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AQ5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2N3doub1.32Å1.33ÅAromatic
C2N1sing1.32Å1.33ÅAromatic
N3C4sing1.33Å1.37ÅAromatic
N1C6doub1.32Å1.33ÅAromatic
CACCABdoub1.36Å1.33ÅAromatic
CACNADsing1.36Å1.34ÅAromatic
C4CABsing1.48Å1.40Å
C4C5doub1.40Å1.39ÅAromatic
C6C5sing1.38Å1.40ÅAromatic
CABCAFsing1.47Å1.42ÅAromatic
NADCAEsing1.38Å1.33ÅAromatic
CAFCAEdoub1.40Å1.41ÅAromatic
CAFCAGsing1.40Å1.41ÅAromatic
CAENAJsing1.33Å1.35ÅAromatic
CAMCALsing1.53Å1.52Å
CAMCANsing1.53Å1.53Å
CALNAKsing1.47Å1.50Å
NAJCAIdoub1.32Å1.32ÅAromatic
CAGNAKsing1.39Å1.41Å
CAGCAHdoub1.39Å1.41ÅAromatic
NAKCAPsing1.47Å1.52Å
CANCAOsing1.53Å1.52Å
CAICAHsing1.38Å1.40ÅAromatic
CAVCAOsing1.53Å1.55Å
CAVCAWsing1.53Å1.51Å
CAPCAOsing1.53Å1.56Å
CAONAZsing1.47Å1.51Å
CAWCAXsing1.53Å1.54Å
NAZCAYsing1.47Å1.47Å
CAXCAYsing1.53Å1.50Å
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
CAVH3sing1.09Å1.10Å
CAVH4sing1.09Å1.10Å
CAWH5sing1.09Å1.10Å
CAWH6sing1.09Å1.10Å
CAXH7sing1.09Å1.10Å
CAXH8sing1.09Å1.10Å
CAYH9sing1.09Å1.10Å
CAYH10sing1.09Å1.10Å
NAZH11sing1.01Å1.00Å
CAPH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CANH16sing1.09Å1.10Å
CAMH17sing1.09Å1.10Å
CAMH18sing1.09Å1.10Å
CALH19sing1.09Å1.10Å
CALH20sing1.09Å1.10Å
CAHH21sing1.08Å1.08Å
CAIH22sing1.08Å1.08Å
NADH23sing0.97Å1.00Å
CACH24sing1.08Å1.08Å
C2H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N3C2N1123.6°121.8°
C2N3C4120.4°120.7°
N3C2H25118.2°119.1°
C2N1C6119.4°121.1°
N1C2H25118.2°119.1°
N3C4CAB123.5°120.6°
N3C4C5116.6°118.8°
N1C6C5119.0°119.2°
N1C6H2120.5°120.4°
CABCACNAD110.6°109.7°
CACCABC4121.7°126.8°
CACCABCAF106.8°106.5°
CABCACH24124.7°125.1°
CACNADCAE109.5°110.4°
CACNADH23125.3°124.8°
NADCACH24124.7°125.2°
CABC4C5119.2°120.6°
C4CABCAF131.2°126.7°
C4C5C6120.6°118.3°
C4C5H1119.7°120.8°
C6C5H1119.7°120.8°
C5C6H2120.5°120.4°
CABCAFCAE105.4°106.2°
CABCAFCAG137.9°134.2°
NADCAECAF107.6°107.3°
NADCAENAJ128.6°132.9°
CAENADH23125.3°124.8°
CAECAFCAG116.7°119.5°
CAFCAENAJ123.8°119.8°
CAFCAGNAK125.8°121.0°
CAFCAGCAH117.4°117.9°
CAENAJCAI120.8°121.9°
CALCAMCAN111.4°109.2°
CAMCALNAK109.9°109.6°
