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KGW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBCCBEsing1.53Å1.54Å
CBCNBBsing1.47Å1.49Å
CBEOBGsing1.43Å1.48Å
OBGCBFsing1.43Å1.42Å
CBFCBDsing1.53Å1.54Å
CBDNBBsing1.47Å1.49Å
NBBCBAsing1.40Å1.46Å
CBACAYsing1.39Å1.41ÅAromatic
CBACAXdoub1.39Å1.40ÅAromatic
CAYCASdoub1.38Å1.41ÅAromatic
CASOATsing1.36Å1.35Å
CASCALsing1.39Å1.39ÅAromatic
OATCAUsing1.43Å1.52Å
CAXCARsing1.38Å1.40ÅAromatic
CARCALdoub1.39Å1.39ÅAromatic
CALNAHsing1.40Å1.36Å
NAHC2sing1.38Å1.36Å
C2N3sing1.33Å1.34ÅAromatic
C2N1doub1.33Å1.36ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N1C6sing1.32Å1.34ÅAromatic
C6NAQdoub1.32Å1.34ÅAromatic
C4NAEsing1.38Å1.33Å
C4NAQsing1.33Å1.33ÅAromatic
NAECAJsing1.39Å1.34Å
CAJCAQsing1.39Å1.41ÅAromatic
CAJCAPdoub1.40Å1.41ÅAromatic
CAQCAWdoub1.38Å1.38ÅAromatic
CAWCAZsing1.39Å1.41ÅAromatic
CAZCAVdoub1.38Å1.40ÅAromatic
CAVCAPsing1.40Å1.40ÅAromatic
CAPCAOsing1.47Å1.54Å
CAOOAIdoub1.22Å1.25Å
CAONANsing1.35Å1.35Å
NANCAMsing1.47Å1.49Å
CBCHBC1sing1.09Å1.10Å
CBCHBC2sing1.09Å1.10Å
CBEHBE1sing1.09Å1.10Å
CBEHBE2sing1.09Å1.10Å
CBFHBF1sing1.09Å1.10Å
CBFHBF2sing1.09Å1.10Å
CBDHBD1sing1.09Å1.10Å
CBDHBD2sing1.09Å1.10Å
CAYHAYsing1.08Å1.08Å
CAXHAXsing1.08Å1.08Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
CAUHAU3sing1.09Å1.10Å
CARHARsing1.08Å1.08Å
NAHHAHsing0.97Å1.00Å
C6H6sing1.08Å1.08Å
NAEHAEsing0.97Å1.00Å
CAQHAQsing1.08Å1.08Å
CAWHAWsing1.08Å1.08Å
CAZHAZsing1.08Å1.08Å
CAVHAVsing1.08Å1.08Å
NANHANsing0.97Å1.00Å
CAMHAM1sing1.09Å1.10Å
CAMHAM2sing1.09Å1.10Å
CAMHAM3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBECBCNBB113.4°109.3°
CBCCBEOBG112.3°109.3°
CBECBCHBC1108.5°109.5°
CBECBCHBC2108.5°109.5°
CBCCBEHBE1108.7°109.5°
CBCCBEHBE2108.8°109.5°
CBCNBBCBD123.7°110.7°
CBCNBBCBA117.5°111.0°
NBBCBCHBC1108.5°109.5°
NBBCBCHBC2108.4°109.5°
CBEOBGCBF117.0°113.8°
OBGCBEHBE1108.8°109.5°
OBGCBEHBE2108.7°109.5°
OBGCBFCBD110.4°109.3°
OBGCBFHBF1109.3°109.5°
OBGCBFHBF2109.3°109.5°
CBFCBDNBB115.2°109.2°
CBDCBFHBF1109.2°109.5°
CBDCBFHBF2109.2°109.5°
CBFCBDHBD1108.0°109.5°
CBFCBDHBD2108.0°109.5°
