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7AG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAECAWsing1.53Å1.51Å
CAWCAXsing1.51Å1.45Å
CAWCAVsing1.53Å1.58Å
CAYCAXdoub1.38Å1.42ÅAromatic
CAYCAZsing1.38Å1.42ÅAromatic
CAXCBEsing1.38Å1.38ÅAromatic
CAVNAUsing1.46Å1.48Å
CAZCBGdoub1.38Å1.43ÅAromatic
CBECBFdoub1.38Å1.40ÅAromatic
CBGCBFsing1.38Å1.42ÅAromatic
NAUCATsing1.35Å1.31ÅAromatic
NAUNADsing1.29Å1.11ÅAromatic
CATCASdoub1.35Å1.30ÅAromatic
NADNACdoub1.29Å0.98ÅAromatic
NACCASsing1.34Å1.30ÅAromatic
CASCARsing1.51Å1.55Å
OABCAPdoub1.21Å1.21Å
CARNAQsing1.46Å1.47Å
CAPNAQsing1.35Å1.30Å
CAPCAOsing1.51Å1.60Å
CAOCANsing1.53Å1.55Å
CANCAMsing1.53Å1.58Å
CAMCALsing1.51Å1.56Å
CALOBDdoub1.21Å1.20Å
CALNAKsing1.35Å1.37Å
NAKCAJsing1.40Å1.36Å
CAJCAIdoub1.39Å1.42ÅAromatic
CAJCBCsing1.39Å1.45ÅAromatic
CAICAHsing1.39Å1.43ÅAromatic
CBCCBBdoub1.38Å1.41ÅAromatic
CAHCAGsing1.48Å1.44Å
CAHCBAdoub1.40Å1.43ÅAromatic
CBBCBAsing1.38Å1.39ÅAromatic
NAACAGsing1.35Å1.33Å
CAGOAFdoub1.22Å1.21Å
CAYH1sing1.08Å1.08Å
CAZH2sing1.08Å1.08Å
CBGH3sing1.08Å1.08Å
CBFH4sing1.08Å1.08Å
CBEH5sing1.08Å1.08Å
CAWH6sing1.09Å1.10Å
CAEH7sing1.09Å1.10Å
CAEH8sing1.09Å1.10Å
CAEH9sing1.09Å1.10Å
CAVH10sing1.09Å1.10Å
CAVH11sing1.09Å1.10Å
CATH12sing1.08Å1.08Å
CARH13sing1.09Å1.10Å
CARH14sing1.09Å1.10Å
NAQH15sing0.97Å1.00Å
CAOH16sing1.09Å1.10Å
CAOH17sing1.09Å1.10Å
CANH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
CAMH20sing1.09Å1.10Å
CAMH21sing1.09Å1.10Å
NAKH22sing0.97Å1.00Å
CAIH23sing1.08Å1.08Å
CBCH24sing1.08Å1.08Å
CBBH25sing1.08Å1.08Å
CBAH26sing1.08Å1.08Å
NAAH27sing0.97Å1.00Å
NAAH28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAECAWCAX123.4°109.5°
CAECAWCAV107.3°109.4°
CAECAWH6103.4°109.5°
CAWCAEH7109.5°109.5°
CAWCAEH8109.5°109.4°
CAWCAEH9109.5°109.5°
CAXCAWCAV113.4°109.5°
CAWCAXCAY109.6°120.0°
CAWCAXCBE129.6°120.0°
CAXCAWH6104.0°109.4°
CAWCAVNAU124.5°109.5°
CAVCAWH6102.8°109.5°
CAWCAVH10105.6°109.5°
CAWCAVH11105.6°109.4°
CAXCAYCAZ120.3°120.0°
CAYCAXCBE120.8°120.0°
CAXCAYH1119.9°120.0°
CAYCAZCBG118.6°120.0°
CAZCAYH1119.9°120.0°
CAYCAZH2120.7°120.0°
CAXCBECBF119.9°119.9°
CAXCBEH5120.0°120.0°
CAVNAUCAT131.9°125.9°
CAVNAUNAD118.7°125.9°
NAUCAVH10105.6°109.5°
NAUCAVH11105.6°109.5°
CAZCBGCBF119.3°120.0°
