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QMQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAANBIsing1.46Å1.47Å
NBICABsing1.47Å1.47Å
NBICBEsing1.39Å1.36Å
CBECAMdoub1.39Å1.41ÅAromatic
CBECALsing1.39Å1.40ÅAromatic
CAMCAPsing1.38Å1.40ÅAromatic
CAPNBKdoub1.32Å1.42ÅAromatic
CALCAOdoub1.38Å1.40ÅAromatic
CAONBKsing1.32Å1.40ÅAromatic
NBKCAWsing1.47Å1.49Å
CAWCBDsing1.51Å1.42Å
CBDCAKsing1.38Å1.40ÅAromatic
CBDCAJdoub1.38Å1.40ÅAromatic
CAKCAGdoub1.38Å1.41ÅAromatic
CAGCBBsing1.38Å1.41ÅAromatic
CAJCAFsing1.38Å1.39ÅAromatic
CAFCBBdoub1.38Å1.40ÅAromatic
CBBCAUsing1.51Å1.41Å
CAUCASsing1.53Å1.55Å
CASCARsing1.53Å1.55Å
CARCATsing1.53Å1.56Å
CATCBAsing1.51Å1.42Å
CBACAEsing1.38Å1.40ÅAromatic
CBACADdoub1.38Å1.39ÅAromatic
CAECAIdoub1.38Å1.41ÅAromatic
CAICBCsing1.38Å1.40ÅAromatic
CADCAHsing1.38Å1.40ÅAromatic
CAHCBCdoub1.38Å1.39ÅAromatic
CBCCAVsing1.51Å1.40Å
CAVN9sing1.46Å1.54Å
N9C8sing1.36Å1.34ÅAromatic
N9C4sing1.37Å1.33ÅAromatic
C8N7doub1.30Å1.34ÅAromatic
N7C5sing1.35Å1.34ÅAromatic
C5C4sing1.40Å1.35ÅAromatic
C5C6doub1.41Å1.35ÅAromatic
C4N3doub1.33Å1.34ÅAromatic
N3C2sing1.32Å1.40ÅAromatic
C2N1doub1.32Å1.39ÅAromatic
N1C6sing1.33Å1.34ÅAromatic
C6N6sing1.38Å1.34Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
CAMHAMsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAWHAW1sing1.09Å1.10Å
CAWHAW2sing1.09Å1.10Å
CAKHAKsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CAEHAEsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAVHAV1sing1.09Å1.10Å
CAVHAV2sing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
N6H61Nsing0.97Å1.00Å
N6H62Nsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAANBICAB120.7°120.0°
CAANBICBE120.3°120.0°
NBICAAHAA1109.5°109.5°
NBICAAHAA2109.5°109.5°
NBICAAHAA3109.5°109.5°
CABNBICBE118.9°120.0°
NBICABHAB1109.5°109.5°
NBICABHAB2109.5°109.5°
NBICABHAB3109.4°109.4°
NBICBECAM121.0°120.8°
NBICBECAL121.2°120.9°
CAMCBECAL117.8°118.3°
CBECAMCAP122.6°119.1°
CBECAMHAM118.7°120.5°
CBECALCAO120.7°119.1°
CBECALHAL119.6°120.5°
CAMCAPNBK118.7°120.8°
CAPCAMHAM118.7°120.4°
CAMCAPHAP120.6°119.6°
CAPNBKCAO118.8°122.0°
