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NBR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAQNAPsing1.47Å1.48Å
NAPCATsing1.46Å1.48Å
NAPCAMsing1.39Å1.34Å
CAMCANdoub1.39Å1.40ÅAromatic
CAMCALsing1.39Å1.40ÅAromatic
CANCAOsing1.38Å1.39ÅAromatic
CAONAJdoub1.32Å1.40ÅAromatic
CALCAKdoub1.38Å1.40ÅAromatic
CAKNAJsing1.32Å1.41ÅAromatic
NAJCAAsing1.47Å1.45Å
CAACAUsing1.51Å1.42Å
CAUCAZsing1.38Å1.38ÅAromatic
CAUCAVdoub1.38Å1.38ÅAromatic
CAZCAYdoub1.38Å1.41ÅAromatic
CAYCAXsing1.39Å1.38ÅAromatic
CAVCAWsing1.38Å1.40ÅAromatic
CAWCAXdoub1.39Å1.40ÅAromatic
CAXOBAsing1.36Å1.43Å
OBACBBsing1.43Å1.41Å
CBBCBCsing1.53Å1.54Å
CBCOBDsing1.43Å1.48Å
OBDCBEsing1.36Å1.42Å
CBECBJsing1.39Å1.37ÅAromatic
CBECBFdoub1.39Å1.37ÅAromatic
CBJCBIdoub1.38Å1.39ÅAromatic
CBICBHsing1.38Å1.40ÅAromatic
CBFCBGsing1.38Å1.43ÅAromatic
CBGCBHdoub1.38Å1.37ÅAromatic
CBHCABsing1.51Å1.49Å
CABNACsing1.47Å1.47Å
NACCADsing1.32Å1.40ÅAromatic
NACCAHdoub1.32Å1.40ÅAromatic
CADCAEdoub1.38Å1.36ÅAromatic
CAECAFsing1.39Å1.41ÅAromatic
CAFNAIsing1.39Å1.33Å
CAFCAGdoub1.39Å1.41ÅAromatic
NAICASsing1.46Å1.50Å
NAICARsing1.47Å1.42Å
CAGCAHsing1.38Å1.33ÅAromatic
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAQHAQ3sing1.09Å1.10Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CATHAT3sing1.09Å1.10Å
CANHANsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAZHAZsing1.08Å1.08Å
CAVHAVsing1.08Å1.08Å
CAYHAYsing1.08Å1.08Å
CAWHAWsing1.08Å1.08Å
CBBHBB1sing1.09Å1.10Å
CBBHBB2sing1.09Å1.10Å
CBCHBC1sing1.09Å1.10Å
CBCHBC2sing1.09Å1.10Å
CBJHBJsing1.08Å1.08Å
CBFHBFsing1.08Å1.08Å
CBIHBIsing1.08Å1.08Å
CBGHBGsing1.08Å1.08Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CADHADsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CASHAS3sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CARHAR3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAQNAPCAT122.6°120.0°
CAQNAPCAM116.7°120.0°
NAPCAQHAQ1109.5°109.4°
NAPCAQHAQ2109.5°109.5°
NAPCAQHAQ3109.4°109.4°
CATNAPCAM120.5°120.0°
NAPCATHAT1109.5°109.5°
NAPCATHAT2109.5°109.5°
NAPCATHAT3109.5°109.5°
NAPCAMCAN119.2°120.9°
NAPCAMCAL120.6°120.9°
CANCAMCAL120.2°118.3°