CBDNBBCBA118.4°111.0°
NBBCBDHBD1108.0°109.5°
NBBCBDHBD2108.0°109.5°
NBBCBACAY121.5°120.0°
NBBCBACAX119.4°120.0°
CAYCBACAX119.0°120.0°
CBACAYCAS119.4°119.9°
CBACAYHAY120.3°120.1°
CBACAXCAR120.2°120.1°
CBACAXHAX119.9°120.0°
CAYCASOAT122.0°120.1°
CAYCASCAL121.4°119.9°
CASCAYHAY120.3°120.0°
OATCASCAL116.6°120.0°
CASOATCAU109.6°117.0°
CASCALCAR118.7°119.9°
CASCALNAH117.5°120.1°
OATCAUHAU1109.5°109.4°
OATCAUHAU2109.4°109.5°
OATCAUHAU3109.5°109.5°
CAXCARCAL121.3°120.1°
CARCAXHAX119.9°119.9°
CAXCARHAR119.3°120.0°
CARCALNAH123.9°120.0°
CALCARHAR119.4°120.0°
CALNAHC2128.2°120.0°
CALNAHHAH115.9°120.0°
NAHC2N3122.4°120.1°
NAHC2N1119.1°120.0°
C2NAHHAH115.9°120.0°
N3C2N1118.5°119.9°
C2N3C4120.8°119.9°
C2N1C6120.6°120.1°
N3C4NAE121.9°120.1°
N3C4NAQ120.3°119.9°
N1C6NAQ120.2°120.2°
N1C6H6119.9°119.9°
C6NAQC4119.6°120.1°
NAQC6H6119.9°119.9°
NAEC4NAQ117.7°120.0°
C4NAECAJ126.1°120.0°
C4NAEHAE117.0°120.0°
NAECAJCAQ117.4°120.2°
NAECAJCAP121.2°120.1°
CAJNAEHAE116.9°120.0°
CAQCAJCAP121.3°119.7°
CAJCAQCAW119.5°120.0°
CAJCAQHAQ120.2°120.0°
CAJCAPCAV118.8°119.6°
CAJCAPCAO123.8°120.3°
CAQCAWCAZ119.6°120.4°
CAWCAQHAQ120.2°120.0°
CAQCAWHAW120.2°119.7°
CAWCAZCAV121.0°120.4°
CAZCAWHAW120.2°119.9°
CAWCAZHAZ119.5°119.8°
CAZCAVCAP119.6°119.9°
CAVCAZHAZ119.5°119.8°
CAZCAVHAV120.2°120.0°
CAVCAPCAO117.3°120.2°
CAPCAVHAV120.2°120.1°
CAPCAOOAI121.9°120.0°
CAPCAONAN114.3°120.0°
OAICAONAN123.4°120.0°
CAONANCAM117.7°120.0°
CAONANHAN121.2°120.0°
CAMNANHAN121.1°120.0°
NANCAMHAM1109.5°109.5°
NANCAMHAM2109.5°109.4°
NANCAMHAM3109.5°109.5°
HBC1CBCHBC2109.5°109.5°
HBE1CBEHBE2109.5°109.5°
HBF1CBFHBF2109.4°109.5°
HBD1CBDHBD2109.5°109.6°
HAU1CAUHAU2109.5°109.5°
HAU1CAUHAU3109.4°109.5°
HAU2CAUHAU3109.5°109.5°
HAM1CAMHAM2109.5°109.5°
HAM1CAMHAM3109.4°109.6°
HAM2CAMHAM3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBECBCNBBHBC1120.6°119.9°
CBECBCNBBHBC2120.6°120.0°
CBCCBEOBGHBE1120.4°120.0°
CBCCBEOBGHBE2120.4°119.9°
CBCCBEOBGCBF57.3°58.6°
CBECBCNBBCBD13.6°58.7°
CBECBCNBBCBA174.0°177.6°
CBECBCHBC1HBC2118.2°120.1°
CBCCBEHBE1HBE2118.7°120.1°
NBBCBCCBEOBG30.8°56.9°
