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7GJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8N7sing1.35Å1.32ÅAromatic
C8N9doub1.30Å1.34ÅAromatic
N7C5sing1.38Å1.37ÅAromatic
CAJCALsing1.53Å1.64Å
CAJCAIsing1.53Å1.58Å
N9C4sing1.35Å1.36ÅAromatic
CALCBBsing1.53Å1.53Å
CAICAKsing1.53Å1.53Å
C5C4doub1.40Å1.39ÅAromatic
C5C6sing1.39Å1.40ÅAromatic
O6C6sing1.36Å1.44Å
O6CANsing1.43Å1.50Å
C4N3sing1.34Å1.38ÅAromatic
C6N1doub1.33Å1.36ÅAromatic
CBBCANsing1.53Å1.52Å
CBBCAMsing1.53Å1.59Å
CAKCAMsing1.53Å1.64Å
N3C2doub1.32Å1.30ÅAromatic
N1C2sing1.33Å1.33ÅAromatic
C2N2sing1.39Å1.43Å
CAANBCsing1.46Å1.45Å
N2CAVsing1.40Å1.44Å
CABNBCsing1.46Å1.45Å
NBCCAUsing1.35Å1.46Å
CAHCAVdoub1.39Å1.41ÅAromatic
CAHCAWsing1.40Å1.41ÅAromatic
CAVCAEsing1.39Å1.40ÅAromatic
CAUCAWsing1.48Å1.55Å
CAUOACdoub1.22Å1.22Å
CAWCAFdoub1.40Å1.40ÅAromatic
CAECADdoub1.38Å1.40ÅAromatic
CAFCADsing1.38Å1.40ÅAromatic
C8H1sing1.08Å1.08Å
N2H2sing0.97Å1.00Å
CALH3sing1.09Å1.10Å
CALH4sing1.09Å1.10Å
CAJH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CAIH7sing1.09Å1.10Å
CAIH8sing1.09Å1.10Å
CAKH9sing1.09Å1.10Å
CAKH10sing1.09Å1.10Å
CAMH11sing1.09Å1.10Å
CAMH12sing1.09Å1.10Å
CBBH13sing1.09Å1.10Å
CANH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
N7H16sing0.97Å1.00Å
CAHH18sing1.08Å1.08Å
CAEH19sing1.08Å1.08Å
CADH20sing1.08Å1.08Å
CAFH21sing1.08Å1.08Å
CABH22sing1.09Å1.10Å
CABH23sing1.09Å1.10Å
CABH24sing1.09Å1.10Å
CAAH25sing1.09Å1.10Å
CAAH26sing1.09Å1.10Å
CAAH27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N7C8N9109.1°110.1°
C8N7C5108.2°107.2°
N7C8H1125.4°124.9°
C8N7H16125.9°126.4°
C8N9C4109.7°109.9°
N9C8H1125.5°125.0°
N7C5C4107.8°106.0°
N7C5C6133.1°135.2°
C5N7H16125.9°126.5°
CALCAJCAI110.4°109.4°
CAJCALCBB111.5°109.5°
CAJCALH3109.0°109.5°
CAJCALH4109.0°109.4°
CALCAJH5109.2°109.5°
CALCAJH6109.3°109.4°
CAJCAICAK109.7°109.5°
CAICAJH5109.3°109.5°
CAICAJH6109.2°109.5°
CAJCAIH7109.4°109.5°
CAJCAIH8109.4°109.4°
N9C4C5105.3°106.9°
N9C4N3136.9°134.4°
CALCBBCAN109.9°109.5°
CALCBBCAM113.0°109.5°
CBBCALH3109.0°109.5°
CBBCALH4109.0°109.5°
CALCBBH13108.8°109.5°
CAICAKCAM112.9°109.4°