CAPNBKCAW120.8°119.0°
NBKCAPHAP120.6°119.6°
CALCAONBK121.4°120.8°
CAOCALHAL119.6°120.4°
CALCAOHAO119.3°119.6°
CAONBKCAW120.4°119.0°
NBKCAOHAO119.3°119.6°
NBKCAWCBD109.1°109.5°
NBKCAWHAW1109.6°109.4°
NBKCAWHAW2109.6°109.4°
CAWCBDCAK120.7°120.0°
CAWCBDCAJ120.9°120.0°
CBDCAWHAW1109.6°109.5°
CBDCAWHAW2109.5°109.5°
CAKCBDCAJ118.5°120.0°
CBDCAKCAG119.8°120.0°
CBDCAKHAK120.1°120.0°
CBDCAJCAF121.9°120.0°
CBDCAJHAJ119.0°120.0°
CAKCAGCBB121.3°119.9°
CAGCAKHAK120.1°120.0°
CAKCAGHAG119.4°120.0°
CAGCBBCAF118.7°120.0°
CAGCBBCAU121.5°120.0°
CBBCAGHAG119.3°120.0°
CAJCAFCBB119.7°120.0°
CAFCAJHAJ119.1°120.0°
CAJCAFHAF120.1°120.0°
CAFCBBCAU119.8°120.0°
CBBCAFHAF120.1°120.0°
CBBCAUCAS111.5°109.5°
CBBCAUHAU1109.0°109.4°
CBBCAUHAU2108.9°109.5°
CAUCASCAR112.2°109.5°
CASCAUHAU1108.9°109.5°
CASCAUHAU2109.0°109.5°
CAUCASHAS1108.8°109.4°
CAUCASHAS2108.8°109.5°
CASCARCAT111.0°109.5°
CARCASHAS1108.8°109.5°
CARCASHAS2108.8°109.5°
CASCARHAR1109.1°109.5°
CASCARHAR2109.1°109.5°
CARCATCBA112.7°109.5°
CATCARHAR1109.1°109.4°
CATCARHAR2109.1°109.5°
CARCATHAT1108.7°109.5°
CARCATHAT2108.7°109.5°
CATCBACAE121.4°120.0°
CATCBACAD120.2°120.0°
CBACATHAT1108.7°109.4°
CBACATHAT2108.7°109.4°
CAECBACAD118.4°120.0°
CBACAECAI120.4°120.0°
CBACAEHAE119.8°120.0°
CBACADCAH121.4°120.0°
CBACADHAD119.3°120.0°
CAECAICBC120.6°120.0°
CAICAEHAE119.8°120.0°
CAECAIHAI119.7°120.0°
CAICBCCAH119.1°120.0°
CAICBCCAV120.9°120.0°
CBCCAIHAI119.7°120.0°
CADCAHCBC120.1°120.0°
CAHCADHAD119.3°120.0°
CADCAHHAH120.0°120.0°
CAHCBCCAV119.9°120.0°
CBCCAHHAH120.0°120.0°
CBCCAVN9111.5°109.5°
CBCCAVHAV1108.9°109.5°
CBCCAVHAV2108.9°109.4°
CAVN9C8131.1°126.3°
CAVN9C4121.9°126.3°
N9CAVHAV1109.0°109.5°
N9CAVHAV2108.9°109.5°
C8N9C4106.9°107.4°
N9C8N7109.3°110.0°
N9C8H8125.4°125.0°
N9C4C5109.0°106.0°
N9C4N3129.9°134.9°
C8N7C5107.2°109.4°
N7C8H8125.3°125.0°
N7C5C4107.6°107.2°
N7C5C6132.6°134.7°
C4C5C6119.8°118.2°
C5C4N3121.1°119.1°
C5C6N1121.2°118.4°
C5C6N6118.2°120.8°
C4N3C2120.3°120.6°
N3C2N1117.4°122.5°
N3C2H2121.3°118.7°
C2N1C6120.2°121.2°
N1C2H2121.3°118.8°
N1C6N6120.6°120.8°
C6N6H61N109.5°120.0°
