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P89

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2AC2sing1.51Å1.53Å
O3C3sing1.36Å1.35Å
C2C3doub1.39Å1.39ÅAromatic
C2N1sing1.32Å1.34ÅAromatic
C3C4sing1.41Å1.39ÅAromatic
N1C6doub1.32Å1.32ÅAromatic
C4C4Asing1.48Å1.39Å
C4C5doub1.40Å1.38ÅAromatic
N4AC4Adoub1.29Å1.30Å
N4ACAsing1.47Å1.33Å
OACCALdoub1.21Å1.23Å
C6C5sing1.38Å1.39ÅAromatic
CAFCAGsing1.53Å1.54Å
CAFCAEsing1.53Å1.54Å
CAGCAHsing1.53Å1.54Å
CALCAsing1.51Å1.51Å
CALCAKsing1.51Å1.53Å
CAHCAIsing1.53Å1.54Å
CAJCAIsing1.53Å1.54Å
CAJCAKsing1.53Å1.54Å
C5C5Asing1.51Å1.52Å
CAECADsing1.53Å1.53Å
C5AOP4sing1.43Å1.40Å
OP4Psing1.61Å1.62Å
CADCAAsing1.53Å1.54Å
OP1Pdoub1.48Å1.48Å
POP3sing1.61Å1.60Å
POP2sing1.61Å1.60Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CADH4sing1.09Å1.10Å
CADH5sing1.09Å1.10Å
CAEH6sing1.09Å1.10Å
CAEH7sing1.09Å1.10Å
CAFH8sing1.09Å1.10Å
CAFH9sing1.09Å1.10Å
CAGH10sing1.09Å1.10Å
CAGH11sing1.09Å1.10Å
CAHH12sing1.09Å1.10Å
CAHH13sing1.09Å1.10Å
CAIH14sing1.09Å1.10Å
CAIH15sing1.09Å1.10Å
CAJH16sing1.09Å1.10Å
CAJH17sing1.09Å1.10Å
CAKH18sing1.09Å1.10Å
CAKH19sing1.09Å1.10Å
CAH20sing1.09Å1.10Å
CAH21sing1.09Å1.10Å
C4AH22sing1.08Å1.08Å
O3H23sing0.97Å0.95Å
C2AH24sing1.09Å1.10Å
C2AH25sing1.09Å1.10Å
C2AH26sing1.09Å1.10Å
C6H27sing1.08Å1.08Å
C5AH28sing1.09Å1.10Å
C5AH29sing1.09Å1.10Å
OP2H30sing0.97Å0.95Å
OP3H31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2AC2C3120.7°119.6°
C2AC2N1119.8°119.6°
C2C2AH24109.5°109.5°
C2C2AH25109.5°109.5°
C2C2AH26109.4°109.5°
O3C3C2120.5°120.6°
O3C3C4119.3°120.5°
C3O3H23109.5°114.0°
C3C2N1119.5°120.8°
C2C3C4120.1°118.9°
C2N1C6121.1°122.2°
C3C4C4A117.6°121.0°
C3C4C5119.1°118.0°
N1C6C5122.2°121.1°
N1C6H27118.9°119.4°
C4AC4C5123.2°121.0°
C4C4AN4A120.0°120.0°
C4C4AH22120.0°120.0°
C4C5C6118.0°119.1°
C4C5C5A123.8°120.5°
C4AN4ACA125.4°120.0°
N4AC4AH22120.0°120.0°
N4ACACAL107.4°109.4°
N4ACAH20110.0°109.5°
N4ACAH21110.0°109.5°
OACCALCA116.4°120.0°
OACCALCAK119.9°120.0°
C6C5C5A118.2°120.5°
C5C6H27118.9°119.5°
CAGCAFCAE113.4°109.5°
CAFCAGCAH111.9°109.5°
CAGCAFH8108.5°109.4°
CAGCAFH9108.5°109.4°
