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037

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCdoub1.21Å1.23Å
CCAsing1.51Å1.52Å
CDNsing1.48Å1.49Å
NCAsing1.48Å1.48Å
CBCAsing1.54Å1.53Å
CAHAsing1.09Å1.10Å
CGCBsing1.55Å1.54Å
CBCBEsing1.55Å1.52Å
CBHB2sing1.09Å1.10Å
CDCGsing1.55Å1.55Å
CGCD2sing1.54Å1.53Å
CGHG2sing1.09Å1.10Å
CBFCBEsing1.55Å1.53Å
CBEHBEsing1.09Å1.10Å
CBEHBEAsing1.09Å1.10Å
CD2CBFsing1.54Å1.54Å
CBFHBFsing1.09Å1.10Å
CBFHBFAsing1.09Å1.10Å
CDHD2sing1.09Å1.10Å
CDHD3sing1.09Å1.10Å
CD2H1sing1.09Å1.10Å
CD2HD2Asing1.09Å1.10Å
COXTsing1.34Å21.16Å
OXTHXTsing0.97Å0.00Å
NHsing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCCA118.9°120.0°
OCOXT39.9°120.0°
CCAN108.2°109.9°
CCACB111.0°109.9°
CCAHA108.3°109.9°
CACOXT149.9°120.0°
CDNCA110.7°105.8°
NCDCG105.9°103.5°
NCDHD2110.7°110.7°
NCDHD3110.7°110.6°
CDNH109.1°111.0°
NCACB106.4°107.1°
NCAHA112.8°109.9°
CANH109.1°111.0°
CBCAHA110.1°110.0°
CACBCG105.7°105.0°
CACBCBE112.7°108.6°
CACBHB2109.0°112.5°
CGCBCBE106.6°104.2°
CGCBHB2114.8°113.2°
CBCGCD106.3°103.0°
CBCGCD2104.5°106.6°
CBCGHG2115.6°112.4°
CBECBHB2108.1°112.6°
CBCBECBF103.7°103.2°
CBCBEHBE111.4°110.7°
CBCBEHBEA111.5°110.6°
CDCGCD2112.4°109.2°
CDCGHG2108.2°112.8°
CGCDHD2110.7°110.6°
CGCDHD3110.7°110.6°
CD2CGHG2109.8°112.2°
CGCD2CBF108.0°106.7°
CGCD2H1110.0°110.0°
CGCD2HD2A109.9°110.0°
CBFCBEHBE111.4°110.7°
CBFCBEHBEA111.5°110.8°
CBECBFCD2103.8°104.2°
CBECBFHBF111.4°110.5°
CBECBFHBFA111.4°110.5°
HBECBEHBEA107.4°110.6°
CD2CBFHBF111.4°110.5°
CD2CBFHBFA111.4°110.6°
CBFCD2H1109.9°110.0°
CBFCD2HD2A110.0°110.1°
HBFCBFHBFA107.5°110.4°
HD2CDHD3108.2°110.7°
H1CD2HD2A109.0°110.0°
COXTHXT90.0°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCCAOXT37.3°179.8°
OCCAN42.3°18.8°
OCCACB74.2°98.9°
OCCAHA164.9°139.9°
OCOXTHXT90.0°0.2°
CCANCD104.5°145.4°
CCANCB119.4°119.4°
CCANHA119.8°121.1°
CCACBHA119.9°121.2°
CCACBCG95.2°121.9°
CCACBCBE148.7°127.1°
CCACBHB228.7°1.7°
CACOXTHXT90.0°180.0°
CCANH15.6°24.9°
CDNCAH120.0°120.5°
CDNCACB15.0°26.0°
CDNCAHA135.8°93.5°
NCDCGCB12.5°36.6°
NCDCGHD2120.0°118.5°
NCDCGHD3120.0°118.5°
NCDCGCD2126.3°149.6°
NCDCGHG2112.2°84.9°