C6N6H62N109.5°120.0°
HAA1CAAHAA2109.4°109.4°
HAA1CAAHAA3109.5°109.4°
HAA2CAAHAA3109.5°109.5°
HAB1CABHAB2109.5°109.5°
HAB1CABHAB3109.5°109.5°
HAB2CABHAB3109.5°109.5°
HAW1CAWHAW2109.5°109.5°
HAU1CAUHAU2109.5°109.5°
HAS1CASHAS2109.4°109.5°
HAR1CARHAR2109.5°109.5°
HAT1CATHAT2109.5°109.5°
HAV1CAVHAV2109.5°109.5°
H61NN6H62N109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAANBICABCBE176.9°179.9°
CAANBICBECAM173.4°0.0°
CAANBICBECAL7.5°179.7°
NBICAAHAA1HAA2120.0°120.0°
NBICAAHAA1HAA3120.0°120.0°
NBICAAHAA2HAA3120.0°120.0°
CAANBICABHAB1180.0°90.0°
CAANBICABHAB260.0°150.0°
CAANBICABHAB360.0°30.0°
CABNBICBECAM3.5°180.0°
CABNBICBECAL175.5°0.3°
CABNBICAAHAA1180.0°90.0°
CABNBICAAHAA260.0°150.0°
CABNBICAAHAA360.0°29.9°
NBICABHAB1HAB2120.0°120.0°
NBICABHAB1HAB3120.0°120.0°
NBICABHAB2HAB3120.0°120.0°
NBICBECAMCAL179.1°179.7°
NBICBECAMCAP179.4°180.0°
NBICBECALCAO179.8°179.9°
CBENBICAAHAA13.1°90.0°
CBENBICAAHAA2116.9°29.9°
CBENBICAAHAA3123.1°150.0°
CBENBICABHAB13.1°90.0°
CBENBICABHAB2123.1°30.0°
CBENBICABHAB3116.9°150.0°
NBICBECAMHAM0.6°0.1°
NBICBECALHAL0.3°0.0°
CBECAMCAPHAM180.0°180.0°
CBECAMCAPNBK0.3°0.0°
CAMCBECALCAO1.2°0.3°
CAMCBECALHAL178.8°179.7°
CBECAMCAPHAP179.7°180.0°
CALCBECAMCAP0.3°0.3°
CBECALCAOHAL180.0°180.0°
CBECALCAONBK1.4°0.0°
CALCBECAMHAM179.7°179.7°
CBECALCAOHAO178.6°179.9°
CAMCAPNBKHAP180.0°180.0°
CAMCAPNBKCAO0.1°0.3°
CAMCAPNBKCAW178.0°180.0°
CAPNBKCAOCAL0.8°0.3°
CAPNBKCAOCAW178.0°179.7°
CAPNBKCAWCBD62.5°90.0°
NBKCAPCAMHAM179.7°180.0°
CAPNBKCAOHAO179.2°179.8°
CAPNBKCAWHAW1177.6°150.0°
CAPNBKCAWHAW257.4°30.0°
CALCAONBKHAO180.0°179.9°
CALCAONBKCAW178.8°180.0°
CAONBKCAWCBD115.5°89.7°
NBKCAOCALHAL178.5°180.0°
CAONBKCAPHAP179.9°179.7°
CAONBKCAWHAW14.4°30.3°
CAONBKCAWHAW2124.6°150.3°
NBKCAWCBDHAW1120.0°120.0°
NBKCAWCBDHAW2119.9°120.0°
NBKCAWCBDCAK139.9°90.0°
NBKCAWCBDCAJ38.2°90.3°
CAWNBKCAPHAP2.1°0.0°
CAWNBKCAOHAO1.2°0.1°
NBKCAWHAW1HAW2120.2°119.9°
CAWCBDCAKCAJ178.1°179.7°
CAWCBDCAKCAG179.2°180.0°
CAWCBDCAJCAF178.8°180.0°
CBDCAWHAW1HAW2120.2°120.1°
CAWCBDCAKHAK0.8°0.0°
CAWCBDCAJHAJ1.2°0.0°
CBDCAKCAGHAK180.0°180.0°