CBGCAZH2120.7°120.1°
CAZCBGH3120.3°120.0°
CBECBFCBG121.1°120.0°
CBECBFH4119.5°120.0°
CBFCBEH5120.0°120.1°
CBFCBGH3120.4°120.0°
CBGCBFH4119.5°120.0°
CATNAUNAD109.4°108.2°
NAUCATCAS99.2°106.2°
NAUCATH12130.4°126.9°
NAUNADNAC117.3°110.2°
CATCASNAC102.4°106.5°
CATCASCAR127.8°126.8°
CASCATH12130.4°126.9°
NADNACCAS111.7°108.9°
NACCASCAR129.9°126.8°
CASCARNAQ108.0°109.5°
CASCARH13109.8°109.5°
CASCARH14109.9°109.5°
OABCAPNAQ120.4°120.0°
OABCAPCAO120.7°120.0°
CARNAQCAP125.4°120.0°
NAQCARH13109.9°109.5°
NAQCARH14109.8°109.5°
CARNAQH15117.3°120.0°
NAQCAPCAO118.8°120.0°
CAPNAQH15117.3°120.0°
CAPCAOCAN107.9°109.5°
CAPCAOH16109.9°109.5°
CAPCAOH17109.8°109.5°
CAOCANCAM110.8°109.5°
CANCAOH16109.9°109.5°
CANCAOH17109.9°109.5°
CAOCANH18109.1°109.4°
CAOCANH19109.1°109.4°
CANCAMCAL113.5°109.5°
CAMCANH18109.1°109.5°
CAMCANH19109.2°109.5°
CANCAMH20108.4°109.4°
CANCAMH21108.4°109.5°
CAMCALOBD121.1°120.0°
CAMCALNAK117.3°120.0°
CALCAMH20108.5°109.4°
CALCAMH21108.5°109.5°
OBDCALNAK121.6°120.0°
CALNAKCAJ126.8°120.0°
CALNAKH22116.6°120.0°
NAKCAJCAI121.0°120.0°
NAKCAJCBC122.1°120.0°
CAJNAKH22116.6°120.0°
CAICAJCBC116.5°120.0°
CAJCAICAH122.6°119.8°
CAJCAIH23118.7°120.1°
CAJCBCCBB122.2°120.2°
CAJCBCH24118.9°119.9°
CAICAHCAG123.6°120.1°
CAICAHCBA117.1°119.8°
CAHCAIH23118.7°120.2°
CBCCBBCBA119.0°120.2°
CBBCBCH24118.9°119.9°
CBCCBBH25120.5°119.9°
CAGCAHCBA119.3°120.1°
CAHCAGNAA118.8°120.0°
CAHCAGOAF119.4°120.0°
CAHCBACBB122.6°120.0°
CAHCBAH26118.7°120.0°
CBACBBH25120.5°119.9°
CBBCBAH26118.7°120.0°
NAACAGOAF121.7°120.0°
CAGNAAH27120.0°120.0°
CAGNAAH28120.0°120.0°
H7CAEH8109.5°109.5°
H7CAEH9109.5°109.5°
H8CAEH9109.5°109.4°
H10CAVH11109.5°109.5°
H13CARH14109.5°109.4°
H16CAOH17109.5°109.4°
H18CANH19109.5°109.5°
H20CAMH21109.5°109.5°
H27NAAH28120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAECAWCAXCAV132.4°120.0°
CAECAWCAXH6116.7°120.0°
CAECAWCAVH6108.6°120.0°
CAECAWCAXCAY111.6°120.0°
CAECAWCAXCBE71.0°60.0°
CAECAWCAVNAU149.1°65.0°
CAWCAEH7H8120.0°120.0°
CAWCAEH7H9120.0°120.1°
CAWCAEH8H9120.0°120.0°
CAECAWCAVH1088.9°55.0°
CAECAWCAVH1127.1°175.0°
CAXCAWCAVH6111.6°120.0°
CAWCAXCAYCBE177.7°180.0°
CAWCAXCAYCAZ178.6°180.0°
CAXCAWCAVNAU9.3°175.0°
CAWCAXCBECBF177.1°179.9°
CAWCAXCAYH11.4°0.3°
