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NZ8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLKCBJsing1.74Å1.76Å
FACCABsing1.40Å1.36Å
CBJCBIdoub1.38Å1.38ÅAromatic
CBJCAEsing1.38Å1.37ÅAromatic
CBICBHsing1.38Å1.38ÅAromatic
CABCAEsing1.51Å1.53Å
CABFADsing1.40Å1.36Å
CABFAAsing1.40Å1.39Å
CAECAFdoub1.38Å1.38ÅAromatic
CBHCAGdoub1.39Å1.39ÅAromatic
CAFCAGsing1.39Å1.38ÅAromatic
CAGNAHsing1.40Å1.42Å
NAHCAIsing1.35Å1.42Å
CAIOAJdoub1.22Å1.18Å
CAINAKsing1.35Å1.45Å
NAKCALsing1.40Å1.44Å
CALCAMdoub1.39Å1.39ÅAromatic
CALCBAsing1.39Å1.38ÅAromatic
CAMCANsing1.38Å1.38ÅAromatic
CBACAZdoub1.39Å1.41ÅAromatic
CANCAOdoub1.39Å1.42ÅAromatic
CAZCAOsing1.39Å1.38ÅAromatic
CAZOAYsing1.36Å1.41Å
CAONAPsing1.40Å1.48Å
OAYCAXsing1.35Å1.42Å
CBCCBDdoub1.38Å1.39ÅAromatic
CBCCBBsing1.39Å1.40ÅAromatic
NAWCAXdoub1.32Å1.36ÅAromatic
NAWCAVsing1.32Å1.32ÅAromatic
CAXCASsing1.40Å1.37ÅAromatic
CBDNBEsing1.32Å1.32ÅAromatic
NAPCBBsing1.39Å1.47Å
NAPCAQsing1.33Å1.44Å
CAVCAUdoub1.38Å1.40ÅAromatic
CBBCBGdoub1.39Å1.39ÅAromatic
CASCAQsing1.47Å1.54Å
CASCATdoub1.40Å1.41ÅAromatic
NBECBFdoub1.32Å1.31ÅAromatic
CAQOARdoub1.22Å1.17Å
CAUCATsing1.38Å1.40ÅAromatic
CBGCBFsing1.38Å1.38ÅAromatic
CAFH1sing1.08Å1.08Å
CAMH2sing1.08Å1.08Å
CANH3sing1.08Å1.08Å
CATH4sing1.08Å1.08Å
CAUH5sing1.08Å1.08Å
CAVH6sing1.08Å1.08Å
CBAH7sing1.08Å1.08Å
CBCH8sing1.08Å1.08Å
CBDH9sing1.08Å1.08Å
CBFH10sing1.08Å1.08Å
CBGH11sing1.08Å1.08Å
CBHH12sing1.08Å1.08Å
CBIH13sing1.08Å1.08Å
NAHH14sing0.97Å1.00Å
NAKH15sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLKCBJCBI121.0°119.9°
CLKCBJCAE116.3°119.9°
FACCABCAE106.1°109.5°
FACCABFAD107.0°109.5°
FACCABFAA112.5°109.5°
CBICBJCAE122.7°120.1°
CBJCBICBH119.1°120.1°
CBJCBIH13120.5°120.0°
CBJCAECAB117.8°120.0°
CBJCAECAF118.8°120.1°
CBICBHCAG117.9°119.9°
CBICBHH12121.0°120.0°
CBHCBIH13120.4°119.9°
CAECABFAD108.7°109.5°
CAECABFAA113.0°109.5°
CABCAECAF123.4°120.0°
FADCABFAA109.1°109.5°
CAECAFCAG118.7°119.9°
CAECAFH1120.6°120.0°
CBHCAGCAF122.7°119.9°
CBHCAGNAH116.0°120.1°
CAGCBHH12121.0°120.0°
CAFCAGNAH121.2°120.0°
CAGCAFH1120.6°120.1°
CAGNAHCAI123.8°120.0°
CAGNAHH14118.1°120.1°
NAHCAIOAJ121.0°120.0°
NAHCAINAK113.6°120.0°
CAINAHH14118.1°120.0°
OAJCAINAK125.4°120.0°
CAINAKCAL122.2°120.0°
CAINAKH15118.9°120.0°
NAKCALCAM121.8°120.0°
NAKCALCBA116.3°120.1°
CALNAKH15118.9°120.0°
CAMCALCBA121.8°119.9°
CALCAMCAN120.4°120.0°
CALCAMH2119.8°120.0°
CALCBACAZ117.6°120.2°
CALCBAH7121.2°119.9°
CAMCANCAO119.0°120.4°
CANCAMH2119.8°120.0°
CAMCANH3120.5°119.7°