CAMCANCAO120.7°119.1°
CAMCANHAN119.6°120.4°
CAMCALCAK119.6°119.0°
CAMCALHAL120.2°120.5°
CANCAONAJ119.0°120.8°
CAOCANHAN119.6°120.5°
CANCAOHAO120.5°119.6°
CAONAJCAK120.4°121.9°
CAONAJCAA118.5°119.0°
NAJCAOHAO120.5°119.6°
CALCAKNAJ120.0°120.9°
CAKCALHAL120.2°120.4°
CALCAKHAK120.0°119.5°
CAKNAJCAA120.9°119.1°
NAJCAKHAK120.0°119.6°
NAJCAACAU119.2°109.5°
NAJCAAHAA1107.0°109.5°
NAJCAAHAA2107.0°109.5°
CAACAUCAZ122.3°120.0°
CAACAUCAV117.7°119.9°
CAUCAAHAA1107.0°109.5°
CAUCAAHAA2107.0°109.5°
CAZCAUCAV120.0°120.1°
CAUCAZCAY120.4°120.1°
CAUCAZHAZ119.8°120.0°
CAUCAVCAW119.9°120.1°
CAUCAVHAV120.1°119.9°
CAZCAYCAX120.1°119.9°
CAYCAZHAZ119.8°119.9°
CAZCAYHAY119.9°120.1°
CAYCAXCAW119.0°119.9°
CAYCAXOBA118.1°120.0°
CAXCAYHAY120.0°120.0°
CAVCAWCAX120.6°119.9°
CAWCAVHAV120.1°120.0°
CAVCAWHAW119.7°120.0°
CAWCAXOBA122.9°120.0°
CAXCAWHAW119.7°120.0°
CAXOBACBB116.5°117.0°
OBACBBCBC106.4°109.5°
OBACBBHBB1110.2°109.4°
OBACBBHBB2110.2°109.5°
CBBCBCOBD107.3°109.5°
CBCCBBHBB1110.2°109.5°
CBCCBBHBB2110.2°109.5°
CBBCBCHBC1110.0°109.5°
CBBCBCHBC2110.0°109.5°
CBCOBDCBE111.9°117.0°
OBDCBCHBC1110.0°109.4°
OBDCBCHBC2110.0°109.5°
OBDCBECBJ123.4°120.1°
OBDCBECBF113.7°120.1°
CBJCBECBF122.7°119.9°
CBECBJCBI117.5°120.0°
CBECBJHBJ121.2°120.0°
CBECBFCBG119.7°120.0°
CBECBFHBF120.1°120.0°
CBJCBICBH121.6°120.1°
CBICBJHBJ121.2°120.0°
CBJCBIHBI119.2°120.0°
CBICBHCBG120.5°120.1°
CBICBHCAB117.4°120.0°
CBHCBIHBI119.2°119.9°
CBFCBGCBH117.9°120.0°
CBGCBFHBF120.1°120.0°
CBFCBGHBG121.1°120.0°
CBGCBHCAB122.2°119.9°
CBHCBGHBG121.1°120.0°
CBHCABNAC105.7°109.5°
CBHCABHAB1110.4°109.5°
CBHCABHAB2110.4°109.4°
CABNACCAD122.6°119.0°
CABNACCAH125.2°119.1°
NACCABHAB1110.4°109.5°
NACCABHAB2110.4°109.4°
CADNACCAH112.1°121.9°
NACCADCAE123.8°120.8°
NACCADHAD118.1°119.6°
NACCAHCAG125.0°120.9°
NACCAHHAH117.5°119.6°
CADCAECAF122.8°119.1°
CAECADHAD118.1°119.6°
CADCAEHAE118.6°120.5°
CAECAFNAI124.9°120.8°
CAECAFCAG112.9°118.3°
CAFCAEHAE118.6°120.5°
NAICAFCAG122.2°120.9°
CAFNAICAS120.4°120.1°
CAFNAICAR124.0°120.0°
CAFCAGCAH123.1°119.0°
CAFCAGHAG118.4°120.5°
CASNAICAR115.4°120.0°
NAICASHAS1109.5°109.5°
