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7B8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAFCAGdoub1.22Å1.26Å
CBACBBdoub1.38Å1.40ÅAromatic
CBACAHsing1.40Å1.39ÅAromatic
CAGCAHsing1.48Å1.42Å
CAGNAAsing1.35Å1.32Å
CBBCBCsing1.38Å1.41ÅAromatic
CAHCAIdoub1.39Å1.42ÅAromatic
CBCCAJdoub1.39Å1.39ÅAromatic
CAICAJsing1.39Å1.39ÅAromatic
CAJNAKsing1.40Å1.38Å
NAKCALsing1.35Å1.42Å
CALOBDdoub1.21Å1.24Å
CALCAMsing1.51Å1.54Å
CAMCANsing1.53Å1.56Å
OBMCBLdoub1.21Å1.24Å
CANCAOsing1.51Å1.57Å
OBKCBLsing1.35Å1.24Å
CBLCBIsing1.48Å1.38Å
CAONAPsing1.35Å1.36Å
CAOOABdoub1.21Å1.24Å
NAPCAQsing1.47Å1.48Å
CBICBHdoub1.40Å1.38ÅAromatic
CBICBJsing1.40Å1.39ÅAromatic
CBHCBEsing1.38Å1.40ÅAromatic
CAQCARsing1.53Å1.54Å
CBJCBGdoub1.38Å1.40ÅAromatic
CBECBFdoub1.38Å1.39ÅAromatic
CARCASsing1.51Å1.56Å
CBGCBFsing1.38Å1.40ÅAromatic
CBGSAYsing1.76Å1.75Å
CATCASdoub1.35Å1.33ÅAromatic
CATNAUsing1.35Å1.34ÅAromatic
OAESAYdoub1.42Å1.53Å
CASNACsing1.34Å1.33ÅAromatic
SAYOAZdoub1.42Å1.53Å
SAYNAXsing1.66Å1.75Å
CAWCAVsing1.53Å1.54Å
CAWNAXsing1.47Å1.48Å
NAUCAVsing1.47Å1.50Å
NAUNADsing1.29Å1.27ÅAromatic
NACNADdoub1.29Å1.26ÅAromatic
OBKH1sing0.97Å0.95Å
CBJH2sing1.08Å1.08Å
CBHH3sing1.08Å1.08Å
CBEH4sing1.08Å1.08Å
CBFH5sing1.08Å1.08Å
NAXH6sing0.97Å1.00Å
CAWH7sing1.09Å1.10Å
CAWH8sing1.09Å1.10Å
CAVH9sing1.09Å1.10Å
CAVH10sing1.09Å1.10Å
CATH11sing1.08Å1.08Å
CARH12sing1.09Å1.10Å
CARH13sing1.09Å1.10Å
CAQH14sing1.09Å1.10Å
CAQH15sing1.09Å1.10Å
NAPH16sing0.97Å1.00Å
CANH17sing1.09Å1.10Å
CANH18sing1.09Å1.10Å
CAMH19sing1.09Å1.10Å
CAMH20sing1.09Å1.10Å
NAKH21sing0.97Å1.00Å
CAIH22sing1.08Å1.08Å
CBCH23sing1.08Å1.08Å
CBBH24sing1.08Å1.08Å
CBAH25sing1.08Å1.08Å
NAAH26sing0.97Å1.00Å
NAAH27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAFCAGCAH124.1°120.0°
OAFCAGNAA119.5°120.0°
CBBCBACAH118.6°120.0°
CBACBBCBC121.2°120.3°
CBACBBH24119.4°119.8°
CBBCBAH25120.7°120.1°
CBACAHCAG119.3°120.1°
CBACAHCAI118.3°119.8°
CAHCBAH25120.7°120.0°
CAHCAGNAA116.2°120.0°
CAGCAHCAI122.4°120.1°
CAGNAAH26120.0°120.0°
CAGNAAH27120.0°120.0°
CBBCBCCAJ122.2°120.2°
CBBCBCH23118.9°119.9°
CBCCBBH24119.4°119.9°
CAHCAICAJ124.5°119.8°
CAHCAIH22117.7°120.1°
CBCCAJCAI115.2°120.0°
CBCCAJNAK119.2°120.0°
CAJCBCH23118.9°119.9°
CAICAJNAK125.5°120.0°
CAJCAIH22117.8°120.2°
CAJNAKCAL121.9°120.0°
CAJNAKH21119.1°120.0°
NAKCALOBD127.2°120.0°
NAKCALCAM116.3°120.0°
CALNAKH21119.0°120.0°