CAKCAIH7109.4°109.5°
CAKCAIH8109.4°109.5°
CAICAKH9108.6°109.5°
CAICAKH10108.6°109.5°
C4C5C6119.1°118.8°
C5C4N3117.8°118.7°
C5C6O6119.4°120.7°
C5C6N1118.7°118.6°
C6O6CAN112.6°117.0°
O6C6N1121.9°120.7°
O6CANCBB110.0°109.5°
O6CANH14109.3°109.5°
O6CANH15109.4°109.5°
C4N3C2122.2°120.5°
C6N1C2121.2°121.1°
CANCBBCAM107.9°109.5°
CANCBBH13109.0°109.4°
CBBCANH14109.3°109.5°
CBBCANH15109.3°109.5°
CBBCAMCAK116.0°109.5°
CBBCAMH11107.8°109.5°
CBBCAMH12107.8°109.5°
CAMCBBH13108.1°109.5°
CAMCAKH9108.6°109.5°
CAMCAKH10108.6°109.5°
CAKCAMH11107.8°109.4°
CAKCAMH12107.8°109.5°
N3C2N1121.0°122.3°
N3C2N2116.5°118.9°
N1C2N2122.5°118.8°
C2N2CAV127.6°120.0°
C2N2H2116.2°120.0°
CAANBCCAB119.0°120.0°
CAANBCCAU122.2°120.0°
NBCCAAH25109.5°109.4°
NBCCAAH26109.4°109.5°
NBCCAAH27109.4°109.5°
N2CAVCAH123.1°120.0°
N2CAVCAE117.4°120.0°
CAVN2H2116.2°120.0°
CABNBCCAU118.8°120.0°
NBCCABH22109.5°109.5°
NBCCABH23109.4°109.5°
NBCCABH24109.5°109.5°
NBCCAUCAW124.1°120.0°
NBCCAUOAC118.6°120.0°
CAVCAHCAW120.1°119.7°
CAHCAVCAE119.5°120.0°
CAVCAHH18119.9°120.2°
CAHCAWCAU121.6°120.1°
CAHCAWCAF120.1°119.8°
CAWCAHH18120.0°120.1°
CAVCAECAD120.2°120.2°
CAVCAEH19119.9°119.9°
CAWCAUOAC117.3°120.0°
CAUCAWCAF118.3°120.1°
CAWCAFCAD119.8°120.0°
CAWCAFH21120.1°120.0°
CAECADCAF120.2°120.2°
CADCAEH19119.9°119.9°
CAECADH20119.9°119.9°
CAFCADH20119.9°119.9°
CADCAFH21120.0°120.0°
H3CALH4109.5°109.5°
H5CAJH6109.5°109.5°
H7CAIH8109.5°109.4°
H9CAKH10109.5°109.5°
H11CAMH12109.5°109.5°
H14CANH15109.5°109.5°
H22CABH23109.5°109.4°
H22CABH24109.5°109.4°
H23CABH24109.5°109.5°
H25CAAH26109.5°109.4°
H25CAAH27109.5°109.4°
H26CAAH27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N7C8N9H1180.0°179.8°
C8N7C5H16180.0°179.9°
N7C8N9C40.7°0.3°
C8N7C5C40.1°0.0°
C8N7C5C6179.8°180.0°
N9C8N7C50.5°0.1°
C8N9C4C50.6°0.3°
C8N9C4N3179.5°179.9°
N9C8N7H16179.5°180.0°
N7C5C4N90.3°0.2°
N7C5C4C6180.0°180.0°
N7C5C6O60.1°0.0°
N7C5C4N3179.8°180.0°
N7C5C6N1179.7°179.9°
C5N7C8H1179.5°180.0°
CALCAJCAIH5120.1°120.1°
CALCAJCAIH6120.2°119.9°
CAJCALCBBH3120.3°120.0°
CAJCALCBBH4120.3°120.0°
CALCAJCAICAK61.7°60.0°
CAJCALCBBCAN169.5°180.0°
