°
N2C2C3O381.5°63.2°
N2C2C1H2368.0°57.5°
C2N2H26H27120.0°124.0°
N2C2C3H2937.0°57.0°
C2C3C4O3109.7°119.8°
C2C3C4H29126.4°119.9°
C2C3C4O4164.0°176.9°
C2C3O3H29116.8°120.2°
C3C2C1H2345.5°62.4°
C3C2N2H2671.4°179.7°
C3C2N2H2748.7°56.3°
C2C3O3H30180.0°60.1°
C2C3C4H3171.6°63.0°
CAQCARCASH10119.7°120.0°
CAQCARCASH11119.7°120.0°
CAQCARCASCAT108.2°180.0°
CAQCARCASH8131.8°60.0°
CAQCARCASH911.8°60.0°
CAQCARH10H11121.0°120.0°
CARCAQH12H13118.2°120.0°
CARCAQCAPH1443.2°60.0°
CARCAQCAPH1577.9°60.0°
CARCASCATH8120.0°120.0°
CARCASCATH9120.0°120.0°
CARCASCATCAU155.8°180.0°
CARCASCATH635.3°60.0°
CARCASCATH783.9°60.0°
CARCASH8H9120.0°120.0°
CASCARH10H11121.0°120.0°
CASCARCAQH1258.5°60.0°
CASCARCAQH1360.4°60.0°
C3C4O4H31122.4°120.1°
C4C3O3H29122.1°120.3°
C3C4C5H2257.2°62.4°
C4C3C2H2570.7°63.0°
C4C3O3H3058.9°179.6°
C3C4O4H32146.9°60.4°
O4C4C3O386.3°63.3°
O4C4C5H2258.8°57.6°
O4C4C3H2937.6°57.0°
O3C3C2H2544.8°56.9°
O3C3C4H3138.2°56.9°
CASCATCAUH6120.4°120.0°
CASCATCAUH7120.4°120.0°
CASCATCAUCAV44.0°180.0°
CASCATCAUH476.4°60.0°
CASCATCAUH5164.6°60.0°
CASCATH6H7118.8°119.9°
CATCASH8H9120.1°120.0°
CATCASCARH1011.5°60.0°
CATCASCARH11132.1°60.0°
CATCAUCAVH4120.5°120.0°
CATCAUCAVH5120.5°120.0°
CATCAUCAVH1180.0°60.0°
CATCAUCAVH260.0°60.0°
CATCAUCAVH360.0°180.0°
CATCAUH4H5118.5°120.0°
CAUCATH6H7118.9°120.0°
CAUCATCASH884.3°60.0°
CAUCATCASH935.8°60.0°
CAUCAVH1H2120.0°120.0°
CAUCAVH1H3120.0°120.0°
CAUCAVH2H3120.0°120.0°
CAVCAUH4H5118.5°120.0°
CAVCAUCATH6164.4°60.0°
CAVCAUCATH776.3°60.0°
H1CAVH2H3120.0°120.0°
H1CAVCAUH459.5°60.0°
H1CAVCAUH559.5°NaN°
H2CAVCAUH4179.5°180.0°
H2CAVCAUH560.5°60.0°
H3CAVCAUH460.5°59.9°
H3CAVCAUH5179.5°60.1°
H4CAUCATH644.0°180.0°
H4CAUCATH7163.2°60.0°
H5CAUCATH675.1°60.0°
H5CAUCATH744.2°180.0°
H6CATCASH8155.3°180.0°
H6CATCASH984.6°60.1°
H7CATCASH836.1°60.0°
H7CATCASH9156.1°180.0°
H8CASCARH10108.5°180.0°
H8CASCARH1112.2°60.0°
H9CASCARH10131.5°60.0°
H9CASCARH11107.9°180.0°
H10CARCAQH12178.1°180.0°
H10CARCAQH1359.3°60.0°
H11CARCAQH1261.2°60.0°
H11CARCAQH13179.9°180.0°
H12CAQCAPH14163.8°180.0°
H12CAQCAPH1542.7°60.1°
H13CAQCAPH1477.4°60.0°
H13CAQCAPH15161.5°180.0°
H14CAPCAOH16151.6°NaN°
H14CAPCAOH1732.2°60.0°
H15CAPCAOH1687.4°60.0°
H15CAPCAOH17153.2°180.0°
H16CAOCANH18168.8°NaN°
H16CAOCANH1949.4°60.0°
H17CAOCANH1871.9°60.0°
H17CAOCANH19168.8°180.0°
H20C6C5H22112.6°174.9°
H21C6C5H22128.2°65.1°
H22C5C4H31178.1°177.8°
H23C1O1H2459.5°60.1°
H23C1C2H25166.5°177.7°
H25C2N2H2655.0°60.2°
H25C2N2H27175.0°63.8°
H25C2C3H29163.3°177.0°
H29C3O3H3063.2°60.1°
H29C3C4H31162.1°177.1°
H31C4O4H3290.7°59.7°

224931

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