CBACAZCAO121.6°119.9°
CBACAZOAY117.3°118.7°
CAZCBAH7121.2°119.9°
CANCAOCAZ119.6°119.7°
CANCAONAP119.9°118.8°
CAOCANH3120.5°119.9°
CAOCAZOAY121.1°121.4°
CAZCAONAP120.4°121.5°
CAZOAYCAX110.2°118.4°
CAONAPCBB118.4°117.0°
CAONAPCAQ123.4°126.1°
OAYCAXNAW118.0°119.6°
OAYCAXCAS120.7°120.2°
CBDCBCCBB119.4°119.1°
CBCCBDNBE122.2°120.9°
CBDCBCH8120.3°120.5°
CBCCBDH9118.9°119.6°
CBCCBBNAP121.6°120.9°
CBCCBBCBG115.5°118.2°
CBBCBCH8120.3°120.4°
CAXNAWCAV121.0°121.9°
NAWCAXCAS121.3°120.2°
NAWCAVCAU120.2°121.2°
NAWCAVH6119.9°119.4°
CAXCASCAQ121.0°121.0°
CAXCASCAT119.7°118.9°
CBDNBECBF120.5°121.9°
NBECBDH9118.9°119.6°
CBBNAPCAQ118.2°117.0°
NAPCBBCBG122.8°120.8°
NAPCAQCAS121.6°124.9°
NAPCAQOAR121.7°117.5°
CAVCAUCAT121.0°119.4°
CAVCAUH5119.5°120.3°
CAUCAVH6119.9°119.4°
CBBCBGCBF121.9°119.1°
CBBCBGH11119.0°120.5°
CAQCASCAT119.2°120.1°
CASCAQOAR116.5°117.5°
CASCATCAU116.7°118.4°
CASCATH4121.6°120.8°
NBECBFCBG120.4°120.9°
NBECBFH10119.8°119.6°
CAUCATH4121.6°120.8°
CATCAUH5119.5°120.3°
CBGCBFH10119.8°119.6°
CBFCBGH11119.0°120.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLKCBJCBICAE179.4°179.4°
CLKCBJCBICBH178.5°179.9°
CLKCBJCAECAB0.9°0.3°
CLKCBJCAECAF179.8°180.0°
CLKCBJCBIH131.5°0.2°
FACCABCAECBJ47.1°59.7°
FACCABCAEFAD114.8°120.0°
FACCABCAEFAA123.8°120.0°
FACCABFADFAA122.0°120.0°
FACCABCAECAF132.3°120.0°
CBJCBICBHH13180.0°179.8°
CBICBJCAECAB179.8°179.8°
CBICBJCAECAF0.4°0.6°
CBJCBICBHCAG1.8°0.2°
CBJCBICBHH12178.2°179.7°
CAECBJCBICBH0.9°0.5°
CBJCAECABCAF179.4°179.7°
CBJCAECABFAD67.7°179.7°
CBJCAECABFAA170.9°60.3°
CBJCAECAFCAG0.7°0.3°
CBJCAECAFH1179.3°179.7°
CAECBJCBIH13179.1°179.7°
CBICBHCAGH12180.0°179.9°
CBICBHCAGCAF1.5°0.1°
CBICBHCAGNAH178.9°180.0°
CAECABFADFAA123.7°120.0°
CABCAECAFCAG180.0°180.0°
CABCAECAFH10.0°0.1°
FADCABCAECAF112.9°0.0°
FAACABCAECAF8.5°120.0°
CAECAFCAGCBH0.3°0.0°
CAECAFCAGH1180.0°179.9°
CAECAFCAGNAH179.9°179.9°
CBHCAGCAFNAH179.6°180.0°
CBHCAGNAHCAI154.3°35.3°
CBHCAGCAFH1179.7°179.9°
CAGCBHCBIH13178.3°180.0°
CBHCAGNAHH1425.7°144.7°
CAFCAGNAHCAI25.3°144.8°
CAFCAGCBHH12178.5°180.0°
CAFCAGNAHH14154.7°35.2°
CAGNAHCAIH14180.0°180.0°
CAGNAHCAIOAJ1.6°4.1°
CAGNAHCAINAK179.1°175.9°
NAHCAGCAFH10.1°0.0°
NAHCAGCBHH121.1°0.1°
NAHCAIOAJNAK179.2°180.0°
NAHCAINAKCAL177.9°175.9°
NAHCAINAKH152.1°4.0°
OAJCAINAKCAL2.8°4.0°
OAJCAINAHH14178.4°175.9°
OAJCAINAKH15177.2°176.0°
CAINAKCALH15180.0°180.0°
CAINAKCALCAM21.0°144.7°
CAINAKCALCBA155.1°35.5°
NAKCAINAHH140.9°4.1°
NAKCALCAMCBA176.0°179.8°
NAKCALCAMCAN177.0°179.7°