CAWCAXCBEH52.9°0.0°
CAXCAWCAEH7180.0°180.0°
CAXCAWCAEH860.0°60.0°
CAXCAWCAEH960.0°59.9°
CAXCAWCAVH10131.4°65.0°
CAXCAWCAVH11112.7°55.0°
CAVCAWCAXCAY116.0°120.0°
CAVCAWCAXCBE61.4°60.0°
CAWCAVNAUH10122.0°120.0°
CAWCAVNAUH11122.0°120.0°
CAWCAVNAUCAT45.9°125.0°
CAWCAVNAUNAD133.4°55.3°
CAVCAWCAEH745.2°60.0°
CAVCAWCAEH8165.2°180.0°
CAVCAWCAEH974.8°60.0°
CAWCAVH10H11113.3°120.0°
CAXCAYCAZH1180.0°179.7°
CAXCAYCAZCBG1.1°0.0°
CAYCAXCBECBF0.1°0.1°
CAXCAYCAZH2178.9°180.0°
CAYCAXCBEH5179.9°180.0°
CAYCAXCAWH65.1°0.0°
CAZCAYCAXCBE0.9°0.1°
CAYCAZCBGH2180.0°179.9°
CAYCAZCBGCBF0.3°0.0°
CAYCAZCBGH3179.7°179.9°
CAXCBECBFH5180.0°179.9°
CAXCBECBFCBG0.9°0.1°
CBECAXCAYH1179.1°179.6°
CAXCBECBFH4179.1°179.9°
CBECAXCAWH6172.3°180.0°
CAVNAUCATNAD179.4°179.8°
CAVNAUCATCAS179.3°179.9°
CAVNAUNADNAC179.3°179.9°
NAUCAVCAWH6102.3°55.0°
NAUCAVH10H11113.2°120.0°
CAVNAUCATH120.7°0.1°
CAZCBGCBFCBE0.6°0.1°
CAZCBGCBFH3180.0°179.9°
CBGCAZCAYH1178.9°179.7°
CAZCBGCBFH4179.3°179.9°
CBECBFCBGH4180.0°180.0°
CBECBFCBGH3179.3°179.9°
CBFCBGCAZH2179.7°180.0°
CBGCBFCBEH5179.2°180.0°
NAUCATCASH12180.0°180.0°
CATNAUNADNAC0.3°0.3°
NAUCATCASNAC0.1°0.2°
NAUCATCASCAR180.0°180.0°
CATNAUCAVH1076.1°4.9°
CATNAUCAVH11168.0°115.1°
NADNAUCATCAS0.2°0.3°
NAUNADNACCAS0.2°0.2°
NADNAUCAVH10104.5°175.3°
NADNAUCAVH1111.4°64.7°
NADNAUCATH12179.8°179.7°
CATCASNACNAD0.1°0.0°
CATCASNACCAR180.0°179.8°
CATCASCARNAQ129.3°94.9°
CATCASCARH13110.9°145.0°
CATCASCARH149.5°25.1°
NADNACCASCAR179.9°179.8°
NACCASCARNAQ50.7°84.8°
NACCASCATH12179.9°179.8°
NACCASCARH1369.1°35.2°
NACCASCARH14170.5°155.1°
CASCARNAQH13119.7°120.0°
CASCARNAQH14119.8°120.1°
CASCARNAQCAP87.8°179.9°
CARCASCATH120.0°0.0°
CASCARH13H14120.7°120.0°
CASCARNAQH1592.2°0.0°
OABCAPNAQCAR0.9°0.1°
OABCAPNAQCAO179.5°179.9°
OABCAPCAOCAN61.3°0.0°
OABCAPNAQH15179.1°180.0°
OABCAPCAOH1658.5°120.0°
OABCAPCAOH17179.0°120.0°
CARNAQCAPH15180.0°179.9°
CARNAQCAPCAO179.7°180.0°
NAQCARH13H14120.7°120.0°
NAQCAPCAOCAN118.2°179.9°
CAPNAQCARH13152.4°59.9°
CAPNAQCARH1432.0°60.0°
NAQCAPCAOH16122.0°59.9°
NAQCAPCAOH171.5°60.0°
CAPCAOCANH16119.8°120.1°
CAPCAOCANH17119.7°120.0°
CAPCAOCANCAM69.0°179.9°
CAOCAPNAQH150.4°0.1°
CAPCAOH16H17120.7°120.0°
CAPCAOCANH1851.2°60.0°
CAPCAOCANH19170.8°60.0°
CAOCANCAMH18120.2°119.9°