NCDHD2HD3121.5°123.0°
NCACBHA122.5°119.4°
NCACBCG22.4°2.4°
NCACBCBE93.8°113.5°
NCACBHB2146.2°121.1°
CANCDCG1.4°39.2°
CANCDHD2121.4°79.3°
CANCDHD3118.6°157.7°
NCACOXT79.6°161.4°
CACBCGCBE120.2°114.2°
CACBCGHB2120.1°123.1°
CACBCBEHB2120.5°125.3°
CACBCGCD21.5°20.7°
CACBCGCD2140.5°135.6°
CACBCGHG298.6°101.0°
CACBCBECBF150.6°148.1°
CACBCBEHBE89.4°93.5°
CACBCBEHBEA30.6°29.5°
CBCACOXT36.9°80.9°
CBCANH135.0°94.5°
HACACBCG144.9°117.0°
HACACBCBE28.8°5.9°
HACACBHB291.2°119.4°
HACACOXT157.8°40.4°
HACANH104.2°146.0°
CGCBCBEHB2124.0°123.1°
CBCGCDCD2113.7°113.0°
CBCGCDHG2124.8°121.5°
CBCGCD2HG2124.6°123.6°
CGCBCBECBF35.1°36.5°
CGCBCBEHBE155.1°154.9°
CGCBCBEHBEA84.9°82.1°
CBCGCD2CBF2.1°2.1°
CBCGCDHD2107.5°81.9°
CBCGCDHD3132.6°155.1°
CBCGCD2H1117.9°117.2°
CBCGCD2HD2A122.1°121.5°
CBECBCGCD98.7°93.5°
CBECBCGCD220.4°21.4°
CBECBCGHG2141.2°144.8°
CBCBECBFHBE120.0°118.4°
CBCBECBFHBEA120.0°118.5°
CBCBEHBEHBEA122.4°123.0°
CBCBECBFCD235.4°37.9°
CBCBECBFHBF84.6°80.8°
CBCBECBFHBFA155.4°156.7°
HB2CBCGCD141.6°143.9°
HB2CBCGCD299.3°101.3°
HB2CBCGHG221.5°22.2°
HB2CBCBECBF88.9°86.6°
HB2CBCBEHBE31.1°31.8°
HB2CBCBEHBEA151.1°154.8°
CDCGCD2HG2120.5°125.8°
CDCGCD2CBF116.9°112.7°
CGCDHD2HD3121.4°122.9°
CDCGCD2H13.1°6.6°
CDCGCD2HD2A123.1°127.9°
CGCDNH121.5°81.3°
CGCD2CBFCBE23.3°24.8°
CGCD2CBFH1120.0°119.3°
CGCD2CBFHD2A120.0°119.3°
CGCD2CBFHBF96.7°93.9°
CGCD2CBFHBFA143.3°143.5°
CD2CGCDHD26.3°31.1°
CD2CGCDHD3113.7°91.9°
CGCD2H1HD2A120.6°121.3°
HG2CGCD2CBF122.6°121.5°
HG2CGCDHD2127.8°156.6°
HG2CGCDHD37.8°33.6°
HG2CGCD2H1117.4°119.2°
HG2CGCD2HD2A2.6°2.1°
CBFCBEHBEHBEA122.4°123.2°
CBECBFCD2HBF120.0°118.7°
CBECBFCD2HBFA120.0°118.7°
CBECBFHBFHBFA122.3°122.5°
CBECBFCD2H196.7°94.5°
CBECBFCD2HD2A143.3°144.1°
HBECBECBFCD2155.4°156.3°
HBECBECBFHBF35.4°37.7°
HBECBECBFHBFA84.6°84.8°
HBEACBECBFCD284.6°80.6°
HBEACBECBFHBF155.4°160.8°
HBEACBECBFHBFA35.4°38.3°
CD2CBFHBFHBFA122.3°122.7°
CBFCD2H1HD2A120.6°121.4°
HBFCBFCD2H1143.3°146.8°
HBFCBFCD2HD2A23.3°25.4°
HBFACBFCD2H123.3°24.2°
HBFACBFCD2HD2A96.7°97.2°
HD2CDNH118.5°160.2°
HD3CDNH1.4°37.2°

246704

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