NAICASHAS2109.5°109.5°
NAICASHAS3109.4°109.5°
NAICARHAR1109.5°109.5°
NAICARHAR2109.5°109.5°
NAICARHAR3109.5°109.5°
CAGCAHHAH117.5°119.5°
CAHCAGHAG118.4°120.5°
HAQ1CAQHAQ2109.5°109.5°
HAQ1CAQHAQ3109.4°109.5°
HAQ2CAQHAQ3109.5°109.5°
HAT1CATHAT2109.5°109.5°
HAT1CATHAT3109.5°109.4°
HAT2CATHAT3109.5°109.5°
HAA1CAAHAA2109.5°109.5°
HBB1CBBHBB2109.5°109.5°
HBC1CBCHBC2109.5°109.5°
HAB1CABHAB2109.4°109.5°
HAS1CASHAS2109.5°109.5°
HAS1CASHAS3109.5°109.4°
HAS2CASHAS3109.5°109.4°
HAR1CARHAR2109.5°109.4°
HAR1CARHAR3109.5°109.5°
HAR2CARHAR3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAQNAPCATCAM173.1°180.0°
CAQNAPCAMCAN108.9°0.0°
CAQNAPCAMCAL68.1°179.7°
NAPCAQHAQ1HAQ2120.0°120.0°
NAPCAQHAQ1HAQ3120.0°120.0°
NAPCAQHAQ2HAQ3120.0°120.0°
CAQNAPCATHAT1180.0°90.0°
CAQNAPCATHAT260.0°150.0°
CAQNAPCATHAT360.0°30.0°
CATNAPCAMCAN64.7°180.0°
CATNAPCAMCAL118.4°0.3°
CATNAPCAQHAQ1180.0°90.0°
CATNAPCAQHAQ260.0°150.0°
CATNAPCAQHAQ360.0°30.0°
NAPCATHAT1HAT2120.0°120.0°
NAPCATHAT1HAT3120.0°120.0°
NAPCATHAT2HAT3120.0°120.0°
NAPCAMCANCAL177.0°179.7°
NAPCAMCANCAO177.7°180.0°
NAPCAMCALCAK178.3°180.0°
CAMNAPCAQHAQ16.6°90.0°
CAMNAPCAQHAQ2113.4°30.0°
CAMNAPCAQHAQ3126.6°150.0°
CAMNAPCATHAT16.9°90.0°
CAMNAPCATHAT2126.9°30.0°
CAMNAPCATHAT3113.1°150.1°
NAPCAMCANHAN2.3°0.1°
NAPCAMCALHAL1.7°0.1°
CAMCANCAOHAN180.0°179.9°
CAMCANCAONAJ1.6°0.0°
CANCAMCALCAK1.3°0.2°
CANCAMCALHAL178.7°179.7°
CAMCANCAOHAO178.4°180.0°
CALCAMCANCAO0.7°0.3°
CAMCALCAKHAL180.0°179.9°
CAMCALCAKNAJ0.3°0.0°
CALCAMCANHAN179.3°179.8°
CAMCALCAKHAK179.7°180.0°
CANCAONAJHAO180.0°180.0°
CANCAONAJCAK3.2°0.2°
CANCAONAJCAA177.9°180.0°
CAONAJCAKCAL2.6°0.3°
CAONAJCAKCAA174.5°179.8°
CAONAJCAACAU57.9°90.0°
NAJCAOCANHAN178.4°180.0°
CAONAJCAKHAK177.4°179.7°
CAONAJCAAHAA163.4°150.0°
CAONAJCAAHAA2179.3°30.0°
CALCAKNAJHAK180.0°180.0°
CALCAKNAJCAA177.1°179.9°
CAKNAJCAACAU127.5°89.7°
NAJCAKCALHAL179.7°179.9°
CAKNAJCAOHAO176.8°179.8°
CAKNAJCAAHAA1111.2°30.3°
CAKNAJCAAHAA26.1°150.2°
NAJCAACAUHAA1121.4°120.0°
NAJCAACAUHAA2121.4°120.0°
NAJCAACAUCAZ35.6°90.0°
NAJCAACAUCAV147.2°90.3°
CAANAJCAOHAO2.1°0.0°
CAANAJCAKHAK2.8°0.0°