OBDCALCAM116.4°120.0°
CALCAMCAN113.7°109.5°
CALCAMH19108.4°109.5°
CALCAMH20108.4°109.5°
CAMCANCAO112.5°109.5°
CAMCANH17108.7°109.4°
CAMCANH18108.7°109.5°
CANCAMH19108.4°109.4°
CANCAMH20108.4°109.4°
OBMCBLOBK119.6°120.0°
OBMCBLCBI119.8°120.0°
CANCAONAP115.6°120.0°
CANCAOOAB120.9°120.0°
CAOCANH17108.7°109.5°
CAOCANH18108.7°109.5°
OBKCBLCBI120.6°120.0°
CBLOBKH1109.5°117.0°
CBLCBICBH119.7°120.1°
CBLCBICBJ120.7°120.2°
NAPCAOOAB123.4°120.0°
CAONAPCAQ122.9°120.0°
CAONAPH16118.6°120.0°
NAPCAQCAR113.3°109.5°
NAPCAQH14108.5°109.5°
NAPCAQH15108.5°109.5°
CAQNAPH16118.5°120.0°
CBHCBICBJ119.6°119.7°
CBICBHCBE121.0°119.9°
CBICBHH3119.5°120.1°
CBICBJCBG119.7°119.8°
CBICBJH2120.2°120.1°
CBHCBECBF119.9°120.1°
CBECBHH3119.5°120.1°
CBHCBEH4120.0°119.9°
CAQCARCAS113.8°109.5°
CAQCARH12108.4°109.4°
CAQCARH13108.4°109.5°
CARCAQH14108.5°109.5°
CARCAQH15108.5°109.5°
CBJCBGCBF120.6°120.2°
CBJCBGSAY120.4°119.9°
CBGCBJH2120.1°120.1°
CBECBFCBG119.2°120.3°
CBFCBEH4120.0°119.9°
CBECBFH5120.4°119.8°
CARCASCAT127.6°126.7°
CARCASNAC125.3°126.8°
CASCARH12108.4°109.5°
CASCARH13108.4°109.5°
CBFCBGSAY119.0°120.0°
CBGCBFH5120.4°119.9°
CBGSAYOAE109.1°106.4°
CBGSAYOAZ109.5°106.3°
CBGSAYNAX110.0°107.2°
CASCATNAU105.7°106.2°
CATCASNAC107.1°106.5°
CASCATH11127.1°126.9°
CATNAUCAV126.5°125.9°
CATNAUNAD108.5°108.2°
NAUCATH11127.1°126.9°
OAESAYOAZ109.3°123.2°
OAESAYNAX108.7°106.4°
CASNACNAD108.1°108.9°
OAZSAYNAX110.2°106.4°
SAYNAXCAW114.1°120.0°
SAYNAXH6108.3°120.0°
CAVCAWNAX112.2°109.5°
CAWCAVNAU112.9°109.5°
CAVCAWH7108.8°109.5°
CAVCAWH8108.8°109.5°
CAWCAVH9108.6°109.5°
CAWCAVH10108.6°109.5°
CAWNAXH6108.3°120.0°
NAXCAWH7108.8°109.4°
NAXCAWH8108.8°109.5°
CAVNAUNAD125.0°125.9°
NAUCAVH9108.6°109.4°
NAUCAVH10108.6°109.5°
NAUNADNAC110.6°110.2°
H7CAWH8109.4°109.5°
H9CAVH10109.5°109.5°
H12CARH13109.5°109.5°
H14CAQH15109.5°109.5°
H17CANH18109.5°109.4°
H19CAMH20109.5°109.5°
H26NAAH27120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAFCAGCAHCBA16.0°179.9°
OAFCAGCAHNAA174.6°179.9°
OAFCAGCAHCAI166.3°0.2°
OAFCAGNAAH260.0°180.0°
OAFCAGNAAH27180.0°0.1°
CBBCBACAHH25180.0°179.7°
CBBCBACAHCAG178.6°180.0°
CBACBBCBCH24180.0°179.9°
CBBCBACAHCAI0.8°0.3°
CBACBBCBCCAJ1.6°0.1°
CBACBBCBCH23178.4°180.0°
CBACAHCAGCAI177.7°179.7°
CBACAHCAGNAA158.6°0.0°
CAHCBACBBCBC0.4°0.3°
CBACAHCAICAJ1.0°0.0°
CBACAHCAIH22179.1°179.9°
CAHCBACBBH24179.6°179.7°
CAGCAHCAICAJ178.7°179.7°
