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4TO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAANABdoub1.30Å1.33ÅAromatic
CAAOAEsing1.34Å1.36ÅAromatic
NABCACsing1.34Å1.34ÅAromatic
OAECADsing1.35Å1.32ÅAromatic
CACCADdoub1.36Å1.32ÅAromatic
CADCAFsing1.48Å1.34Å
CAKCAFdoub1.40Å1.39ÅAromatic
CAKCAJsing1.38Å1.38ÅAromatic
CAFCAGsing1.39Å1.40ÅAromatic
CAJCAIdoub1.38Å1.39ÅAromatic
CAGCAHdoub1.39Å1.40ÅAromatic
CAICAHsing1.39Å1.39ÅAromatic
CBCCBDdoub1.38Å1.39ÅAromatic
CBCCBBsing1.38Å1.39ÅAromatic
FBHCBGsing1.40Å1.35Å
CAHNALsing1.40Å1.36Å
CBDCBEsing1.38Å1.39ÅAromatic
CBBCBAdoub1.39Å1.39ÅAromatic
FBJCBGsing1.40Å1.28Å
NALCAMsing1.35Å1.36Å
CBECBGsing1.51Å1.40Å
CBECBFdoub1.38Å1.39ÅAromatic
CBGFBIsing1.40Å1.28Å
CBACBFsing1.39Å1.40ÅAromatic
CBACAXsing1.48Å1.40Å
CAMOANdoub1.22Å1.22Å
CAMNAOsing1.35Å1.34Å
NAWCAXdoub1.33Å1.35ÅAromatic
NAWCAPsing1.32Å1.35ÅAromatic
CAXCAYsing1.39Å1.39ÅAromatic
NAOCAPsing1.40Å1.35Å
NAOCAUsing1.48Å1.48Å
CAPCAQdoub1.40Å1.40ÅAromatic
CAVCAUsing1.56Å1.52Å
CAVNARsing1.49Å1.46Å
CAYCAZdoub1.39Å1.38ÅAromatic
CAUCATsing1.55Å1.52Å
CAQCAZsing1.39Å1.39ÅAromatic
CAQNARsing1.41Å1.33Å
NARCASsing1.49Å1.47Å
CATCASsing1.54Å1.53Å
CBFH1sing1.08Å1.08Å
CBDH2sing1.08Å1.08Å
CBCH3sing1.08Å1.08Å
CBBH4sing1.08Å1.08Å
CAYH5sing1.08Å1.08Å
CAZH6sing1.08Å1.08Å
CAVH7sing1.09Å1.10Å
CAVH8sing1.09Å1.10Å
CASH9sing1.09Å1.10Å
CASH10sing1.09Å1.10Å
CATH11sing1.09Å1.10Å
CATH12sing1.09Å1.10Å
CAUH13sing1.09Å1.10Å
NALH14sing0.97Å1.00Å
CAGH15sing1.08Å1.08Å
CAIH16sing1.08Å1.08Å
CAJH17sing1.08Å1.08Å
CAKH18sing1.08Å1.08Å
CAAH19sing1.08Å1.08Å
CACH20sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NABCAAOAE106.5°109.0°
CAANABCAC109.1°108.9°
NABCAAH19126.8°125.5°
CAAOAECAD107.9°107.7°
OAECAAH19126.8°125.5°
NABCACCAD107.6°107.5°
NABCACH20126.2°126.2°
OAECADCAC108.9°106.9°
OAECADCAF124.6°126.6°
CACCADCAF126.5°126.5°
CADCACH20126.2°126.3°
CADCAFCAK119.2°120.1°
CADCAFCAG122.0°120.1°
CAFCAKCAJ119.9°119.9°
CAKCAFCAG118.7°119.8°
CAFCAKH18120.1°120.0°
CAKCAJCAI120.7°120.3°
CAKCAJH17119.6°119.9°
CAJCAKH18120.0°120.0°
CAFCAGCAH122.3°119.8°
CAFCAGH15118.8°120.1°
CAJCAICAH121.3°120.2°
CAJCAIH16119.3°119.9°
CAICAJH17119.7°119.9°
CAGCAHCAI117.0°120.0°
CAGCAHNAL126.2°120.1°
CAHCAGH15118.8°120.0°
