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KMK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C7N8doub1.32Å1.38ÅAromatic
C7C6sing1.39Å1.40ÅAromatic
N8C8Asing1.34Å1.34ÅAromatic
C9C6sing1.51Å1.45Å
C9N10sing1.46Å1.47Å
C6N5doub1.32Å1.36ÅAromatic
C8AN1doub1.34Å1.37ÅAromatic
C8AC4Asing1.42Å1.40ÅAromatic
N1C2sing1.32Å1.35ÅAromatic
N5C4Asing1.33Å1.36ÅAromatic
CAPCBHsing1.53Å1.50Å
CAPN10sing1.46Å1.48Å
C4AC4doub1.46Å1.45ÅAromatic
CBHCBIsing1.53Å1.53Å
N10CASsing1.39Å1.37Å
C2N2sing1.38Å1.33Å
C2N3doub1.33Å1.35ÅAromatic
C4N3sing1.32Å1.35ÅAromatic
C4N4sing1.38Å1.33Å
CASCAOdoub1.39Å1.39ÅAromatic
CASCARsing1.39Å1.39ÅAromatic
OBJCBIsing1.43Å1.41Å
CAOCATsing1.38Å1.39ÅAromatic
CARCAQdoub1.38Å1.41ÅAromatic
CATCAUdoub1.40Å1.38ÅAromatic
CAQCAUsing1.40Å1.40ÅAromatic
CAUCBBsing1.47Å1.43Å
CBACAVsing1.53Å1.49Å
CBACAZsing1.53Å1.50Å
CBGOBEsing1.45Å1.43Å
CAVNAWsing1.47Å1.49Å
CBBOBCdoub1.22Å1.22Å
CBBNAWsing1.35Å1.37Å
NAWCAXsing1.47Å1.51Å
OBFCBDdoub1.21Å1.23Å
CBDCAZsing1.51Å1.53Å
CBDOBEsing1.34Å1.35Å
CAZCAYsing1.53Å1.50Å
CAYCAXsing1.53Å1.51Å
C7H1sing1.08Å1.08Å
CBGH2sing1.09Å1.10Å
CBGH3sing1.09Å1.10Å
CBGH4sing1.09Å1.10Å
CAZH5sing1.09Å1.10Å
CBAH6sing1.09Å1.10Å
CBAH7sing1.09Å1.10Å
CAVH8sing1.09Å1.10Å
CAVH9sing1.09Å1.10Å
CAYH10sing1.09Å1.10Å
CAYH11sing1.09Å1.10Å
CAXH12sing1.09Å1.10Å
CAXH13sing1.09Å1.10Å
CATH14sing1.08Å1.08Å
CAOH15sing1.08Å1.08Å
CAQH16sing1.08Å1.08Å
CARH17sing1.08Å1.08Å
CAPH18sing1.09Å1.10Å
CAPH19sing1.09Å1.10Å
CBHH20sing1.09Å1.10Å
CBHH21sing1.09Å1.10Å
CBIH22sing1.09Å1.10Å
CBIH23sing1.09Å1.10Å
OBJH24sing0.97Å0.95Å
C9H25sing1.09Å1.10Å
C9H26sing1.09Å1.10Å
N4H27sing0.97Å1.00Å
N4H28sing0.97Å1.00Å
N2H29sing0.97Å1.00Å
N2H30sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N8C7C6122.4°120.8°
C7N8C8A116.1°119.6°
N8C7H1118.8°119.6°
C7C6C9118.0°119.7°
C7C6N5121.0°120.7°
C6C7H1118.8°119.6°
N8C8AN1119.1°121.9°
N8C8AC4A121.8°119.4°
C6C9N10116.7°109.5°
C9C6N5121.0°119.7°
C6C9H25107.6°109.5°
C6C9H26107.7°109.4°
C9N10CAP114.8°120.0°
C9N10CAS120.9°120.0°
N10C9H25107.7°109.5°
N10C9H26107.6°109.5°
C6N5C4A116.5°119.6°
N1C8AC4A119.0°118.6°
C8AN1C2121.3°121.1°
C8AC4AN5122.2°120.0°
C8AC4AC4116.7°117.8°
N1C2N2118.6°118.3°
N1C2N3122.9°123.4°
N5C4AC4121.1°122.1°
CBHCAPN10110.7°109.5°
CAPCBHCBI111.1°109.5°
CBHCAPH18109.2°109.4°
CBHCAPH19109.2°109.5°
CAPCBHH20109.1°109.5°
CAPCBHH21109.1°109.5°
CAPN10CAS124.0°120.0°
N10CAPH18109.2°109.5°
N10CAPH19109.2°109.5°
C4AC4N3121.8°117.7°
