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A1IXQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
SAUCACsing1.76Å1.67ÅAromatic
SAUCABsing1.76Å1.63ÅAromatic
CAFCACdoub1.39Å1.33ÅAromatic
CAFCAGsing1.39Å1.39ÅAromatic
CAMNALsing1.46Å1.47Å
CAMCANsing1.53Å1.54Å
NAACABsing1.38Å1.33Å
NALCAJsing1.35Å1.33Å
CACCADsing1.40Å1.34ÅAromatic
CABNAEdoub1.29Å1.32ÅAromatic
CAJCAGsing1.47Å1.38Å
CAJOAKdoub1.22Å1.23Å
CAGCAHdoub1.40Å1.38ÅAromatic
CADNAEsing1.34Å1.34ÅAromatic
CADCAIdoub1.41Å1.32ÅAromatic
CAHCAIsing1.36Å1.37ÅAromatic
CANCAOsing1.51Å1.40Å
CATCAOdoub1.38Å1.39ÅAromatic
CATCASsing1.38Å1.39ÅAromatic
CAOCAPsing1.38Å1.39ÅAromatic
CASCARdoub1.38Å1.39ÅAromatic
CAPCAQdoub1.38Å1.39ÅAromatic
CARCAQsing1.38Å1.39ÅAromatic
CARCLAVsing1.74Å1.73Å
CAFH1sing1.08Å1.08Å
NAAH2sing0.97Å1.00Å
NAAH3sing0.97Å1.00Å
CAIH4sing1.08Å1.08Å
CAHH5sing1.08Å1.08Å
NALH6sing0.97Å1.00Å
CAMH7sing1.09Å1.10Å
CAMH8sing1.09Å1.10Å
CANH9sing1.09Å1.10Å
CANH10sing1.09Å1.10Å
CAPH11sing1.08Å1.08Å
CAQH12sing1.08Å1.08Å
CASH13sing1.08Å1.08Å
CATH14sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CACSAUCAB94.6°90.4°
SAUCACCAF131.5°131.1°
SAUCACCAD107.7°108.4°
SAUCABNAA126.9°124.8°
SAUCABNAE109.5°110.4°
CACCAFCAG120.3°120.0°
CAFCACCAD120.8°120.4°
CACCAFH1119.9°120.0°
CAFCAGCAJ122.4°120.2°
CAFCAGCAH119.2°119.6°
CAGCAFH1119.8°120.0°
NALCAMCAN110.7°109.4°
CAMNALCAJ122.9°119.9°
CAMNALH6118.6°120.0°
NALCAMH7109.2°109.5°
NALCAMH8109.2°109.5°
CAMCANCAO112.3°109.5°
CANCAMH7109.2°109.5°
CANCAMH8109.2°109.4°
CAMCANH9108.8°109.5°
CAMCANH10108.8°109.4°
NAACABNAE123.5°124.8°
CABNAAH2109.5°120.0°
CABNAAH3109.5°119.9°
NALCAJCAG114.7°120.0°
NALCAJOAK124.5°120.0°
CAJNALH6118.5°120.0°
CACCADNAE113.9°112.8°
CACCADCAI119.7°118.6°
CABNAECAD114.2°118.0°
CAGCAJOAK120.7°120.0°
CAJCAGCAH118.4°120.2°
CAGCAHCAI117.3°120.6°
CAGCAHH5121.4°119.7°
NAECADCAI126.4°128.5°
CADCAICAH122.7°120.7°
CADCAIH4118.6°119.7°
CAHCAIH4118.7°119.6°
CAICAHH5121.4°119.7°
CANCAOCAT121.5°120.0°
CANCAOCAP119.1°120.0°
CAOCANH9108.8°109.5°
CAOCANH10108.8°109.4°
CAOCATCAS120.4°120.0°
CATCAOCAP119.4°120.0°
CAOCATH14119.8°120.0°
CATCASCAR120.2°120.0°
CATCASH13119.9°120.0°
CASCATH14119.8°120.0°
CAOCAPCAQ120.3°120.1°
CAOCAPH11119.8°120.0°
CASCARCAQ119.7°120.0°
CASCARCLAV119.5°120.0°
CARCASH13119.9°120.0°
CAPCAQCAR120.1°120.0°
CAQCAPH11119.9°119.9°
CAPCAQH12120.0°120.0°
CAQCARCLAV120.8°120.0°
CARCAQH12120.0°120.0°
H2NAAH3109.5°120.1°
H7CAMH8109.5°109.5°
H9CANH10109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
SAUCACCAFCAD179.9°180.0°
SAUCACCAFCAG179.8°180.0°
CACSAUCABNAA180.0°180.0°
CACSAUCABNAE0.2°0.0°
SAUCACCADNAE0.2°0.0°