CAGCAHCAIH221.4°0.3°
CAGCAHCBAH251.4°0.3°
CAHCAGNAAH26174.9°0.1°
CAHCAGNAAH275.1°180.0°
NAACAGCAHCAI19.0°179.7°
CAGNAAH26H27180.0°179.9°
CBBCBCCAJH23180.0°179.9°
CBBCBCCAJCAI1.4°0.2°
CBBCBCCAJNAK177.5°180.0°
CBCCBBCBAH25179.6°180.0°
CAHCAICAJCBC0.1°0.2°
CAHCAICAJH22180.0°180.0°
CAHCAICAJNAK178.6°180.0°
CAICAHCBAH25179.2°180.0°
CBCCAJCAINAK178.8°179.8°
CBCCAJNAKCAL139.4°145.2°
CBCCAJNAKH2140.6°34.9°
CBCCAJCAIH22179.8°179.8°
CAJCBCCBBH24178.4°180.0°
CAICAJNAKCAL39.3°35.1°
CAICAJNAKH21140.6°144.9°
CAICAJCBCH23178.6°179.7°
CAJNAKCALH21180.0°180.0°
CAJNAKCALOBD8.0°4.6°
CAJNAKCALCAM173.5°175.4°
NAKCAJCAIH221.4°0.0°
NAKCAJCBCH232.5°0.1°
NAKCALOBDCAM178.5°179.9°
NAKCALCAMCAN164.4°180.0°
NAKCALCAMH1943.8°60.1°
NAKCALCAMH2075.0°60.0°
OBDCALCAMCAN14.3°0.1°
OBDCALCAMH19134.9°120.0°
OBDCALCAMH20106.4°119.9°
OBDCALNAKH21172.0°175.4°
CALCAMCANH19120.6°120.0°
CALCAMCANH20120.7°120.1°
CALCAMCANCAO83.6°180.0°
CALCAMCANH1736.8°60.0°
CALCAMCANH18155.9°59.9°
CALCAMH19H20118.1°120.1°
CAMCALNAKH216.5°4.6°
CAMCANCAOH17120.4°120.0°
CAMCANCAOH18120.5°120.0°
CAMCANCAONAP105.5°180.0°
CAMCANCAOOAB78.8°0.0°
CAMCANH17H18118.6°119.9°
CANCAMH19H20118.0°119.9°
OBMCBLOBKCBI179.6°180.0°
OBMCBLCBICBH42.4°180.0°
OBMCBLCBICBJ137.0°0.3°
OBMCBLOBKH10.0°0.0°
CANCAONAPOAB175.6°179.9°
CANCAONAPCAQ178.1°180.0°
CANCAONAPH161.9°0.0°
CAOCANH17H18118.6°120.0°
CAOCANCAMH19155.7°60.0°
CAOCANCAMH2037.0°60.0°
OBKCBLCBICBH138.0°0.0°
OBKCBLCBICBJ42.6°179.7°
CBLCBICBHCBJ179.3°179.7°
CBLCBICBHCBE179.6°180.0°
CBLCBICBJCBG179.6°180.0°
CBICBLOBKH1179.6°180.0°
CBLCBICBJH20.3°0.0°
CBLCBICBHH30.4°0.0°
CAONAPCAQH16180.0°180.0°
CAONAPCAQCAR74.7°180.0°
CAONAPCAQH1445.9°60.0°
CAONAPCAQH15164.8°60.0°
NAPCAOCANH1715.0°60.0°
NAPCAOCANH18134.1°60.0°
OABCAONAPCAQ6.4°0.0°
OABCAONAPH16173.6°180.0°
OABCAOCANH17160.7°120.0°
OABCAOCANH1841.6°120.1°
NAPCAQCARH14120.6°120.0°
NAPCAQCARH15120.6°120.0°
NAPCAQCARCAS166.3°180.0°
NAPCAQCARH1245.7°60.0°
NAPCAQCARH1373.0°60.0°
NAPCAQH14H15118.3°120.0°
CBICBHCBEH3180.0°180.0°
CBHCBICBJCBG0.3°0.3°
CBICBHCBECBF0.1°0.0°
CBHCBICBJH2179.7°179.7°
CBICBHCBEH4179.9°179.9°
CBJCBICBHCBE0.2°0.3°
CBICBJCBGH2180.0°179.9°
CBICBJCBGCBF0.2°0.1°
CBICBJCBGSAY179.6°180.0°
CBJCBICBHH3179.8°179.7°
CBHCBECBFH4180.0°179.9°
CBHCBECBFCBG0.0°0.3°
CBHCBECBFH5180.0°180.0°
CAQCARCASH12120.7°119.9°
CAQCARCASH13120.6°120.0°
CAQCARCASCAT34.2°125.0°