CAICAHNAL116.8°120.0°
CAHCAIH16119.3°119.9°
CBDCBCCBB120.5°120.1°
CBCCBDCBE120.2°120.2°
CBCCBDH2119.9°119.9°
CBDCBCH3119.8°119.9°
CBCCBBCBA120.0°119.9°
CBBCBCH3119.8°119.9°
CBCCBBH4120.0°120.1°
FBHCBGFBJ110.0°109.4°
FBHCBGCBE109.3°109.5°
FBHCBGFBI108.7°109.5°
CAHNALCAM124.3°120.0°
CAHNALH14117.9°120.0°
CBDCBECBG119.5°119.9°
CBDCBECBF119.3°120.1°
CBECBDH2119.9°119.9°
CBBCBACBF119.1°119.7°
CBBCBACAX120.3°120.1°
CBACBBH4120.0°120.0°
FBJCBGCBE110.8°109.5°
FBJCBGFBI107.1°109.5°
NALCAMOAN123.4°120.0°
NALCAMNAO118.7°120.0°
CAMNALH14117.9°120.0°
CBGCBECBF121.2°120.0°
CBECBGFBI110.8°109.5°
CBECBFCBA121.0°119.9°
CBECBFH1119.5°120.0°
CBFCBACAX120.6°120.1°
CBACBFH1119.5°120.1°
CBACAXNAW120.8°119.5°
CBACAXCAY119.1°119.6°
OANCAMNAO117.9°120.0°
CAMNAOCAP123.5°121.4°
CAMNAOCAU118.6°121.4°
CAXNAWCAP121.2°121.5°
NAWCAXCAY120.1°120.9°
NAWCAPNAO122.3°119.8°
NAWCAPCAQ120.0°120.4°
CAXCAYCAZ120.1°119.2°
CAXCAYH5119.9°120.4°
CAPNAOCAU117.7°117.1°
NAOCAPCAQ117.7°119.8°
NAOCAUCAV110.6°105.2°
NAOCAUCAT109.5°107.8°
NAOCAUH13112.1°113.9°
CAPCAQCAZ119.6°119.6°
CAPCAQNAR119.2°120.5°
CAUCAVNAR96.6°101.7°
CAVCAUCAT100.8°102.3°
CAUCAVH7112.6°111.0°
CAUCAVH8112.6°111.0°
CAVCAUH13111.6°113.5°
CAVNARCAQ116.5°108.3°
CAVNARCAS102.3°104.5°
NARCAVH7112.6°111.0°
NARCAVH8112.6°111.0°
CAYCAZCAQ118.9°118.3°
CAZCAYH5119.9°120.4°
CAYCAZH6120.6°120.8°
CAUCATCAS103.6°105.0°
CAUCATH11110.9°110.4°
CAUCATH12110.9°110.4°
CATCAUH13111.6°113.3°
CAZCAQNAR121.1°119.9°
CAQCAZH6120.6°120.8°
CAQNARCAS113.2°107.1°
NARCASCAT102.8°106.3°
NARCASH9111.1°110.1°
NARCASH10111.1°110.0°
CATCASH9111.1°110.1°
CATCASH10111.1°110.2°
CASCATH11110.9°110.3°
CASCATH12110.9°110.3°
H7CAVH8109.5°110.9°
H9CASH10109.5°110.1°
H11CATH12109.4°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NABCAAOAEH19180.0°179.8°
NABCAAOAECAD0.3°0.0°
CAANABCACCAD0.2°0.4°
CAANABCACH20179.8°180.0°
OAECAANABCAC0.1°0.2°
CAAOAECADCAC0.4°0.2°
CAAOAECADCAF179.8°180.0°
NABCACCADOAE0.4°0.4°
NABCACCADH20180.0°179.6°
NABCACCADCAF179.7°179.9°
CACNABCAAH19179.9°180.0°
OAECADCACCAF179.4°179.8°
OAECADCAFCAK7.6°173.1°
OAECADCAFCAG172.9°7.2°
CADOAECAAH19179.7°179.8°
OAECADCACH20179.6°180.0°
CACCADCAFCAK171.7°6.6°
CACCADCAFCAG7.8°173.1°
CADCAFCAKCAG179.5°179.7°