CAJCALCBBCAM49.0°60.0°
CAJCALH3H4119.1°119.9°
CALCAJH5H6119.6°120.0°
CALCAJCAIH758.3°60.1°
CALCAJCAIH8178.2°180.0°
CAJCALCBBH1371.2°60.1°
CAICAJCALCBB60.4°59.9°
CAJCAICAKH7120.1°120.0°
CAJCAICAKH8120.0°120.0°
CAJCAICAKCAM52.8°60.0°
CAICAJCALH3179.3°180.0°
CAICAJCALH459.9°60.1°
CAICAJH5H6119.6°120.0°
CAJCAIH7H8119.9°119.9°
CAJCAICAKH9173.3°180.0°
CAJCAICAKH1067.7°60.0°
N9C4C5N3180.0°179.8°
N9C4C5C6179.8°179.8°
N9C4N3C2179.3°179.8°
C4N9C8H1179.3°179.9°
CALCBBCANO636.7°174.9°
CALCBBCANCAM123.6°120.0°
CALCBBCANH13119.2°120.0°
CALCBBCAMH13120.5°120.0°
CALCBBCAMCAK41.2°60.0°
CBBCALH3H4119.1°120.0°
CBBCALCAJH5179.4°180.0°
CBBCALCAJH659.7°60.0°
CALCBBCAMH11162.2°60.0°
CALCBBCAMH1279.7°180.0°
CALCBBCANH14156.8°55.0°
CALCBBCANH1583.3°65.0°
CAICAKCAMCBB43.4°60.0°
CAICAKCAMH9120.5°120.0°
CAICAKCAMH10120.5°120.0°
CAKCAICAJH5178.1°179.9°
CAKCAICAJH658.4°59.9°
CAKCAIH7H8119.9°120.0°
CAICAKH9H10118.5°120.1°
CAICAKCAMH11164.3°60.0°
CAICAKCAMH1277.6°180.0°
C4C5C6O6180.0°180.0°
C4C5C6N10.2°0.0°
C5C4N3C20.6°0.0°
C4C5N7H16179.9°179.8°
C5C6O6N1179.8°179.9°
C5C6O6CAN175.2°180.0°
C6C5C4N30.2°0.0°
C5C6N1C20.7°0.1°
C6C5N7H160.2°0.2°
C6O6CANCBB158.1°180.0°
O6C6N1C2179.6°180.0°
C6O6CANH1438.1°60.1°
C6O6CANH1581.8°59.9°
CANO6C6N15.0°0.1°
O6CANCBBH14120.1°120.0°
O6CANCBBH15120.1°120.1°
O6CANCBBCAM160.3°65.0°
O6CANCBBH1382.5°55.0°
O6CANH14H15119.8°120.0°
C4N3C2N11.1°0.0°
C4N3C2N2179.7°180.0°
C6N1C2N31.1°0.1°
C6N1C2N2179.8°179.9°
CANCBBCAMH13117.8°120.0°
CANCBBCAMCAK162.9°180.0°
CANCBBCALH370.2°60.0°
CANCBBCALH449.2°60.0°
CANCBBCAMH1176.2°60.0°
CANCBBCAMH1241.9°60.0°
CBBCANH14H15119.7°120.0°
CBBCAMCAKH11121.0°120.0°
CBBCAMCAKH12120.9°120.0°
CAMCBBCALH3169.3°180.0°
CAMCBBCALH471.3°60.0°
CBBCAMCAKH9163.9°180.0°
CBBCAMCAKH1077.1°60.0°
CBBCAMH11H12117.0°120.0°
CAMCBBCANH1479.6°175.0°
CAMCBBCANH1540.2°55.0°
CAMCAKCAIH767.3°60.0°
CAMCAKCAIH8172.8°180.0°
CAMCAKH9H10118.4°120.0°
CAKCAMH11H12117.0°120.0°
CAKCAMCBBH1379.3°60.0°
N3C2N1N2179.2°180.0°
N3C2N2CAV173.5°6.2°
N3C2N2H26.5°173.9°
N1C2N2CAV7.3°173.8°
N1C2N2H2172.7°6.1°
C2N2CAVH2180.0°180.0°
C2N2CAVCAH2.6°39.1°
C2N2CAVCAE177.7°141.2°