CALCAMH17109.0°109.5°
CALCAMH18109.0°109.5°
CAMCALH19109.4°109.4°
CAMCALH20109.4°109.5°
CAMCANCAO110.1°109.2°
CAMCANH15109.3°109.5°
CAMCANH16109.3°109.6°
CANCAMH17109.0°109.5°
CANCAMH18109.0°109.5°
CALNAKCAG116.4°111.0°
CALNAKCAP116.6°111.2°
NAKCALH19109.4°109.5°
NAKCALH20109.4°109.5°
NAJCAICAH119.2°121.6°
NAJCAIH22120.4°119.3°
NAKCAGCAH116.5°121.1°
CAGNAKCAP121.0°111.0°
CAGCAHCAI122.2°119.3°
CAGCAHH21118.9°120.3°
NAKCAPCAO117.5°109.5°
NAKCAPH13107.4°109.5°
NAKCAPH14107.4°109.5°
CANCAOCAV111.1°109.4°
CANCAOCAP111.5°109.3°
CANCAONAZ104.2°109.5°
CAOCANH15109.3°109.5°
CAOCANH16109.3°109.6°
CAICAHH21118.9°120.4°
CAHCAIH22120.4°119.2°
CAOCAVCAW108.8°109.3°
CAVCAOCAP110.3°109.4°
CAVCAONAZ108.6°109.6°
CAOCAVH3109.7°109.5°
CAOCAVH4109.6°109.5°
CAVCAWCAX108.0°109.2°
CAWCAVH3109.6°109.5°
CAWCAVH4109.6°109.5°
CAVCAWH5109.8°109.5°
CAVCAWH6109.9°109.5°
CAPCAONAZ111.0°109.5°
CAOCAPH13107.4°109.4°
CAOCAPH14107.4°109.4°
CAONAZCAY110.6°111.2°
CAONAZH11109.2°111.0°
CAWCAXCAY108.1°109.3°
CAXCAWH5109.8°109.6°
CAXCAWH6109.8°109.5°
CAWCAXH7109.8°109.5°
CAWCAXH8109.8°109.5°
NAZCAYCAX110.5°109.5°
NAZCAYH9109.2°109.5°
NAZCAYH10109.2°109.5°
CAYNAZH11109.2°111.0°
CAYCAXH7109.8°109.5°
CAYCAXH8109.8°109.5°
CAXCAYH9109.2°109.5°
CAXCAYH10109.2°109.4°
H3CAVH4109.5°109.6°
H5CAWH6109.5°109.6°
H7CAXH8109.5°109.6°
H9CAYH10109.5°109.5°
H13CAPH14109.5°109.5°
H15CANH16109.5°109.5°
H17CAMH18109.4°109.6°
H19CALH20109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N3C2N1H25180.0°179.4°
N3C2N1C60.6°0.3°
C2N3C4CAB177.3°179.7°
C2N3C4C56.6°0.5°
N1C2N3C43.7°0.6°
C2N1C6C50.7°0.0°
C2N1C6H2179.3°180.0°
N3C4CABCAC34.8°130.5°
N3C4CABC5170.4°179.7°
N3C4C5C66.8°0.3°
N3C4CABCAF152.2°49.5°
N3C4C5H1173.2°179.7°
C4N3C2H25176.3°180.0°
N1C6C5C44.0°0.0°
N1C6C5H2180.0°180.0°
N1C6C5H1176.0°180.0°
C6N1C2H25179.4°179.7°
CABCACNADH24180.0°180.0°
CACCABC4CAF173.0°180.0°
CACCABC4C5135.6°49.2°
CABCACNADCAE2.8°0.0°
CACCABCAFCAE2.0°0.0°
CACCABCAFCAG178.9°180.0°
CABCACNADH23177.2°180.0°
NADCACCABC4177.4°180.0°
NADCACCABCAF2.9°0.0°
CACNADCAEH23180.0°180.0°
CACNADCAECAF1.4°0.0°
CACNADCAENAJ179.8°180.0°
CABC4C5C6177.9°180.0°