C4AC4N4120.3°121.2°
CBHCBIOBJ109.4°109.5°
CBICBHH20109.1°109.4°
CBICBHH21109.0°109.5°
CBHCBIH22109.5°109.5°
CBHCBIH23109.5°109.5°
N10CASCAO121.2°120.0°
N10CASCAR123.1°119.9°
N2C2N3118.4°118.3°
C2N2H29109.5°120.1°
C2N2H30109.5°120.0°
C2N3C4118.2°121.3°
N3C4N4117.9°121.1°
C4N4H27109.5°120.0°
C4N4H28109.4°120.0°
CAOCASCAR115.4°120.1°
CASCAOCAT122.5°120.1°
CASCAOH15118.8°119.9°
CASCARCAQ121.9°120.0°
CASCARH17119.1°120.0°
OBJCBIH22109.5°109.5°
OBJCBIH23109.5°109.4°
CBIOBJH24109.5°114.0°
CAOCATCAU122.7°119.9°
CAOCATH14118.7°120.1°
CATCAOH15118.7°119.9°
CARCAQCAU122.0°120.0°
CARCAQH16119.0°120.0°
CAQCARH17119.0°120.0°
CATCAUCAQ115.3°119.8°
CATCAUCBB121.0°120.1°
CAUCATH14118.7°120.0°
CAQCAUCBB123.7°120.1°
CAUCAQH16119.0°120.0°
CAUCBBOBC115.3°120.0°
CAUCBBNAW122.6°120.0°
CAVCBACAZ108.5°109.3°
CBACAVNAW111.8°108.7°
CAVCBAH6109.7°109.5°
CAVCBAH7109.7°109.5°
CBACAVH8108.9°109.6°
CBACAVH9108.9°109.6°
CBACAZCBD106.9°109.5°
CBACAZCAY108.6°109.6°
CBACAZH5109.7°109.5°
CAZCBAH6109.7°109.5°
CAZCBAH7109.7°109.5°
CBGOBECBD109.2°117.1°
OBECBGH2109.5°109.5°
OBECBGH3109.4°109.5°
OBECBGH4109.5°109.5°
CAVNAWCBB123.1°120.6°
CAVNAWCAX114.8°118.8°
NAWCAVH8108.9°109.5°
NAWCAVH9108.9°109.6°
OBCCBBNAW121.7°120.0°
CBBNAWCAX121.7°120.7°
NAWCAXCAY107.8°108.8°
NAWCAXH12109.9°109.6°
NAWCAXH13109.9°109.7°
OBFCBDCAZ120.3°120.0°
OBFCBDOBE124.0°120.0°
CAZCBDOBE115.7°120.0°
CBDCAZCAY112.5°109.5°
CBDCAZH5109.3°109.4°
CAZCAYCAX105.9°109.3°
CAYCAZH5109.8°109.4°
CAZCAYH10110.4°109.4°
CAZCAYH11110.3°109.5°
CAXCAYH10110.4°109.5°
CAXCAYH11110.4°109.5°
CAYCAXH12109.9°109.6°
CAYCAXH13109.9°109.6°
H2CBGH3109.5°109.5°
H2CBGH4109.5°109.4°
H3CBGH4109.5°109.5°
H6CBAH7109.5°109.5°
H8CAVH9109.5°109.8°
H10CAYH11109.5°109.5°
H12CAXH13109.5°109.5°
H18CAPH19109.5°109.5°
H20CBHH21109.5°109.5°
H22CBIH23109.5°109.5°
H25C9H26109.5°109.4°
H27N4H28109.5°120.0°
H29N2H30109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N8C7C6H1180.0°179.9°
N8C7C6C9178.4°180.0°
N8C7C6N50.2°0.1°
C7N8C8AN1179.9°180.0°
C7N8C8AC4A0.4°0.0°
C6C7N8C8A1.2°0.0°
C7C6C9N5178.5°179.9°
C7C6C9N10133.5°94.9°
C7C6N5C4A2.3°0.1°
C7C6C9H25105.5°145.0°
C7C6C9H2612.4°25.0°
N8C8AN1C4A179.7°179.9°
N8C8AN1C2179.5°180.0°
N8C8AC4AN51.8°0.0°
N8C8AC4AC4178.9°179.8°
C8AN8C7H1178.8°179.9°
C6C9N10H25121.0°120.1°
C6C9N10H26121.0°120.0°
C9C6N5C4A176.2°180.0°
C6C9N10CAP118.7°90.0°
C6C9N10CAS67.1°90.0°
C9C6C7H11.7°0.0°
C6C9H25H26116.7°119.9°
N10C9C6N548.0°85.0°
C9N10CAPCBH77.1°90.0°