CAFCAGH10108.8°109.5°
CAFCAGH11108.8°109.5°
CAFCAECAD111.9°109.5°
CAFCAEH6108.9°109.5°
CAFCAEH7108.9°109.5°
CAECAFH8108.5°109.5°
CAECAFH9108.5°109.5°
CAGCAHCAI112.2°109.5°
CAHCAGH10108.9°109.5°
CAHCAGH11108.9°109.5°
CAGCAHH12108.8°109.5°
CAGCAHH13108.8°109.5°
CACALCAK123.7°119.9°
CALCAH20110.0°109.5°
CALCAH21110.0°109.5°
CALCAKCAJ108.8°109.5°
CALCAKH18109.6°109.5°
CALCAKH19109.6°109.5°
CAHCAICAJ111.4°109.5°
CAICAHH12108.8°109.5°
CAICAHH13108.8°109.4°
CAHCAIH14109.0°109.5°
CAHCAIH15109.0°109.4°
CAICAJCAK112.1°109.5°
CAJCAIH14109.0°109.4°
CAJCAIH15109.0°109.5°
CAICAJH16108.8°109.5°
CAICAJH17108.8°109.5°
CAKCAJH16108.8°109.4°
CAKCAJH17108.8°109.4°
CAJCAKH18109.6°109.4°
CAJCAKH19109.6°109.4°
C5C5AOP4109.8°109.5°
C5C5AH28109.4°109.5°
C5C5AH29109.4°109.4°
CAECADCAA110.9°109.5°
CAECADH4109.1°109.5°
CAECADH5109.1°109.4°
CADCAEH6108.9°109.5°
CADCAEH7108.9°109.5°
C5AOP4P120.6°123.0°
OP4C5AH28109.4°109.5°
OP4C5AH29109.4°109.5°
OP4POP1111.1°109.5°
OP4POP3103.3°109.4°
OP4POP2107.4°109.5°
CADCAAH1109.5°109.4°
CADCAAH2109.5°109.5°
CADCAAH3109.5°109.4°
CAACADH4109.1°109.5°
CAACADH5109.1°109.5°
OP1POP3116.7°109.5°
OP1POP2110.6°109.5°
OP3POP2107.2°109.5°
POP3H31109.5°114.0°
POP2H30109.5°114.0°
H1CAAH2109.5°109.5°
H1CAAH3109.5°109.4°
H2CAAH3109.5°109.5°
H4CADH5109.5°109.4°
H6CAEH7109.5°109.5°
H8CAFH9109.5°109.5°
H10CAGH11109.5°109.5°
H12CAHH13109.5°109.4°
H14CAIH15109.5°109.5°
H16CAJH17109.5°109.4°
H18CAKH19109.5°109.4°
H20CAH21109.5°109.5°
H24C2AH25109.5°109.4°
H24C2AH26109.5°109.4°
H25C2AH26109.5°109.4°
H28C5AH29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2AC2C3O31.8°0.0°
C2AC2C3N1178.5°180.0°
C2AC2C3C4178.8°180.0°
C2AC2N1C6178.7°180.0°
C2C2AH24H25120.0°120.0°
C2C2AH24H26120.0°120.1°
C2C2AH25H26120.0°120.1°
O3C3C2C4179.4°180.0°
O3C3C2N1179.7°180.0°
O3C3C4C4A1.9°0.0°
O3C3C4C5179.4°179.8°
C3C2N1C60.2°0.0°
C2C3C4C4A177.5°180.0°
C2C3C4C50.1°0.3°
C2C3O3H23180.0°90.0°
C3C2C2AH24178.5°90.0°
C3C2C2AH2561.5°150.0°
C3C2C2AH2658.4°30.0°
N1C2C3C40.4°0.0°
C2N1C6C50.3°0.3°
N1C2C2AH240.0°90.0°
N1C2C2AH25120.0°30.0°
N1C2C2AH26120.0°150.0°