C4CABCAFCAE175.7°180.0°
C4CABCAFCAG7.3°0.0°
CABC4C5H12.1°0.0°
C4CABCACH242.6°0.0°
C4C5C6H1180.0°180.0°
C5C4CABCAF37.3°130.8°
C4C5C6H2176.0°180.0°
CABCAFCAENAD0.3°0.0°
CABCAFCAECAG177.7°180.0°
CABCAFCAENAJ178.5°180.0°
CABCAFCAGNAK3.3°0.0°
CABCAFCAGCAH177.3°179.7°
CAFCABCACH24177.1°180.0°
NADCAECAFNAJ178.9°180.0°
NADCAECAFCAG178.1°180.0°
NADCAENAJCAI178.7°179.7°
CAENADCACH24177.2°180.0°
CAFCAENAJCAI0.1°0.3°
CAECAFCAGNAK173.4°180.0°
CAECAFCAGCAH0.6°0.3°
CAFCAENADH23178.6°180.0°
CAGCAFCAENAJ0.8°0.0°
CAFCAGNAKCAL55.9°75.4°
CAFCAGNAKCAH174.1°179.7°
CAFCAGNAKCAP152.5°160.4°
CAFCAGCAHCAI0.4°0.3°
CAFCAGCAHH21179.6°179.7°
CAENAJCAICAH1.1°0.3°
CAENAJCAIH22178.9°179.6°
NAJCAENADH230.2°0.0°
CALCAMCANH17120.3°119.9°
CALCAMCANH18120.3°119.9°
CAMCALNAKH19120.1°120.0°
CAMCALNAKH20120.1°120.1°
CAMCALNAKCAG162.7°174.2°
CAMCALNAKCAP44.5°61.7°
CALCAMCANCAO64.8°57.7°
CALCAMCANH1555.3°177.6°
CALCAMCANH16175.1°62.3°
CALCAMH17H18119.1°120.2°
CAMCALH19H20119.8°119.9°
CANCAMCALNAK60.3°59.2°
CAMCANCAOH15120.1°119.9°
CAMCANCAOH16120.1°120.0°
CAMCANCAOCAV73.2°62.1°
CAMCANCAOCAP50.2°57.7°
CAMCANCAONAZ170.0°177.7°
CAMCANH15H16119.7°120.2°
CANCAMH17H18119.2°120.1°
CANCAMCALH19179.6°179.2°
CANCAMCALH2059.8°60.9°
CALNAKCAGCAP151.6°124.2°
CALNAKCAGCAH118.1°104.3°
CALNAKCAPCAO33.9°61.7°
CALNAKCAPH13155.0°58.3°
CALNAKCAPH1487.3°178.3°
NAKCALCAMH17179.4°60.7°
NAKCALCAMH1860.0°179.1°
NAKCALH19H20119.8°120.0°
NAJCAICAHCAG1.3°0.0°
NAJCAICAHH22180.0°180.0°
NAJCAICAHH21178.7°180.0°
NAKCAGCAHCAI175.0°180.0°
CAGNAKCAPCAO174.6°174.2°
CAGNAKCAPH1353.4°65.9°
CAGNAKCAPH1464.2°54.2°
CAGNAKCALH1942.6°54.2°
CAGNAKCALH2077.2°65.8°
NAKCAGCAHH215.0°0.0°
CAHCAGNAKCAP33.5°19.9°
CAGCAHCAIH21180.0°180.0°
CAGCAHCAIH22178.7°180.0°
NAKCAPCAOCAN36.1°59.2°
NAKCAPCAOCAV87.8°60.6°
NAKCAPCAOH13121.2°120.0°
NAKCAPCAOH14121.1°120.1°
NAKCAPCAONAZ151.8°179.2°
NAKCAPH13H14116.3°120.1°
CAPNAKCALH19164.5°178.3°
CAPNAKCALH2075.6°58.4°
CANCAOCAVCAP124.1°119.7°
CANCAOCAVNAZ114.0°120.1°
CANCAOCAVCAW173.7°179.2°
CANCAOCAPNAZ115.7°120.0°
CANCAONAZCAY177.4°178.3°
CANCAOCAVH353.8°60.8°
CANCAOCAVH466.4°59.3°
CANCAONAZH1162.5°54.1°
CANCAOCAPH13157.3°60.8°