CAOCANCAMH19120.2°120.0°
CAOCANCAMCAL69.7°180.0°
CANCAOH16H17120.7°120.0°
CAOCANH18H19119.4°119.9°
CAOCANCAMH2050.9°60.0°
CAOCANCAMH21169.6°60.0°
CANCAMCALH20120.6°119.9°
CANCAMCALH21120.6°120.1°
CANCAMCALOBD15.0°0.1°
CANCAMCALNAK163.0°180.0°
CAMCANCAOH16171.2°60.0°
CAMCANCAOH1750.7°59.9°
CAMCANH18H19119.4°120.1°
CANCAMH20H21118.1°120.0°
CAMCALOBDNAK177.8°180.0°
CAMCALNAKCAJ177.6°175.3°
CALCAMCANH18170.1°60.1°
CALCAMCANH1950.5°60.0°
CALCAMH20H21118.2°120.0°
CAMCALNAKH222.4°4.7°
OBDCALNAKCAJ4.5°4.6°
OBDCALCAMH20135.5°120.0°
OBDCALCAMH21105.7°120.0°
OBDCALNAKH22175.5°175.4°
CALNAKCAJH22180.0°180.0°
CALNAKCAJCAI162.2°35.1°
CALNAKCAJCBC25.4°145.2°
NAKCALCAMH2042.4°60.0°
NAKCALCAMH2176.4°60.0°
NAKCAJCAICBC172.8°179.7°
NAKCAJCAICAH174.9°180.0°
NAKCAJCBCCBB173.8°180.0°
NAKCAJCAIH235.1°0.1°
NAKCAJCBCH246.2°0.0°
CAJCAICAHH23180.0°179.9°
CAICAJCBCCBB1.1°0.3°
CAJCAICAHCAG179.1°179.9°
CAJCAICAHCBA1.7°0.0°
CAICAJNAKH2217.8°144.9°
CAICAJCBCH24178.9°179.7°
CBCCAJCAICAH2.1°0.3°
CAJCBCCBBH24180.0°180.0°
CAJCBCCBBCBA0.2°0.0°
CBCCAJNAKH22154.6°34.8°
CBCCAJCAIH23177.9°179.8°
CAJCBCCBBH25179.8°180.0°
CAICAHCAGCBA179.1°179.9°
CAICAHCBACBB0.3°0.3°
CAICAHCAGNAA29.8°180.0°
CAICAHCAGOAF146.6°0.0°
CAICAHCBAH26179.7°179.9°
CBCCBBCBACAH0.6°0.3°
CBCCBBCBAH25180.0°180.0°
CBCCBBCBAH26179.4°180.0°
CAGCAHCBACBB179.5°179.8°
CAHCAGNAAOAF176.4°179.9°
CAGCAHCAIH230.9°0.0°
CAGCAHCBAH260.5°0.1°
CAHCAGNAAH27176.4°0.1°
CAHCAGNAAH283.6°179.9°
CAHCBACBBH26180.0°179.6°
CBACAHCAGNAA149.3°0.1°
CBACAHCAGOAF34.2°180.0°
CBACAHCAIH23178.2°179.9°
CAHCBACBBH25179.4°179.7°
CBACBBCBCH24179.8°180.0°
CAGNAAH27H28180.0°180.0°
OAFCAGNAAH270.0°180.0°
OAFCAGNAAH28180.0°0.0°
H1CAYCAZH21.1°0.3°
H2CAZCBGH30.3°0.1°
H3CBGCBFH40.7°0.1°
H4CBFCBEH50.9°0.0°
H6CAWCAEH763.0°60.0°
H6CAWCAEH857.0°60.0°
H6CAWCAEH9177.0°179.9°
H6CAWCAVH1019.8°175.0°
H6CAWCAVH11135.7°65.0°
H7CAEH8H9120.0°120.0°
H13CARNAQH1527.6°120.0°
H14CARNAQH15148.0°120.1°
H16CAOCANH1868.6°180.0°
H16CAOCANH1951.0°60.1°
H17CAOCANH18170.9°60.1°
H17CAOCANH1969.5°180.0°
H18CANCAMH2069.3°180.0°
H18CANCAMH2149.5°60.0°
H19CANCAMH20171.0°60.0°
H19CANCAMH2170.2°180.0°
H24CBCCBBH250.2°0.0°
H25CBBCBAH260.6°0.1°

224931

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