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Obsolete: 5KU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBRCBQdoub1.22Å1.25Å
OBECBAsing1.43Å1.39Å
OAJCAKsing1.43Å1.44Å
OAJCAIsing1.43Å1.41Å
CAKCALsing1.53Å1.54Å
CBBOBCsing1.43Å1.44Å
CBBCBAsing1.53Å1.56Å
CBQOBSsing1.35Å1.25Å
CBQCAXsing1.47Å1.43Å
CBACAZsing1.53Å1.55Å
CAXOAYsing1.36Å1.52Å
CAXCAWdoub1.32Å1.56Å
OAYCATsing1.43Å1.46Å
CALOAMsing1.43Å1.44Å
CATCAZsing1.53Å1.56Å
CATCAUsing1.54Å1.50Å
CAZOBKsing1.45Å1.39Å
OBKCBJsing1.35Å1.41Å
OAMCANsing1.43Å1.45Å
CAWCAVsing1.50Å1.49Å
CAUCAVsing1.53Å1.45Å
CAUNBMsing1.47Å1.56Å
CBJNBIsing1.35Å1.48Å
CBJOBLdoub1.22Å1.19Å
NBICAOsing1.46Å1.49Å
CAVNBDsing1.47Å1.54Å
CANCAOsing1.53Å1.58Å
NBMCBOsing1.35Å1.50Å
NBDCBFdoub1.30Å1.43Å
CBOOBNdoub1.21Å1.20Å
CBOCBPsing1.51Å1.56Å
NBGCBFsing1.38Å1.28Å
CBFNBHsing1.37Å1.26Å
CAIH1sing1.09Å1.10Å
CAIH2sing1.09Å1.10Å
CAIH3sing1.09Å1.10Å
CAKH4sing1.09Å1.10Å
CAKH5sing1.09Å1.10Å
CALH6sing1.09Å1.10Å
CALH7sing1.09Å1.10Å
CANH8sing1.09Å1.10Å
CANH9sing1.09Å1.10Å
CAOH10sing1.09Å1.10Å
CAOH11sing1.09Å1.10Å
CATH12sing1.09Å1.10Å
CAUH13sing1.09Å1.10Å
CAVH14sing1.09Å1.10Å
CAWH15sing1.08Å1.08Å
CAZH18sing1.09Å1.10Å
CBAH19sing1.09Å1.10Å
CBBH20sing1.09Å1.10Å
CBBH21sing1.09Å1.10Å
CBPH22sing1.09Å1.10Å
CBPH23sing1.09Å1.10Å
CBPH24sing1.09Å1.10Å
NBGH26sing0.97Å1.00Å
NBHH27sing0.97Å1.00Å
NBHH28sing0.97Å1.00Å
NBIH29sing0.97Å1.00Å
NBMH30sing0.97Å1.00Å
OBCH31sing0.97Å0.95Å
OBEH32sing0.97Å0.95Å
OBSH33sing0.97Å0.95Å
NBGH16sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBRCBQOBS119.5°120.0°
OBRCBQCAX117.7°120.0°
OBECBACBB108.9°109.5°
OBECBACAZ118.0°109.5°
OBECBAH19106.5°109.5°
CBAOBEH32109.5°114.0°
CAKOAJCAI116.2°114.0°
OAJCAKCAL109.4°109.5°
OAJCAKH4109.5°109.5°
OAJCAKH5109.5°109.5°
OAJCAIH1109.5°109.4°
OAJCAIH2109.4°109.5°
OAJCAIH3109.5°109.5°
CAKCALOAM108.6°109.5°
CALCAKH4109.5°109.4°
CALCAKH5109.5°109.5°
CAKCALH6109.7°109.5°
CAKCALH7109.7°109.5°
OBCCBBCBA96.9°109.5°
OBCCBBH20112.5°109.5°
OBCCBBH21112.5°109.5°
CBBOBCH31109.5°114.0°
CBBCBACAZ112.8°109.5°
CBBCBAH19104.6°109.5°
CBACBBH20112.5°109.4°
CBACBBH21112.5°109.5°
OBSCBQCAX122.6°120.0°
CBQOBSH33109.5°117.0°
CBQCAXOAY113.3°118.5°
CBQCAXCAW120.3°118.6°
CBACAZCAT110.3°109.5°
CBACAZOBK111.0°109.5°
CBACAZH18107.8°109.5°
CAZCBAH19104.8°109.4°
OAYCAXCAW109.7°123.0°
CAXOAYCAT108.6°117.6°
CAXCAWCAV108.8°122.4°
CAXCAWH15125.6°118.8°
OAYCATCAZ108.7°109.7°
OAYCATCAU111.1°108.3°
OAYCATH12107.9°109.8°
CALOAMCAN113.5°114.0°
OAMCALH6109.7°109.4°
OAMCALH7109.7°109.4°
CAZCATCAU114.8°109.7°
CATCAZOBK110.4°109.5°
CAZCATH12106.6°109.7°
CATCAZH18107.5°109.5°
CATCAUCAV112.3°108.3°
CATCAUNBM114.9°109.6°
CAUCATH12107.4°109.6°
CATCAUH13103.7°109.7°
CAZOBKCBJ113.3°117.0°
OBKCAZH18109.8°109.5°
OBKCBJNBI118.1°120.0°
OBKCBJOBL121.1°120.0°