CBDCAKCAGCBB0.8°0.0°
CAKCBDCAJCAF0.7°0.3°
CAKCBDCAWHAW1100.1°29.9°
CAKCBDCAWHAW220.0°150.0°
CAKCBDCAJHAJ179.3°179.7°
CBDCAKCAGHAG179.2°179.9°
CAJCBDCAKCAG1.1°0.3°
CBDCAJCAFHAJ180.0°180.0°
CBDCAJCAFCBB0.1°0.0°
CAJCBDCAWHAW181.8°149.8°
CAJCBDCAWHAW2158.1°29.7°
CAJCBDCAKHAK178.9°179.7°
CBDCAJCAFHAF179.9°180.0°
CAKCAGCBBHAG180.0°180.0°
CAKCAGCBBCAF0.0°0.2°
CAKCAGCBBCAU179.5°180.0°
CAGCBBCAFCAJ0.4°0.2°
CAGCBBCAFCAU179.5°179.8°
CAGCBBCAUCAS74.8°90.0°
CBBCAGCAKHAK179.2°180.0°
CAGCBBCAFHAF179.6°179.7°
CAGCBBCAUHAU1164.9°150.0°
CAGCBBCAUHAU245.5°30.0°
CAJCAFCBBHAF180.0°180.0°
CAJCAFCBBCAU179.9°180.0°
CAFCBBCAUCAS104.6°89.8°
CBBCAFCAJHAJ179.9°179.9°
CAFCBBCAGHAG180.0°179.8°
CAFCBBCAUHAU115.6°30.2°
CAFCBBCAUHAU2135.0°150.2°
CBBCAUCASHAU1120.3°120.0°
CBBCAUCASHAU2120.3°120.0°
CBBCAUCASCAR143.8°180.0°
CAUCBBCAGHAG0.6°0.0°
CAUCBBCAFHAF0.1°0.0°
CBBCAUHAU1HAU2119.1°120.0°
CBBCAUCASHAS195.8°60.0°
CBBCAUCASHAS223.3°60.0°
CAUCASCARHAS1120.4°120.0°
CAUCASCARHAS2120.4°120.0°
CAUCASCARCAT168.3°180.0°
CASCAUHAU1HAU2119.1°120.0°
CAUCASHAS1HAS2118.8°120.0°
CAUCASCARHAR148.1°60.0°
CAUCASCARHAR271.4°60.0°
CASCARCATHAR1120.2°120.0°
CASCARCATHAR2120.3°120.0°
CASCARCATCBA158.6°180.0°
CARCASCAUHAU123.5°60.0°
CARCASCAUHAU295.9°60.0°
CARCASHAS1HAS2118.8°120.0°
CASCARHAR1HAR2119.3°120.0°
CASCARCATHAT138.1°60.0°
CASCARCATHAT280.9°60.0°
CARCATCBAHAT1120.5°120.0°
CARCATCBAHAT2120.5°120.0°
CARCATCBACAE91.4°90.0°
CARCATCBACAD88.8°90.3°
CATCARCASHAS171.2°60.0°
CATCARCASHAS247.9°60.0°
CATCARHAR1HAR2119.3°120.0°
CARCATHAT1HAT2118.5°120.0°
CATCBACAECAD179.8°179.8°
CATCBACAECAI179.9°180.0°
CATCBACADCAH179.1°180.0°
CBACATCARHAR181.2°60.0°
CBACATCARHAR238.3°60.0°
CBACATHAT1HAT2118.5°119.9°
CATCBACAEHAE0.1°0.0°
CATCBACADHAD0.9°0.1°
CBACAECAIHAE180.0°180.0°
CBACAECAICBC0.4°0.0°
CAECBACADCAH1.1°0.2°
CAECBACATHAT129.1°30.0°
CAECBACATHAT2148.1°150.0°
CAECBACADHAD178.9°179.7°
CBACAECAIHAI179.6°180.0°
CADCBACAECAI0.3°0.2°
CBACADCAHHAD180.0°179.9°
CBACADCAHCBC1.3°0.0°
CADCBACATHAT1150.7°149.7°
CADCBACATHAT231.7°29.8°
CADCBACAEHAE179.7°179.8°
CBACADCAHHAH178.7°180.0°