NAKCALCBACAZ177.9°179.6°
NAKCALCAMH23.0°0.4°
NAKCALCBAH72.1°0.5°
CALCAMCANH2180.0°180.0°
CAMCALCBACAZ1.7°0.2°
CALCAMCANCAO0.6°0.4°
CALCAMCANH3179.4°179.6°
CAMCALCBAH7178.3°179.7°
CAMCALNAKH15159.0°35.3°
CBACALCAMCAN1.0°0.5°
CALCBACAZH7180.0°180.0°
CALCBACAZCAO0.8°1.1°
CALCBACAZOAY179.2°177.8°
CBACALCAMH2179.0°179.4°
CBACALNAKH1524.9°144.5°
CAMCANCAOH3180.0°180.0°
CAMCANCAOCAZ1.5°0.5°
CAMCANCAONAP179.2°178.1°
CBACAZCAOCAN0.7°1.3°
CBACAZCAOOAY180.0°178.9°
CBACAZCAONAP178.5°177.4°
CBACAZOAYCAX105.7°115.3°
CANCAOCAZNAP177.8°178.6°
CANCAOCAZOAY179.2°177.6°
CANCAONAPCBB41.3°38.3°
CANCAONAPCAQ135.1°141.6°
CAOCANCAMH2179.4°179.6°
CAOCAZOAYCAX74.2°63.5°
CAZCAONAPCBB141.0°140.3°
CAZCAONAPCAQ42.6°39.8°
CAZCAOCANH3178.6°179.5°
CAOCAZCBAH7179.1°178.8°
OAYCAZCAONAP1.5°3.8°
CAZOAYCAXNAW108.4°116.0°
CAZOAYCAXCAS69.9°61.8°
OAYCAZCBAH70.8°2.3°
CAONAPCBBCBC34.5°123.3°
CAONAPCBBCAQ176.6°179.9°
CAONAPCBBCBG143.8°57.0°
CAONAPCAQCAS4.0°1.3°
CAONAPCAQOAR180.0°178.7°
NAPCAOCANH30.8°1.8°
OAYCAXNAWCAS178.3°177.8°
OAYCAXNAWCAV179.3°176.4°
OAYCAXCASCAQ2.9°4.3°
OAYCAXCASCAT180.0°175.9°
CBDCBCCBBH8180.0°180.0°
CBCCBDNBEH9180.0°179.9°
CBDCBCCBBNAP178.5°179.7°
CBDCBCCBBCBG0.1°0.0°
CBCCBDNBECBF0.5°0.1°
CBBCBCCBDNBE0.4°0.1°
CBCCBBNAPCBG178.3°179.7°
CBCCBBNAPCAQ148.9°56.6°
CBCCBBCBGCBF0.1°0.0°
CBBCBCCBDH9179.6°180.0°
CBCCBBCBGH11179.9°180.0°
CAXNAWCAVCAU0.3°0.1°
NAWCAXCASCAQ178.9°177.9°
NAWCAXCASCAT1.7°1.8°
CAXNAWCAVH6179.7°179.8°
CAVNAWCAXCAS1.0°1.4°
NAWCAVCAUH6180.0°179.9°
NAWCAVCAUCAT0.9°0.7°
NAWCAVCAUH5179.1°179.3°
CAXCASCAQNAP39.7°38.6°
CAXCASCAQCAT177.1°179.7°
CAXCASCAQOAR136.4°141.4°
CAXCASCATCAU1.1°1.0°
CAXCASCATH4178.9°179.0°
CBDNBECBFCBG0.2°0.1°
NBECBDCBCH8179.6°179.9°
CBDNBECBFH10179.7°179.9°
CBBNAPCAQCAS179.6°178.8°
CBBNAPCAQOAR3.6°1.2°
NAPCBBCBGCBF178.3°179.7°
NAPCBBCBCH81.4°0.3°
NAPCBBCBGH111.7°0.3°
CAQNAPCBBCBG32.8°123.1°
NAPCAQCASOAR176.2°180.0°
NAPCAQCASCAT143.1°141.6°
CAVCAUCATCAS0.2°0.2°
CAVCAUCATH5180.0°180.0°
CAVCAUCATH4179.8°179.8°
CBBCBGCBFNBE0.0°0.0°
CBBCBGCBFH11180.0°180.0°
CBGCBBCBCH8179.9°180.0°
CBBCBGCBFH10180.0°180.0°
CAQCASCATCAU178.3°178.7°
CAQCASCATH41.7°1.3°
CATCASCAQOAR40.7°38.3°
CASCATCAUH4180.0°180.0°
CASCATCAUH5179.8°179.8°
NBECBFCBGH10180.0°180.0°
CBFNBECBDH9179.6°179.9°
NBECBFCBGH11179.9°180.0°
CATCAUCAVH6179.1°179.4°
H2CAMCANH30.6°0.4°
H4CATCAUH50.2°0.2°
H5CAUCAVH60.9°0.6°
H8CBCCBDH90.4°0.0°
H10CBFCBGH110.0°0.0°
H12CBHCBIH131.8°0.1°

224931

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