CANCAOCAPH1485.0°179.3°
CAOCANH15H16119.7°120.2°
CAOCANCAMH17174.9°62.3°
CAOCANCAMH1855.4°177.6°
CAOCAVCAWH3119.9°119.9°
CAOCAVCAWH4119.9°119.9°
CAVCAOCAPNAZ120.4°120.2°
CAOCAVCAWCAX61.6°57.6°
CAVCAONAZCAY58.8°61.7°
CAOCAVH3H4120.3°120.1°
CAOCAVCAWH5178.6°177.6°
CAOCAVCAWH658.1°62.3°
CAVCAONAZH11179.0°174.2°
CAVCAOCAPH1333.3°179.4°
CAVCAOCAPH14151.0°59.5°
CAVCAOCANH15166.7°57.8°
CAVCAOCANH1646.9°177.9°
CAWCAVCAOCAP62.2°61.1°
CAWCAVCAONAZ59.7°59.1°
CAVCAWCAXH5119.8°119.9°
CAVCAWCAXH6119.8°119.8°
CAVCAWCAXCAY62.3°57.7°
CAWCAVH3H4120.3°120.1°
CAVCAWH5H6120.7°120.1°
CAVCAWCAXH757.5°62.3°
CAVCAWCAXH8177.9°177.6°
CAPCAONAZCAY62.5°58.4°
CAPCAOCAVH3177.9°58.9°
CAPCAOCAVH457.7°179.0°
CAPCAONAZH1157.6°65.8°
CAOCAPH13H14116.4°119.9°
CAPCAOCANH1569.9°177.6°
CAPCAOCANH16170.3°62.3°
CAONAZCAYH11120.2°124.1°
CAONAZCAYCAX61.1°61.7°
NAZCAOCAVH360.3°179.0°
NAZCAOCAVH4179.5°60.8°
CAONAZCAYH959.1°178.3°
CAONAZCAYH10178.7°58.3°
NAZCAOCAPH1387.1°59.2°
NAZCAOCAPH1430.6°60.7°
NAZCAOCANH1549.9°62.4°
NAZCAOCANH1669.9°57.8°
CAWCAXCAYNAZ62.0°59.2°
CAWCAXCAYH7119.8°120.0°
CAWCAXCAYH8119.8°119.9°
CAXCAWCAVH358.3°177.5°
CAXCAWCAVH4178.5°62.3°
CAXCAWH5H6120.7°120.2°
CAWCAXH7H8120.6°120.1°
CAWCAXCAYH958.2°179.2°
CAWCAXCAYH10177.9°60.8°
NAZCAYCAXH9120.2°120.0°
NAZCAYCAXH10120.2°120.0°
NAZCAYCAXH757.8°60.8°
NAZCAYCAXH8178.2°179.1°
NAZCAYH9H10119.5°120.0°
CAYCAXCAWH5177.9°177.6°
CAYCAXCAWH657.5°62.2°
CAYCAXH7H8120.6°120.1°
CAXCAYH9H10119.5°120.0°
CAXCAYNAZH11178.7°174.2°
H1C5C6H24.0°0.0°
H3CAVCAWH561.4°62.5°
H3CAVCAWH6178.1°57.6°
H4CAVCAWH558.7°57.7°
H4CAVCAWH661.7°177.8°
H5CAWCAXH762.3°57.6°
H5CAWCAXH858.2°62.5°
H6CAWCAXH7177.3°177.9°
H6CAWCAXH862.3°57.7°
H7CAXCAYH9178.0°59.3°
H7CAXCAYH1062.3°179.2°
H8CAXCAYH961.6°60.9°
H8CAXCAYH1058.1°59.1°
H9CAYNAZH1161.1°54.2°
H10CAYNAZH1158.5°65.8°
H15CANCAMH1765.1°57.6°
H15CANCAMH18175.5°62.5°
H16CANCAMH1754.8°177.8°
H16CANCAMH1864.7°57.6°
H17CAMCALH1959.3°59.3°
H17CAMCALH2060.5°179.2°
H18CAMCALH1960.1°60.9°
H18CAMCALH20179.9°59.0°
H21CAHCAIH221.3°0.0°
H23NADCACH242.8°0.1°

225946

PDB entries from 2024-10-09

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