CAANBCCABCAU179.2°179.9°
CAANBCCAUCAW0.4°10.6°
CAANBCCAUOAC179.5°169.5°
CAANBCCABH22180.0°90.0°
CAANBCCABH2360.0°30.0°
CAANBCCABH2460.0°150.1°
NBCCAAH25H26120.0°120.0°
NBCCAAH25H27120.0°120.0°
NBCCAAH26H27120.0°120.1°
N2CAVCAHCAE179.7°179.7°
N2CAVCAHCAW179.3°180.0°
N2CAVCAECAD179.6°180.0°
N2CAVCAHH180.7°0.1°
N2CAVCAEH190.4°0.0°
CABNBCCAUCAW179.6°169.5°
CABNBCCAUOAC0.3°10.5°
NBCCABH22H23120.0°120.0°
NBCCABH22H24120.0°120.0°
NBCCABH23H24119.9°120.0°
CABNBCCAAH25180.0°127.6°
CABNBCCAAH2660.0°7.7°
CABNBCCAAH2760.0°112.4°
NBCCAUCAWCAH58.6°158.0°
NBCCAUCAWOAC179.9°180.0°
NBCCAUCAWCAF123.3°22.0°
CAUNBCCABH220.8°90.0°
CAUNBCCABH23119.2°150.1°
CAUNBCCABH24120.8°30.0°
CAUNBCCAAH250.9°52.4°
CAUNBCCAAH26120.9°172.4°
CAUNBCCAAH27119.2°67.5°
CAVCAHCAWH18180.0°179.9°
CAVCAHCAWCAU179.5°180.0°
CAVCAHCAWCAF1.4°0.0°
CAHCAVCAECAD0.1°0.3°
CAHCAVN2H2177.4°140.8°
CAHCAVCAEH19179.9°179.7°
CAWCAHCAVCAE1.0°0.3°
CAHCAWCAUCAF178.1°180.0°
CAHCAWCAUOAC121.6°21.9°
CAHCAWCAFCAD0.7°0.2°
CAHCAWCAFH21179.2°179.9°
CAVCAECADH19180.0°180.0°
CAVCAECADCAF0.8°0.0°
CAECAVN2H22.4°38.9°
CAECAVCAHH18179.0°179.8°
CAVCAECADH20179.2°180.0°
CAUCAWCAFCAD178.9°179.7°
CAUCAWCAHH180.5°0.1°
CAUCAWCAFH211.1°0.1°
OACCAUCAWCAF56.5°158.1°
CAWCAFCADCAE0.4°0.3°
CAWCAFCADH21180.0°179.7°
CAFCAWCAHH18178.6°179.9°
CAWCAFCADH20179.6°179.7°
CAECADCAFH20180.0°180.0°
CAECADCAFH21179.7°180.0°
CAFCADCAEH19179.2°180.0°
H1C8N7H160.5°0.2°
H3CALCAJH559.1°60.0°
H3CALCAJH660.6°60.0°
H3CALCBBH1349.1°59.9°
H4CALCAJH560.3°60.0°
H4CALCAJH6180.0°180.0°
H4CALCBBH13168.5°180.0°
H5CAJCAIH761.8°60.0°
H5CAJCAIH858.1°59.9°
H6CAJCAIH7178.4°180.0°
H6CAJCAIH861.6°60.1°
H7CAICAKH953.2°60.0°
H7CAICAKH10172.2°180.0°
H8CAICAKH966.7°60.0°
H8CAICAKH1052.3°60.0°
H9CAKCAMH1175.2°60.0°
H9CAKCAMH1242.9°60.0°
H10CAKCAMH1143.8°180.0°
H10CAKCAMH12161.9°60.0°
H11CAMCBBH1341.6°NaN°
H12CAMCBBH13159.8°60.0°
H13CBBCANH1437.6°65.0°
H13CBBCANH15157.5°175.0°
H19CAECADH200.8°0.0°
H20CADCAFH210.3°0.1°
H22CABH23H24120.0°120.0°
H25CAAH26H27120.0°119.9°

227344

PDB entries from 2024-11-13

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