C2N1C6H27179.7°180.0°
C3C4C4AC5177.4°179.7°
C3C4C4AN4A69.6°0.3°
C3C4C5C60.4°0.5°
C3C4C5C5A179.7°179.7°
C3C4C4AH22110.4°179.7°
C4C3O3H230.6°90.1°
N1C6C5C40.6°0.5°
N1C6C5H27180.0°179.7°
N1C6C5C5A179.5°179.7°
C4C4AN4AH22180.0°180.0°
C4C4AN4ACA176.1°180.0°
C4AC4C5C6177.8°179.8°
C4AC4C5C5A2.4°0.0°
C5C4C4AN4A113.0°180.0°
C4C5C6C5A179.8°179.8°
C4C5C5AOP480.9°180.0°
C5C4C4AH2267.0°0.0°
C4C5C6H27179.4°179.8°
C4C5C5AH28159.0°60.0°
C4C5C5AH2939.1°60.0°
C4AN4ACACAL175.2°115.0°
C4AN4ACAH2065.1°5.0°
C4AN4ACAH2155.6°125.0°
N4ACACALOAC0.8°0.0°
N4ACACALH20119.7°120.0°
N4ACACALH21119.7°120.0°
N4ACACALCAK178.6°180.0°
N4ACAH20H21121.0°120.0°
CAN4AC4AH223.9°0.0°
OACCALCACAK179.5°179.9°
OACCALCAKCAJ1.6°0.0°
OACCALCAKH18121.5°120.0°
OACCALCAKH19118.3°120.0°
OACCALCAH20120.5°119.9°
OACCALCAH21118.8°120.0°
C6C5C5AOP499.2°0.2°
C6C5C5AH2820.8°120.2°
C6C5C5AH29140.7°119.8°
CAGCAFCAEH8120.6°120.0°
CAGCAFCAEH9120.6°120.0°
CAFCAGCAHH10120.3°120.0°
CAFCAGCAHH11120.4°120.0°
CAFCAGCAHCAI179.0°180.0°
CAGCAFCAECAD67.5°179.9°
CAGCAFCAEH652.9°60.0°
CAGCAFCAEH7172.1°60.0°
CAGCAFH8H9118.2°119.9°
CAFCAGH10H11118.9°120.0°
CAFCAGCAHH1258.6°60.0°
CAFCAGCAHH1360.6°60.0°
CAECAFCAGCAH80.6°NaN°
CAFCAECADH6120.4°120.0°
CAFCAECADH7120.4°120.0°
CAFCAECADCAA166.3°180.0°
CAFCAECADH446.1°59.9°
CAFCAECADH573.5°60.0°
CAFCAEH6H7118.9°120.0°
CAECAFH8H9118.2°120.1°
CAECAFCAGH1039.7°60.0°
CAECAFCAGH11159.0°60.0°
CAGCAHCAIH12120.4°120.0°
CAGCAHCAIH13120.4°120.0°
CAGCAHCAICAJ177.6°180.0°
CAHCAGCAFH839.9°60.0°
CAHCAGCAFH9158.8°60.0°
CAHCAGH10H11118.9°120.0°
CAGCAHH12H13118.8°120.0°
CAGCAHCAIH1462.1°60.0°
CAGCAHCAIH1557.4°60.0°
CACALCAKCAJ177.9°180.0°
CACALCAKH1858.0°60.0°
CACALCAKH1962.2°60.0°
CALCAH20H21121.0°120.0°
CALCAKCAJCAI171.5°180.0°
CALCAKCAJH18119.9°120.0°
CALCAKCAJH19119.9°120.0°
CALCAKCAJH1651.1°60.0°
CALCAKCAJH1768.1°60.0°
CALCAKH18H19120.3°120.1°
CAKCALCAH2058.9°60.0°
CAKCALCAH2161.7°60.0°
CAHCAICAJH14120.3°120.0°
CAHCAICAJH15120.3°119.9°
CAHCAICAJCAK175.5°180.0°
CAICAHCAGH1060.7°60.0°
CAICAHCAGH1158.6°60.0°
CAICAHH12H13118.8°119.9°
CAHCAIH14H15119.1°120.0°