CBCNBBCBDCBF15.8°58.6°
CBCNBBCBDCBA172.4°123.7°
CBCNBBCBACAY7.0°180.0°
CBCNBBCBACAX169.9°0.3°
NBBCBCHBC1HBC2118.2°120.1°
NBBCBCCBEHBE1151.3°176.8°
NBBCBCCBEHBE289.6°63.1°
CBCNBBCBDHBD1105.1°61.3°
CBCNBBCBDHBD2136.6°178.5°
CBEOBGCBFCBD58.6°58.6°
OBGCBECBCHBC1151.4°176.8°
OBGCBECBCHBC289.7°63.1°
OBGCBEHBE1HBE2118.7°120.1°
CBEOBGCBFHBF1178.8°178.6°
CBEOBGCBFHBF261.5°61.3°
OBGCBFCBDHBF1120.2°120.0°
OBGCBFCBDHBF2120.2°119.9°
OBGCBFCBDNBB35.6°56.8°
CBFOBGCBEHBE1177.7°178.6°
CBFOBGCBEHBE263.1°61.3°
OBGCBFHBF1HBF2119.6°120.0°
OBGCBFCBDHBD185.3°63.1°
OBGCBFCBDHBD2156.4°176.7°
CBFCBDNBBHBD1120.8°119.9°
CBFCBDNBBHBD2120.8°119.9°
CBFCBDNBBCBA171.9°177.6°
CBDCBFHBF1HBF2119.5°120.2°
CBFCBDHBD1HBD2117.4°120.1°
CBDNBBCBACAY179.9°56.4°
CBDNBBCBACAX3.0°123.9°
CBDNBBCBCHBC1134.2°178.6°
CBDNBBCBCHBC2107.0°61.3°
NBBCBDCBFHBF1155.8°176.8°
NBBCBDCBFHBF284.6°63.1°
NBBCBDHBD1HBD2117.4°120.1°
NBBCBACAYCAX176.9°179.6°
NBBCBACAYCAS178.2°180.0°
NBBCBACAXCAR178.7°179.9°
CBANBBCBCHBC153.4°57.7°
CBANBBCBCHBC265.4°62.4°
CBANBBCBDHBD167.3°62.4°
CBANBBCBDHBD251.1°57.7°
NBBCBACAYHAY1.8°0.1°
NBBCBACAXHAX1.3°0.0°
CBACAYCASHAY180.0°179.9°
CBACAYCASOAT178.4°180.0°
CBACAYCASCAL0.4°0.1°
CAYCBACAXCAR1.7°0.3°
CAYCBACAXHAX178.2°179.7°
CAXCBACAYCAS1.3°0.4°
CBACAXCARHAX180.0°179.9°
CBACAXCARCAL1.3°0.1°
CAXCBACAYHAY178.7°179.7°
CBACAXCARHAR178.7°180.0°
CAYCASOATCAL178.8°179.9°
CAYCASOATCAU4.4°0.1°
CAYCASCALCAR0.1°0.3°
CAYCASCALNAH179.1°179.9°
OATCASCALCAR178.9°179.6°
OATCASCALNAH0.3°0.0°
OATCASCAYHAY1.6°0.1°
CASOATCAUHAU1180.0°60.0°
CASOATCAUHAU260.0°180.0°
CASOATCAUHAU360.0°60.0°
CALCASOATCAU176.8°180.0°
CASCALCARCAX0.4°0.4°
CASCALCARNAH179.2°179.6°
CASCALNAHC2149.3°144.9°
CALCASCAYHAY179.6°180.0°
CASCALCARHAR179.6°179.7°
CASCALNAHHAH30.7°35.0°
OATCAUHAU1HAU2120.0°120.0°
OATCAUHAU1HAU3120.0°120.0°
OATCAUHAU2HAU3120.0°120.0°
CAXCARCALHAR180.0°179.9°
CAXCARCALNAH179.6°180.0°
CARCALNAHC231.5°34.7°
CALCARCAXHAX178.7°180.0°
CARCALNAHHAH148.5°145.3°
CALNAHC2HAH180.0°180.0°
CALNAHC2N31.3°175.4°
CALNAHC2N1178.9°4.3°
NAHCALCARHAR0.4°0.1°
NAHC2N3N1179.8°179.7°
NAHC2N3C4179.5°180.0°