SAUCACCADCAI179.9°180.0°
SAUCACCAFH10.2°0.3°
CABSAUCACCAF179.9°180.0°
SAUCABNAANAE179.8°180.0°
CABSAUCACCAD0.0°0.0°
SAUCABNAECAD0.4°0.0°
SAUCABNAAH20.0°0.0°
SAUCABNAAH3120.0°180.0°
CACCAFCAGH1180.0°179.7°
CACCAFCAGCAJ179.4°180.0°
CACCAFCAGCAH0.8°0.1°
CAFCACCADNAE179.6°180.0°
CAFCACCADCAI0.1°0.0°
CAFCAGCAJNAL9.1°180.0°
CAGCAFCACCAD0.3°0.0°
CAFCAGCAJCAH178.6°179.9°
CAFCAGCAJOAK173.6°0.0°
CAFCAGCAHCAI0.9°0.1°
CAFCAGCAHH5179.1°179.9°
NALCAMCANH7120.2°120.0°
NALCAMCANH8120.2°120.0°
CAMNALCAJH6180.0°179.9°
CAMNALCAJCAG177.8°180.0°
CAMNALCAJOAK0.6°0.0°
NALCAMCANCAO66.5°180.0°
NALCAMH7H8119.4°120.1°
NALCAMCANH954.0°60.0°
NALCAMCANH10173.1°60.0°
CANCAMNALCAJ63.3°180.0°
CAMCANCAOH9120.4°120.1°
CAMCANCAOH10120.4°119.9°
CAMCANCAOCAT2.0°90.3°
CAMCANCAOCAP178.3°90.0°
CANCAMNALH6116.7°0.0°
CANCAMH7H8119.4°119.9°
CAMCANH9H10118.7°120.0°
NAACABNAECAD179.8°180.0°
CABNAAH2H3120.0°180.0°
NALCAJCAGOAK177.4°180.0°
NALCAJCAGCAH169.5°0.1°
CAJNALCAMH756.9°60.1°
CAJNALCAMH8176.5°60.0°
CACCADNAECAB0.4°0.0°
CACCADNAECAI179.7°179.9°
CACCADCAICAH0.2°0.1°
CADCACCAFH1179.7°179.7°
CACCADCAIH4179.8°180.0°
CABNAECADCAI179.9°179.9°
NAECABNAAH2179.7°180.0°
NAECABNAAH360.2°0.0°
CAJCAGCAHCAI179.5°180.0°
CAJCAGCAFH10.7°0.3°
CAJCAGCAHH50.5°0.0°
CAGCAJNALH62.2°0.1°
OAKCAJCAGCAH7.9°179.9°
OAKCAJNALH6179.4°179.9°
CAGCAHCAICAD0.7°0.1°
CAGCAHCAIH5180.0°179.9°
CAHCAGCAFH1179.2°179.8°
CAGCAHCAIH4179.3°180.0°
NAECADCAICAH179.4°180.0°
NAECADCAIH40.6°0.1°
CADCAICAHH4180.0°179.9°
CADCAICAHH5179.3°179.9°
CANCAOCATCAP179.7°179.7°
CANCAOCATCAS180.0°179.7°
CANCAOCAPCAQ179.9°180.0°
CAOCANCAMH7173.3°60.0°
CAOCANCAMH853.7°60.0°
CAOCANH9H10118.7°120.0°
CANCAOCAPH110.1°0.0°
CANCAOCATH140.0°0.0°
CAOCATCASH14180.0°179.7°
CAOCATCASCAR0.3°0.6°
CATCAOCAPCAQ0.1°0.3°
CATCAOCANH9122.4°149.7°
CATCAOCANH10118.5°29.7°
CATCAOCAPH11179.8°179.7°
CAOCATCASH13179.7°179.7°
CASCATCAOCAP0.2°0.6°
CATCASCARH13180.0°179.7°
CATCASCARCAQ0.3°0.3°
CATCASCARCLAV179.7°179.7°
CAOCAPCAQH11180.0°180.0°
CAOCAPCAQCAR0.1°0.0°
CAPCAOCANH957.9°30.0°
CAPCAOCANH1061.3°150.0°
CAOCAPCAQH12179.9°179.9°
CAPCAOCATH14179.8°179.8°
CASCARCAQCAP0.2°0.0°
CASCARCAQCLAV180.0°180.0°
CASCARCAQH12179.9°179.9°
CARCASCATH14179.7°179.8°
CAPCAQCARH12180.0°179.9°
CAPCAQCARCLAV179.8°180.0°
CARCAQCAPH11179.9°180.0°
CAQCARCASH13179.8°180.0°
CLAVCARCAQH120.2°0.1°
CLAVCARCASH130.3°0.0°
H4CAICAHH50.7°0.0°
H6NALCAMH7123.1°120.0°
H6NALCAMH83.5°119.9°
H7CAMCANH966.2°180.0°
H7CAMCANH1052.9°60.0°
H8CAMCANH9174.1°60.1°
H8CAMCANH1066.7°180.0°
H11CAPCAQH120.1°0.1°
H13CASCATH140.3°0.1°

258735

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