CADCAFCAKCAJ179.5°180.0°
CADCAFCAGCAH179.6°179.7°
CADCAFCAGH150.4°0.3°
CADCAFCAKH180.5°0.3°
CAFCADCACH200.2°0.2°
CAFCAKCAJH18180.0°179.7°
CAFCAKCAJCAI0.0°0.3°
CAKCAFCAGCAH0.1°0.0°
CAKCAFCAGH15179.9°180.0°
CAFCAKCAJH17180.0°179.7°
CAJCAKCAFCAG0.0°0.3°
CAKCAJCAIH17180.0°180.0°
CAKCAJCAICAH0.0°0.1°
CAKCAJCAIH16180.0°180.0°
CAFCAGCAHH15180.0°180.0°
CAFCAGCAHCAI0.1°0.2°
CAFCAGCAHNAL179.8°180.0°
CAGCAFCAKH18180.0°180.0°
CAJCAICAHCAG0.1°0.2°
CAJCAICAHH16180.0°179.9°
CAJCAICAHNAL179.8°180.0°
CAICAJCAKH18180.0°180.0°
CAGCAHCAINAL179.9°179.8°
CAGCAHNALCAM10.2°144.9°
CAGCAHNALH14169.8°35.0°
CAGCAHCAIH16179.9°179.7°
CAICAHNALCAM169.7°34.9°
CAICAHNALH1410.3°145.2°
CAICAHCAGH15179.9°179.8°
CAHCAICAJH17180.0°180.0°
CBDCBCCBBH3180.0°180.0°
CBCCBDCBEH2180.0°179.9°
CBDCBCCBBCBA0.3°0.2°
CBCCBDCBECBG179.7°179.9°
CBCCBDCBECBF0.0°0.2°
CBDCBCCBBH4179.7°180.0°
CBBCBCCBDCBE0.1°0.0°
CBCCBBCBAH4180.0°179.8°
CBCCBBCBACBF0.3°0.2°
CBCCBBCBACAX179.6°180.0°
CBBCBCCBDH2179.8°180.0°
FBHCBGCBECBD15.5°83.3°
FBHCBGFBJCBE121.0°120.0°
FBHCBGFBJFBI118.0°120.0°
FBHCBGCBEFBI119.8°120.0°
FBHCBGCBECBF164.8°97.0°
CAHNALCAMH14180.0°179.9°
CAHNALCAMOAN0.5°6.2°
CAHNALCAMNAO179.8°173.9°
NALCAHCAGH150.2°0.0°
NALCAHCAIH160.2°0.1°
CBDCBECBGFBJ136.9°36.7°
CBDCBECBGCBF179.7°179.8°
CBDCBECBGFBI104.3°156.7°
CBDCBECBFCBA0.0°0.2°
CBDCBECBFH1180.0°179.8°
CBECBDCBCH3179.8°179.9°
CBBCBACBFCBE0.2°0.0°
CBBCBACBFCAX179.3°179.8°
CBBCBACAXNAW145.7°165.3°
CBBCBACAXCAY35.5°15.1°
CBBCBACBFH1179.8°180.0°
CBACBBCBCH3179.7°179.7°
FBJCBGCBEFBI118.8°120.0°
FBJCBGCBECBF43.4°143.1°
NALCAMOANNAO179.3°180.0°
NALCAMNAOCAP3.2°173.0°
NALCAMNAOCAU178.7°6.9°
CBGCBECBFCBA179.7°180.0°
CBGCBECBFH10.3°0.0°
CBGCBECBDH20.3°0.0°
CBFCBECBGFBI75.4°23.0°
CBECBFCBAH1180.0°180.0°
CBECBFCBACAX179.5°179.8°
CBFCBECBDH2180.0°179.7°
CBFCBACAXNAW35.0°14.9°
CBFCBACAXCAY143.8°164.7°
CBFCBACBBH4179.7°180.0°
CBACAXNAWCAY178.7°179.6°
CBACAXNAWCAP180.0°179.9°
CBACAXCAYCAZ179.2°179.9°
CAXCBACBFH10.5°0.2°
CAXCBACBBH40.4°0.2°
CBACAXCAYH50.8°0.0°
OANCAMNAOCAP176.1°7.0°
OANCAMNAOCAU0.7°173.0°
OANCAMNALH14179.5°173.9°
CAMNAOCAPNAW1.8°4.9°
CAMNAOCAPCAU175.5°180.0°
CAMNAOCAPCAQ176.5°174.7°
CAMNAOCAUCAV146.8°139.4°
CAMNAOCAUCAT103.0°112.0°
CAMNAOCAUH1321.5°14.6°