NAJCAAHAA1HAA2115.6°120.0°
CAACAUCAZCAV177.1°179.8°
CAACAUCAZCAY175.8°180.0°
CAACAUCAVCAW177.6°180.0°
CAUCAAHAA1HAA2115.6°120.0°
CAACAUCAZHAZ4.1°0.0°
CAACAUCAVHAV2.4°0.0°
CAUCAZCAYHAZ180.0°180.0°
CAUCAZCAYCAX2.0°0.0°
CAZCAUCAVCAW0.4°0.3°
CAZCAUCAAHAA1156.9°30.0°
CAZCAUCAAHAA285.8°150.0°
CAZCAUCAVHAV179.6°179.8°
CAUCAZCAYHAY178.0°180.0°
CAVCAUCAZCAY1.3°0.3°
CAUCAVCAWHAV180.0°180.0°
CAUCAVCAWCAX1.4°0.0°
CAVCAUCAAHAA125.9°149.7°
CAVCAUCAAHAA291.4°29.7°
CAVCAUCAZHAZ178.7°179.7°
CAUCAVCAWHAW178.6°179.9°
CAZCAYCAXHAY180.0°180.0°
CAZCAYCAXCAW1.0°0.3°
CAZCAYCAXOBA177.7°180.0°
CAYCAXCAWCAV0.7°0.3°
CAYCAXCAWOBA178.6°179.7°
CAYCAXOBACBB178.7°179.9°
CAXCAYCAZHAZ178.0°180.0°
CAYCAXCAWHAW179.3°179.7°
CAVCAWCAXHAW180.0°179.9°
CAVCAWCAXOBA179.3°180.0°
CAWCAXOBACBB2.7°0.4°
CAXCAWCAVHAV178.6°180.0°
CAWCAXCAYHAY179.0°179.7°
CAXOBACBBCBC156.8°180.0°
OBACAXCAYHAY2.3°0.0°
OBACAXCAWHAW0.7°0.0°
CAXOBACBBHBB183.7°60.1°
CAXOBACBBHBB237.2°59.9°
OBACBBCBCHBB1119.5°119.9°
OBACBBCBCHBB2119.5°120.1°
OBACBBCBCOBD66.4°65.0°
OBACBBHBB1HBB2121.4°120.0°
OBACBBCBCHBC153.2°175.1°
OBACBBCBCHBC2173.9°55.0°
CBBCBCOBDHBC1119.7°120.0°
CBBCBCOBDHBC2119.6°120.0°
CBBCBCOBDCBE168.0°180.0°
CBCCBBHBB1HBB2121.4°120.0°
CBBCBCHBC1HBC2121.0°120.0°
CBCOBDCBECBJ3.3°179.9°
CBCOBDCBECBF179.0°0.4°
OBDCBCCBBHBB1174.0°55.0°
OBDCBCCBBHBB253.1°175.0°
OBDCBCHBC1HBC2121.0°120.0°
OBDCBECBJCBF175.3°179.6°
OBDCBECBJCBI177.7°180.0°
OBDCBECBFCBG178.1°180.0°
CBEOBDCBCHBC172.3°60.0°
CBEOBDCBCHBC248.4°60.0°
OBDCBECBJHBJ2.3°0.2°
OBDCBECBFHBF1.8°0.1°
CBECBJCBIHBJ180.0°179.8°
CBECBJCBICBH2.0°0.1°
CBJCBECBFCBG2.4°0.4°
CBJCBECBFHBF177.6°179.7°
CBECBJCBIHBI177.9°180.0°
CBFCBECBJCBI2.4°0.4°
CBECBFCBGHBF180.0°179.9°
CBECBFCBGCBH1.9°0.0°
CBFCBECBJHBJ177.5°179.7°
CBECBFCBGHBG178.1°180.0°
CBJCBICBHHBI180.0°179.9°
CBJCBICBHCBG1.7°0.3°
CBJCBICBHCAB179.0°180.0°
CBICBHCBGCBF1.6°0.3°
CBICBHCBGCAB179.3°179.7°
CBICBHCABNAC76.2°90.0°
CBHCBICBJHBJ177.9°179.9°
CBICBHCBGHBG178.4°179.7°
CBICBHCABHAB1164.4°150.0°
CBICBHCABHAB243.2°29.9°
CBFCBGCBHHBG180.0°180.0°
CBFCBGCBHCAB179.1°180.0°
CBGCBHCABNAC104.5°89.7°
CBHCBGCBFHBF178.1°180.0°