NAHC2N1C6179.7°180.0°
N3C2N1C60.1°0.3°
C2N3C4NAE176.5°180.0°
C2N3C4NAQ1.1°0.1°
N3C2NAHHAH178.7°4.6°
N1C2N3C40.7°0.3°
C2N1C6NAQ0.5°0.1°
N1C2NAHHAH1.1°175.7°
C2N1C6H6179.5°179.9°
N3C4NAQC60.8°0.2°
N3C4NAENAQ177.7°179.9°
N3C4NAECAJ2.5°174.0°
N3C4NAEHAE177.4°6.0°
N1C6NAQH6180.0°179.9°
N1C6NAQC40.1°0.2°
C6NAQC4NAE177.0°179.8°
C4NAECAJHAE180.0°179.9°
C4NAECAJCAQ50.6°25.4°
C4NAECAJCAP133.1°154.8°
NAQC4NAECAJ175.2°6.1°
C4NAQC6H6180.0°179.7°
NAQC4NAEHAE4.8°173.9°
NAECAJCAQCAP176.2°179.8°
NAECAJCAQCAW178.7°180.0°
NAECAJCAPCAV179.2°179.7°
NAECAJCAPCAO4.4°0.0°
NAECAJCAQHAQ1.3°0.1°
CAJCAQCAWHAQ180.0°179.9°
CAJCAQCAWCAZ0.0°0.0°
CAQCAJCAPCAV3.1°0.4°
CAQCAJCAPCAO179.5°179.8°
CAQCAJNAEHAE129.4°154.6°
CAJCAQCAWHAW180.0°180.0°
CAPCAJCAQCAW2.4°0.2°
CAJCAPCAVCAZ1.5°0.5°
CAJCAPCAVCAO176.6°179.8°
CAJCAPCAOOAI23.4°5.5°
CAJCAPCAONAN149.7°174.5°
CAPCAJNAEHAE46.9°25.3°
CAPCAJCAQHAQ177.6°179.7°
CAJCAPCAVHAV178.5°179.8°
CAQCAWCAZHAW180.0°180.0°
CAQCAWCAZCAV1.6°0.0°
CAQCAWCAZHAZ178.4°180.0°
CAWCAZCAVHAZ180.0°180.0°
CAWCAZCAVCAP0.9°0.2°
CAZCAWCAQHAQ180.0°180.0°
CAWCAZCAVHAV179.2°180.0°
CAZCAVCAPHAV180.0°179.7°
CAZCAVCAPCAO178.1°179.7°
CAVCAZCAWHAW178.4°180.0°
CAVCAPCAOOAI160.2°174.3°
CAVCAPCAONAN26.7°5.7°
CAPCAVCAZHAZ179.1°179.7°
CAPCAOOAINAN172.4°180.0°
CAPCAONANCAM178.4°180.0°
CAOCAPCAVHAV1.9°0.0°
CAPCAONANHAN1.6°0.0°
OAICAONANCAM8.7°0.0°
OAICAONANHAN171.4°180.0°
CAONANCAMHAN180.0°179.9°
CAONANCAMHAM1180.0°180.0°
CAONANCAMHAM260.0°60.0°
CAONANCAMHAM360.0°59.9°
NANCAMHAM1HAM2120.0°120.0°
NANCAMHAM1HAM3120.0°120.0°
NANCAMHAM2HAM3120.0°119.9°
HBC1CBCCBEHBE188.1°63.3°
HBC1CBCCBEHBE231.0°56.8°
HBC2CBCCBEHBE130.7°56.9°
HBC2CBCCBEHBE2149.9°176.9°
HBF1CBFCBDHBD134.9°56.9°
HBF1CBFCBDHBD283.4°63.3°
HBF2CBFCBDHBD1154.6°177.0°
HBF2CBFCBDHBD236.3°56.8°
HAXCAXCARHAR1.3°0.1°
HAU1CAUHAU2HAU3120.0°120.1°
HAQCAQCAWHAW0.0°0.1°
HAWCAWCAZHAZ1.6°0.1°
HAZCAZCAVHAV0.9°0.0°
HANNANCAMHAM10.0°0.1°
HANNANCAMHAM2120.1°120.0°
HANNANCAMHAM3119.9°120.0°
HAM1CAMHAM2HAM3120.0°120.1°

222415

PDB entries from 2024-07-10

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