NAOCAMNALH140.2°6.1°
CAXNAWCAPNAO179.7°179.2°
CAXNAWCAPCAQ1.5°0.3°
NAWCAXCAYCAZ0.4°0.5°
NAWCAXCAYH5179.6°179.6°
CAPNAWCAXCAY1.3°0.3°
NAWCAPNAOCAQ178.3°179.5°
NAWCAPNAOCAU177.3°175.2°
NAWCAPCAQCAZ0.8°0.7°
NAWCAPCAQNAR179.2°179.0°
CAXCAYCAZH5180.0°179.9°
CAXCAYCAZCAQ0.2°0.1°
CAXCAYCAZH6179.7°179.9°
CAPNAOCAUCAV37.5°40.6°
CAPNAOCAUCAT72.7°68.1°
NAOCAPCAQCAZ179.1°178.8°
NAOCAPCAQNAR0.9°1.4°
CAPNAOCAUH13162.8°165.4°
CAUNAOCAPCAQ1.0°5.3°
NAOCAUCAVCAT115.8°112.5°
NAOCAUCAVH13125.5°125.1°
NAOCAUCAVNAR64.4°71.5°
NAOCAUCATH13124.8°126.9°
NAOCAUCATCAS88.9°88.1°
NAOCAUCAVH753.4°170.4°
NAOCAUCAVH8177.8°46.6°
NAOCAUCATH11152.0°30.8°
NAOCAUCATH1230.2°153.0°
CAPCAQNARCAV37.3°35.7°
CAPCAQCAZCAY0.1°0.5°
CAPCAQCAZNAR180.0°179.7°
CAPCAQNARCAS80.8°76.4°
CAPCAQCAZH6179.9°179.5°
CAUCAVNARH7117.9°118.1°
CAUCAVNARH8117.8°118.2°
CAVCAUCATH13118.6°122.5°
CAUCAVNARCAQ67.0°69.4°
CAUCAVNARCAS56.9°44.5°
CAVCAUCATCAS27.7°22.5°
CAUCAVH7H8126.1°123.8°
CAVCAUCATH1191.4°141.4°
CAVCAUCATH12146.8°96.4°
NARCAVCAUCAT51.4°41.0°
CAVNARCAQCAZ142.7°144.5°
CAVNARCAQCAS118.1°112.2°
CAVNARCASCAT39.7°30.5°
NARCAVH7H8126.0°123.9°
CAVNARCASH9158.6°149.7°
CAVNARCASH1079.2°88.8°
NARCAVCAUH13170.0°163.4°
CAYCAZCAQH6180.0°180.0°
CAYCAZCAQNAR179.9°179.2°
CAUCATCASNAR6.1°4.0°
CAUCATCASH11119.1°118.9°
CAUCATCASH12119.1°119.0°
CATCAUCAVH7169.2°77.1°
CATCAUCAVH866.4°159.1°
CAUCATCASH9125.1°123.2°
CAUCATCASH10112.8°115.2°
CAUCATH11H12122.7°122.2°
CAZCAQNARCAS99.2°103.3°
CAQCAZCAYH5179.8°179.9°
CAQNARCASCAT86.4°84.2°
NARCAQCAZH60.1°0.8°
CAQNARCAVH750.8°172.6°
CAQNARCAVH8175.2°48.8°
CAQNARCASH932.5°35.0°
CAQNARCASH10154.7°156.5°
NARCASCATH9118.9°119.2°
NARCASCATH10118.9°119.2°
CASNARCAVH7174.8°73.6°
CASNARCAVH860.9°162.7°
NARCASH9H10123.1°121.5°
NARCASCATH11125.2°114.9°
NARCASCATH12113.0°122.9°
CATCASH9H10123.1°121.7°
CASCATH11H12122.7°122.2°
CASCATCAUH13146.3°145.0°
H2CBDCBCH30.2°0.0°
H3CBCCBBH40.3°0.0°
H5CAYCAZH60.3°0.1°
H7CAVCAUH1372.1°45.3°
H8CAVCAUH1352.2°78.5°
H9CASCATH11115.9°4.3°
H9CASCATH126.0°117.9°
H10CASCATH116.3°125.9°
H10CASCATH12128.1°3.7°
H11CATCAUH1327.3°96.1°
H12CATCAUH1394.6°26.1°
H16CAICAJH170.0°0.0°
H17CAJCAKH180.0°0.0°

227344

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