CAECAICBCHAI180.0°180.0°
CAECAICBCCAH0.3°0.2°
CAECAICBCCAV179.9°180.0°
CAICBCCAHCAD0.5°0.2°
CAICBCCAHCAV179.5°179.8°
CAICBCCAVN9106.1°90.0°
CBCCAICAEHAE179.6°180.0°
CAICBCCAHHAH179.5°179.8°
CAICBCCAVHAV1133.6°149.9°
CAICBCCAVHAV214.2°30.0°
CADCAHCBCHAH180.0°179.9°
CADCAHCBCCAV179.0°179.9°
CAHCBCCAVN973.5°89.8°
CBCCAHCADHAD178.8°179.9°
CAHCBCCAIHAI179.7°179.8°
CAHCBCCAVHAV146.9°30.3°
CAHCBCCAVHAV2166.2°150.2°
CBCCAVN9HAV1120.3°120.0°
CBCCAVN9HAV2120.3°120.0°
CBCCAVN9C83.2°94.9°
CBCCAVN9C4176.1°84.7°
CAVCBCCAIHAI0.2°0.0°
CAVCBCCAHHAH1.0°0.0°
CBCCAVHAV1HAV2119.1°120.0°
CAVN9C8C4179.4°179.7°
CAVN9C8N7179.9°180.0°
CAVN9C4C5179.9°179.9°
CAVN9C4N30.0°0.0°
N9CAVHAV1HAV2119.1°120.0°
CAVN9C8H80.1°0.1°
N9C8N7H8180.0°179.9°
N9C8N7C50.6°0.1°
C8N9C4C50.4°0.5°
C8N9C4N3179.5°179.7°
C8N9CAVHAV1117.1°145.0°
C8N9CAVHAV2123.5°25.0°
C4N9C8N70.7°0.4°
N9C4C5N70.1°0.4°
N9C4C5N3179.9°179.9°
N9C4C5C6179.4°179.8°
N9C4N3C2179.2°180.0°
C4N9CAVHAV163.6°35.3°
C4N9CAVHAV255.8°155.4°
C4N9C8H8179.3°179.7°
C8N7C5C40.3°0.2°
C8N7C5C6178.8°180.0°
N7C5C4C6179.3°179.8°
N7C5C4N3179.8°179.7°
N7C5C6N1179.4°179.2°
N7C5C6N60.4°0.1°
C5N7C8H8179.4°180.0°
C5C4N3C20.7°0.2°
C4C5C6N10.3°0.5°
C4C5C6N6179.5°179.7°
C6C5C4N30.5°0.1°
C5C6N1C20.2°0.7°
C5C6N1N6179.8°179.2°
C5C6N6H61N179.8°0.0°
C5C6N6H62N59.8°180.0°
C4N3C2N10.5°0.0°
C4N3C2H2179.5°180.0°
N3C2N1H2180.0°180.0°
N3C2N1C60.3°0.5°
C2N1C6N6179.6°179.9°
C6N1C2H2179.7°179.5°
N1C6N6H61N0.0°179.2°
N1C6N6H62N120.0°0.8°
C6N6H61NH62N120.0°179.9°
HAA1CAAHAA2HAA3120.0°120.0°
HAB1CABHAB2HAB3120.0°120.0°
HAMCAMCAPHAP0.3°0.0°
HALCALCAOHAO1.5°0.1°
HAKCAKCAGHAG0.8°0.0°
HAJCAJCAFHAF0.1°0.0°
HAU1CAUCASHAS1143.9°180.0°
HAU1CAUCASHAS297.0°60.0°
HAU2CAUCASHAS124.5°60.0°
HAU2CAUCASHAS2143.6°180.0°
HAS1CASCARHAR1168.6°NaN°
HAS1CASCARHAR249.0°60.0°
HAS2CASCARHAR172.3°60.0°
HAS2CASCARHAR2168.2°180.0°
HAR1CARCATHAT1158.3°180.0°
HAR1CARCATHAT239.3°60.0°
HAR2CARCATHAT182.1°60.0°
HAR2CARCATHAT2158.8°180.0°
HAECAECAIHAI0.4°0.0°
HADCADCAHHAH1.3°0.1°

246704

PDB entries from 2025-12-24

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