CBGCBHCBIHBI178.2°179.6°
CBGCBHCABHAB114.9°30.4°
CBGCBHCABHAB2136.1°150.4°
CBHCABNACHAB1119.4°120.1°
CBHCABNACHAB2119.4°119.9°
CBHCABNACCAD65.9°90.0°
CBHCABNACCAH111.0°90.2°
CABCBHCBIHBI1.0°0.0°
CABCBHCBGHBG0.8°0.0°
CBHCABHAB1HAB2121.8°120.0°
CABNACCADCAH177.2°179.8°
CABNACCADCAE175.9°180.0°
CABNACCAHCAG175.4°179.8°
NACCABHAB1HAB2121.7°119.9°
CABNACCADHAD4.2°0.0°
CABNACCAHHAH4.6°0.0°
NACCADCAEHAD180.0°180.0°
NACCADCAECAF2.5°0.0°
CADNACCAHCAG1.8°0.5°
CADNACCABHAB153.5°30.1°
CADNACCABHAB2174.7°150.1°
CADNACCAHHAH178.2°179.8°
NACCADCAEHAE177.5°180.0°
CAHNACCADCAE1.4°0.2°
NACCAHCAGCAF1.8°0.5°
NACCAHCAGHAH180.0°179.8°
CAHNACCABHAB1129.6°149.7°
CAHNACCABHAB28.5°29.7°
CAHNACCADHAD178.6°179.8°
NACCAHCAGHAG178.2°179.7°
CADCAECAFHAE180.0°180.0°
CADCAECAFNAI177.2°180.0°
CADCAECAFCAG5.6°0.0°
CAECAFNAICAG176.9°180.0°
CAECAFNAICAS5.8°0.1°
CAECAFNAICAR179.6°180.0°
CAECAFCAGCAH5.3°0.2°
CAFCAECADHAD177.5°180.0°
CAECAFCAGHAG174.7°180.0°
CAFNAICASCAR174.3°179.9°
NAICAFCAGCAH177.4°179.8°
NAICAFCAEHAE2.8°0.0°
NAICAFCAGHAG2.6°0.0°
CAFNAICASHAS1180.0°89.9°
CAFNAICASHAS260.0°150.0°
CAFNAICASHAS360.0°30.1°
CAFNAICARHAR1180.0°60.1°
CAFNAICARHAR260.0°180.0°
CAFNAICARHAR360.0°60.0°
CAGCAFNAICAS177.3°180.0°
CAGCAFNAICAR3.5°0.0°
CAFCAGCAHHAG180.0°179.8°
CAFCAGCAHHAH178.2°179.8°
CAGCAFCAEHAE174.4°180.0°
NAICASHAS1HAS2120.0°120.1°
NAICASHAS1HAS3120.0°120.0°
NAICASHAS2HAS3120.0°120.0°
CASNAICARHAR15.9°120.0°
CASNAICARHAR2125.9°0.1°
CASNAICARHAR3114.1°120.0°
CARNAICASHAS15.7°90.0°
CARNAICASHAS2114.3°30.1°
CARNAICASHAS3125.7°150.0°
NAICARHAR1HAR2120.0°120.0°
NAICARHAR1HAR3120.0°120.1°
NAICARHAR2HAR3120.0°120.1°
HAQ1CAQHAQ2HAQ3120.0°120.1°
HAT1CATHAT2HAT3120.0°120.0°
HANCANCAOHAO1.6°0.0°
HALCALCAKHAK0.4°0.1°
HAZCAZCAYHAY1.9°0.0°
HAVCAVCAWHAW1.4°0.1°
HBB1CBBCBCHBC166.3°65.0°
HBB1CBBCBCHBC254.4°175.0°
HBB2CBBCBCHBC1172.7°55.0°
HBB2CBBCBCHBC266.6°65.0°
HBJCBJCBIHBI2.1°0.2°
HBFCBFCBGHBG1.9°0.1°
HADCADCAEHAE2.5°0.0°
HAHCAHCAGHAG1.8°0.1°
HAS1CASHAS2HAS3120.0°119.9°
HAR1CARHAR2HAR3120.0°120.0°

218853

PDB entries from 2024-04-24

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