CAQCARCASNAC146.6°54.8°
CAQCARH12H13118.0°120.0°
CARCAQH14H15118.2°120.0°
CARCAQNAPH16105.3°0.0°
CBJCBGCBFCBE0.1°0.2°
CBJCBGCBFSAY179.4°179.9°
CBJCBGSAYOAE4.4°23.6°
CBJCBGSAYOAZ115.2°156.5°
CBJCBGSAYNAX123.6°90.0°
CBJCBGCBFH5179.9°179.9°
CBECBFCBGH5180.0°179.7°
CBECBFCBGSAY179.5°179.7°
CBFCBECBHH3179.9°180.0°
CARCASCATNAC179.3°179.9°
CARCASCATNAU179.4°180.0°
CARCASNACNAD179.6°179.9°
CARCASCATH110.6°0.0°
CASCARH12H13118.0°120.1°
CASCARCAQH1473.1°60.0°
CASCARCAQH1545.8°60.0°
CBFCBGSAYOAE175.0°156.5°
CBFCBGSAYOAZ65.4°23.5°
CBFCBGSAYNAX55.8°89.9°
CBFCBGCBJH2179.7°180.0°
CBGCBFCBEH4180.0°179.8°
CBGSAYOAEOAZ119.7°122.9°
CBGSAYOAENAX120.0°114.1°
CBGSAYOAZNAX121.2°114.0°
CBGSAYNAXCAW35.4°65.0°
SAYCBGCBJH20.3°0.1°
SAYCBGCBFH50.5°0.0°
CBGSAYNAXH685.2°115.0°
CASCATNAUH11180.0°180.0°
CASCATNAUCAV179.5°180.0°
CASCATNAUNAD0.2°0.2°
CATCASNACNAD0.3°0.0°
CATCASCARH1286.4°115.1°
CATCASCARH13154.8°5.0°
NAUCATCASNAC0.1°0.2°
CATNAUCAVCAW49.8°125.3°
CATNAUCAVNAD179.2°179.7°
CATNAUNADNAC0.4°0.3°
CATNAUCAVH970.7°5.3°
CATNAUCAVH10170.3°114.7°
OAESAYOAZNAX119.4°123.0°
OAESAYNAXCAW84.0°178.5°
OAESAYNAXH6155.4°1.5°
CASNACNADNAU0.4°0.2°
NACCASCATH11179.9°179.9°
NACCASCARH1292.8°65.1°
NACCASCARH1326.0°174.8°
OAZSAYNAXCAW156.3°48.5°
OAZSAYNAXH635.6°131.5°
SAYNAXCAWCAV150.0°165.0°
SAYNAXCAWH6120.7°180.0°
SAYNAXCAWH789.5°75.0°
SAYNAXCAWH829.6°45.0°
CAVCAWNAXH7120.4°120.0°
CAVCAWNAXH8120.4°120.0°
CAWCAVNAUH9120.5°120.0°
CAWCAVNAUH10120.5°120.0°
CAWCAVNAUNAD130.9°55.0°
CAVCAWNAXH689.3°15.0°
CAVCAWH7H8118.7°120.0°
CAWCAVH9H10118.4°120.0°
NAXCAWCAVNAU86.7°180.0°
NAXCAWH7H8118.8°120.0°
NAXCAWCAVH9152.8°60.0°
NAXCAWCAVH1033.8°60.0°
CAVNAUNADNAC179.7°180.0°
NAUCAVCAWH7152.8°60.0°
NAUCAVCAWH833.7°60.0°
NAUCAVH9H10118.5°120.0°
CAVNAUCATH110.5°0.0°
NADNAUCAVH9108.6°175.0°
NADNAUCAVH1010.4°65.0°
NADNAUCATH11179.8°179.8°
H3CBHCBEH40.1°0.1°
H4CBECBFH50.0°0.1°
H6NAXCAWH731.1°105.0°
H6NAXCAWH8150.3°135.0°
H7CAWCAVH932.3°180.0°
H7CAWCAVH1086.6°60.0°
H8CAWCAVH986.8°59.9°
H8CAWCAVH10154.2°180.0°
H12CARCAQH14166.3°180.0°
H12CARCAQH1574.9°60.0°
H13CARCAQH1447.5°60.0°
H13CARCAQH15166.4°180.0°
H14CAQNAPH16134.1°120.0°
H15CAQNAPH1615.2°120.0°
H17CANCAMH1983.9°180.0°
H17CANCAMH20157.4°60.1°
H18CANCAMH1935.2°60.1°
H18CANCAMH2083.5°180.0°
H23CBCCBBH241.6°0.1°
H24CBBCBAH250.4°0.0°

227344

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