C9N10CAPCAS174.0°179.9°
C9N10CASCAO5.2°0.1°
C9N10CASCAR169.1°179.8°
C9N10CAPH18162.7°30.0°
C9N10CAPH1943.1°150.0°
N10C9H25H26116.7°120.0°
C6N5C4AC8A3.1°0.1°
C6N5C4AC4179.9°179.8°
N5C6C7H1179.8°179.9°
N5C6C9H2573.1°35.1°
N5C6C9H26169.0°155.0°
N1C8AC4AN5177.9°180.0°
N1C8AC4AC40.8°0.2°
C8AN1C2N2179.0°180.0°
C8AN1C2N30.3°0.2°
C4AC8AN1C20.2°0.0°
C8AC4AN5C4177.0°179.8°
C8AC4AC4N31.6°0.2°
C8AC4AC4N4179.0°179.8°
N1C2N2N3178.7°179.7°
N1C2N3C41.0°0.3°
N1C2N2H290.0°179.7°
N1C2N2H30120.0°0.2°
N5C4AC4N3178.7°180.0°
N5C4AC4N41.9°0.0°
CBHCAPN10H18120.2°120.0°
CBHCAPN10H19120.2°120.0°
CAPCBHCBIH20120.2°120.0°
CAPCBHCBIH21120.3°120.0°
CBHCAPN10CAS108.9°90.1°
CAPCBHCBIOBJ166.4°179.9°
CBHCAPH18H19119.4°120.0°
CAPCBHH20H21119.3°120.0°
CAPCBHCBIH2273.6°60.0°
CAPCBHCBIH2346.4°60.0°
N10CAPCBHCBI59.9°180.0°
CAPN10CASCAO168.4°180.0°
CAPN10CASCAR17.3°0.2°
N10CAPH18H19119.5°120.0°
N10CAPCBHH2060.3°60.1°
N10CAPCBHH21179.8°60.0°
CAPN10C9H252.3°150.0°
CAPN10C9H26120.2°30.0°
C4AC4N3C21.7°0.0°
C4AC4N3N4179.4°180.0°
C4AC4N4H27179.5°180.0°
C4AC4N4H2859.5°0.0°
CBHCBIOBJH22120.0°120.0°
CBHCBIOBJH23120.0°120.0°
CBICBHCAPH1860.2°60.0°
CBICBHCAPH19179.9°60.0°
CBICBHH20H21119.2°120.0°
CBHCBIH22H23120.0°120.0°
CBHCBIOBJH24180.0°180.0°
N10CASCAOCAR174.7°179.9°
N10CASCAOCAT179.4°179.9°
N10CASCARCAQ177.0°179.9°
N10CASCAOH150.6°0.0°
N10CASCARH172.9°0.1°
CASN10CAPH1811.3°150.0°
CASN10CAPH19130.9°29.9°
CASN10C9H25171.9°30.1°
CASN10C9H2654.0°150.1°
N2C2N3C4179.7°180.0°
C2N2H29H30120.0°180.0°
C2N3C4N4178.9°180.0°
N3C2N2H29178.7°0.0°
N3C2N2H3058.7°180.0°
N3C4N4H270.0°0.0°
N3C4N4H28120.0°180.0°
C4N4H27H28120.0°180.0°
CASCAOCATH15180.0°180.0°
CAOCASCARCAQ2.4°0.2°
CASCAOCATCAU5.4°0.0°
CASCAOCATH14174.6°180.0°
CAOCASCARH17177.5°179.8°
CARCASCAOCAT4.7°0.2°
CASCARCAQH17180.0°179.9°
CASCARCAQCAU0.6°0.0°
CARCASCAOH15175.3°179.8°
CASCARCAQH16179.4°179.9°
OBJCBICBHH2046.2°60.0°
OBJCBICBHH2173.3°60.1°
OBJCBIH22H23120.0°120.0°
CAOCATCAUH14180.0°180.0°
CAOCATCAUCAQ3.2°0.2°
CAOCATCAUCBB178.2°180.0°
CARCAQCAUCAT0.9°0.2°
CARCAQCAUH16180.0°179.9°
CARCAQCAUCBB179.5°180.0°
CATCAUCAQCBB178.6°179.8°
CATCAUCBBOBC122.5°41.3°
CATCAUCBBNAW50.6°138.8°
CAUCATCAOH15174.7°180.0°
CATCAUCAQH16179.1°179.7°
CAQCAUCBBOBC56.1°138.5°
CAQCAUCBBNAW130.9°41.4°
CAQCAUCATH14176.8°179.8°
CAUCAQCARH17179.3°180.0°
CAUCBBNAWCAV10.4°5.9°
CAUCBBOBCNAW173.1°179.9°
CAUCBBNAWCAX176.9°174.1°
CBBCAUCATH141.8°0.0°
CBBCAUCAQH160.5°0.1°