CAHCAICAJH1664.1°60.0°
CAHCAICAJH1755.1°60.0°
CAICAJCAKH16120.4°120.0°
CAICAJCAKH17120.4°120.0°
CAJCAICAHH1257.2°60.0°
CAJCAICAHH1362.0°60.0°
CAJCAIH14H15119.1°120.1°
CAICAJH16H17118.8°120.0°
CAICAJCAKH1851.6°60.0°
CAICAJCAKH1968.6°60.0°
CAKCAJCAIH1455.2°60.0°
CAKCAJCAIH1564.3°60.0°
CAKCAJH16H17118.8°119.9°
CAJCAKH18H19120.3°119.9°
C5C5AOP4H28120.0°120.0°
C5C5AOP4H29120.1°120.0°
C5C5AOP4P152.4°180.0°
C5AC5C6H270.5°0.0°
C5C5AH28H29119.9°120.0°
CAECADCAAH4120.2°120.0°
CAECADCAAH5120.2°120.0°
CAECADCAAH1180.0°179.9°
CAECADCAAH260.0°60.0°
CAECADCAAH360.0°60.0°
CAECADH4H5119.3°119.9°
CADCAEH6H7118.9°120.0°
CADCAECAFH8171.9°60.0°
CADCAECAFH953.1°60.1°
C5AOP4POP173.8°55.0°
C5AOP4POP3160.4°175.0°
C5AOP4POP247.2°65.0°
OP4C5AH28H29119.9°120.0°
OP4POP1OP3118.0°119.9°
OP4POP1OP2119.1°120.0°
OP4POP3OP2113.2°120.0°
POP4C5AH2887.6°60.0°
POP4C5AH2932.3°60.0°
OP4POP2H30121.4°59.9°
OP4POP3H31122.2°180.0°
CADCAAH1H2120.0°120.0°
CADCAAH1H3120.0°119.9°
CADCAAH2H3120.0°120.0°
CAACADH4H5119.4°120.0°
CAACADCAEH673.3°60.0°
CAACADCAEH746.0°60.0°
OP1POP3OP2124.6°120.0°
OP1POP2H300.0°180.0°
OP1POP3H310.0°60.0°
OP3POP2H30128.2°60.0°
OP2POP3H31124.6°60.0°
H1CAAH2H3120.0°120.0°
H1CAACADH459.8°60.0°
H1CAACADH559.8°60.0°
H2CAACADH4179.8°60.0°
H2CAACADH560.2°180.0°
H3CAACADH460.2°180.0°
H3CAACADH5179.8°59.9°
H4CADCAEH6166.5°180.0°
H4CADCAEH774.2°60.0°
H5CADCAEH646.9°60.0°
H5CADCAEH7166.2°180.0°
H6CAECAFH867.7°180.0°
H6CAECAFH9173.5°60.0°
H7CAECAFH851.5°60.0°
H7CAECAFH967.3°179.9°
H8CAFCAGH10160.3°180.0°
H8CAFCAGH1180.5°60.1°
H9CAFCAGH1080.9°60.0°
H9CAFCAGH1138.4°180.0°
H10CAGCAHH12178.9°180.0°
H10CAGCAHH1359.7°60.0°
H11CAGCAHH1261.8°60.0°
H11CAGCAHH13179.0°180.0°
H12CAHCAIH14177.5°179.9°
H12CAHCAIH1563.0°60.0°
H13CAHCAIH1458.3°60.0°
H13CAHCAIH15177.8°180.0°
H14CAICAJH16175.6°180.0°
H14CAICAJH1765.2°59.9°
H15CAICAJH1656.2°60.0°
H15CAICAJH17175.4°180.0°
H16CAJCAKH1868.8°NaN°
H16CAJCAKH19171.0°60.1°
H17CAJCAKH18172.0°60.1°
H17CAJCAKH1951.8°180.0°
H24C2AH25H26120.0°119.9°

222624

PDB entries from 2024-07-17

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