CAVCBACAZH6119.9°119.9°
CAVCBACAZH7119.9°120.0°
CBACAVNAWH8120.4°119.7°
CBACAVNAWH9120.4°119.8°
CBACAVNAWCBB137.7°126.4°
CBACAVNAWCAX49.1°53.6°
CAVCBACAZCBD173.6°178.6°
CAVCBACAZCAY64.8°61.4°
CAVCBACAZH555.1°58.6°
CAVCBAH6H7120.5°120.1°
CBACAVH8H9118.9°120.4°
CAZCBACAVNAW52.5°54.6°
CBACAZCBDOBF54.2°120.0°
CBACAZCBDCAY119.1°120.1°
CBACAZCBDH5118.7°120.0°
CBACAZCBDOBE124.0°59.9°
CBACAZCAYH5119.9°120.0°
CBACAZCAYCAX70.3°61.3°
CAZCBAH6H7120.4°120.1°
CAZCBACAVH867.8°65.1°
CAZCBACAVH9172.9°174.4°
CBACAZCAYH1049.1°58.6°
CBACAZCAYH11170.2°178.7°
CBGOBECBDOBF77.2°0.0°
CBGOBECBDCAZ100.9°180.0°
OBECBGH2H3120.0°120.0°
OBECBGH2H4120.0°120.0°
OBECBGH3H4120.0°120.0°
CAVNAWCBBOBC177.0°174.2°
CAVNAWCBBCAX172.8°180.0°
CAVNAWCAXCAY53.7°53.6°
NAWCAVCBAH667.3°174.5°
NAWCAVCBAH7172.4°65.3°
NAWCAVH8H9118.9°120.4°
CAVNAWCAXH1266.0°173.4°
CAVNAWCAXH13173.5°66.3°
OBCCBBNAWCAX4.3°5.8°
CBBNAWCAXCAY133.0°126.4°
CBBNAWCAVH8101.9°113.9°
CBBNAWCAVH917.3°6.6°
CBBNAWCAXH12107.3°6.5°
CBBNAWCAXH1313.2°113.8°
NAWCAXCAYCAZ62.5°54.6°
NAWCAXCAYH12119.7°119.8°
NAWCAXCAYH13119.7°119.9°
CAXNAWCAVH871.3°66.2°
CAXNAWCAVH9169.5°173.4°
NAWCAXCAYH1057.0°65.3°
NAWCAXCAYH11178.1°174.6°
NAWCAXH12H13120.8°120.4°
OBFCBDCAZOBE178.2°179.9°
OBFCBDCAZCAY173.3°0.1°
OBFCBDCAZH564.5°120.0°
CBDCAZCAYH5122.0°119.9°
CBDCAZCAYCAX171.6°178.6°
CBDCAZCBAH666.5°58.7°
CBDCAZCBAH753.8°61.5°
CBDCAZCAYH1069.0°61.5°
CBDCAZCAYH1152.1°58.6°
OBECBDCAZCAY4.9°180.0°
CBDOBECBGH2180.0°60.0°
CBDOBECBGH360.0°180.0°
CBDOBECBGH460.0°60.0°
OBECBDCAZH5117.3°60.1°
CAZCAYCAXH10119.5°119.9°
CAZCAYCAXH11119.4°120.0°
CAYCAZCBAH655.0°178.7°
CAYCAZCBAH7175.3°58.6°
CAZCAYH10H11121.6°120.0°
CAZCAYCAXH1257.3°174.4°
CAZCAYCAXH13177.8°65.3°
CAXCAYCAZH549.6°58.7°
CAXCAYH10H11121.6°120.1°
CAYCAXH12H13120.8°120.3°
H2CBGH3H4120.0°120.0°
H5CAZCBAH6175.0°61.3°
H5CAZCBAH764.7°178.6°
H5CAZCAYH10169.0°178.6°
H5CAZCAYH1169.9°61.3°
H6CBACAVH8172.4°54.8°
H6CBACAVH953.1°65.6°
H7CBACAVH852.1°175.0°
H7CBACAVH967.2°54.5°
H10CAYCAXH12176.7°54.6°
H10CAYCAXH1362.7°174.8°
H11CAYCAXH1262.2°65.6°
H11CAYCAXH1358.4°54.6°
H14CATCAOH155.4°0.0°
H16CAQCARH170.7°0.0°
H18CAPCBHH20179.5°179.9°
H18CAPCBHH2160.0°60.0°
H19CAPCBHH2059.9°60.0°
H19CAPCBHH2159.6°180.0°
H20CBHCBIH22166.2°180.0°
H20CBHCBIH2373.8°60.0°
H21CBHCBIH2246.7°60.0°
H21CBHCBIH23166.7°180.0°
H22CBIOBJH2460.0°59.9°
H23CBIOBJH2460.0°60.0°

222624

PDB entries from 2024-07-17

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