OAMCANCAO105.7°109.5°
OAMCANH8110.4°109.5°
OAMCANH9110.4°109.5°
CAWCAVCAU113.8°109.4°
CAWCAVNBD112.2°109.5°
CAWCAVH14104.5°109.5°
CAVCAWH15125.6°118.8°
CAVCAUNBM116.7°109.7°
CAUCAVNBD116.0°109.4°
CAVCAUH13104.1°109.8°
CAUCAVH14104.8°109.5°
CAUNBMCBO133.1°120.0°
NBMCAUH13103.1°109.7°
CAUNBMH30113.4°120.1°
NBICBJOBL120.7°120.0°
CBJNBICAO119.5°120.0°
CBJNBIH29120.3°120.0°
NBICAOCAN109.1°109.5°
NBICAOH10109.6°109.5°
NBICAOH11109.6°109.4°
CAONBIH29120.3°120.0°
CAVNBDCBF135.7°120.0°
NBDCAVH14104.0°109.5°
CAOCANH8110.4°109.5°
CAOCANH9110.4°109.5°
CANCAOH10109.6°109.5°
CANCAOH11109.6°109.4°
NBMCBOOBN124.4°120.0°
NBMCBOCBP114.6°120.0°
CBONBMH30113.5°120.0°
NBDCBFNBG126.1°120.0°
NBDCBFNBH113.7°120.0°
OBNCBOCBP121.0°120.0°
CBOCBPH22109.5°109.5°
CBOCBPH23109.5°109.4°
CBOCBPH24109.4°109.5°
NBGCBFNBH120.2°120.0°
CBFNBGH26120.0°120.0°
CBFNBGH16120.0°120.0°
CBFNBHH27120.0°120.0°
CBFNBHH28120.0°120.0°
H1CAIH2109.5°109.4°
H1CAIH3109.5°109.5°
H2CAIH3109.4°109.5°
H4CAKH5109.5°109.4°
H6CALH7109.5°109.5°
H8CANH9109.5°109.5°
H10CAOH11109.5°109.5°
H20CBBH21109.5°109.4°
H22CBPH23109.4°109.5°
H22CBPH24109.5°109.5°
H23CBPH24109.5°109.5°
H26NBGH16120.0°120.0°
H27NBHH28120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBRCBQOBSCAX174.9°179.9°
OBRCBQCAXOAY30.4°180.0°
OBRCBQCAXCAW163.0°0.1°
OBRCBQOBSH330.0°0.1°
OBECBACBBOBC121.3°64.9°
OBECBACBBCAZ133.1°120.0°
OBECBACBBH19113.6°120.0°
OBECBACAZH19118.2°120.0°
OBECBACAZCAT10.1°55.0°
OBECBACAZOBK112.5°65.0°
OBECBACAZH18127.2°175.0°
OBECBACBBH20120.8°55.0°
OBECBACBBH213.5°175.0°
OAJCAKCALH4120.0°120.0°
OAJCAKCALH5120.0°120.0°
OAJCAKCALOAM96.7°65.0°
CAKOAJCAIH1180.0°179.9°
CAKOAJCAIH260.0°60.0°
CAKOAJCAIH360.0°60.0°
OAJCAKH4H5120.0°120.0°
OAJCAKCALH6143.4°175.1°
OAJCAKCALH723.2°55.0°
CAIOAJCAKCAL49.4°180.0°
OAJCAIH1H2120.0°119.9°
OAJCAIH1H3120.0°120.0°
OAJCAIH2H3120.0°120.0°
CAIOAJCAKH470.6°60.0°
CAIOAJCAKH5169.4°60.0°
CAKCALOAMH6119.9°120.0°
CAKCALOAMH7119.9°120.0°
CAKCALOAMCAN164.9°180.0°
CALCAKH4H5120.0°119.9°
CAKCALH6H7120.4°120.1°
OBCCBBCBAH20117.9°119.9°
OBCCBBCBAH21117.9°120.1°
OBCCBBCBACAZ105.6°175.0°
OBCCBBCBAH197.8°55.1°
OBCCBBH20H21125.9°120.1°
CBBCBACAZH19113.2°120.0°
CBBCBACAZCAT138.6°175.0°
CBBCBACAZOBK16.0°55.0°
CBBCBACAZH18104.3°64.9°
CBACBBH20H21125.9°120.0°
CBACBBOBCH31180.0°180.0°
CBBCBAOBEH32180.0°60.0°
OBSCBQCAXOAY154.6°0.1°
OBSCBQCAXCAW22.0°180.0°
CBQCAXOAYCAW137.5°180.0°
CBQCAXOAYCAT156.3°163.3°
CBQCAXCAWCAV150.4°179.6°
CBQCAXCAWH1529.6°0.4°
CAXCBQOBSH33174.8°180.0°
CBACAZCATOAY98.9°56.1°
CBACAZCATOBK123.0°120.0°
CBACAZCATH18117.3°120.0°
CBACAZCATCAU135.9°175.0°
CBACAZOBKH18119.0°120.0°
CBACAZOBKCBJ100.3°90.0°
CBACAZCATH1217.1°64.5°
CAZCBACBBH2012.3°65.0°
CAZCBACBBH21136.6°54.9°
CAZCBAOBEH3249.7°60.0°
CAXOAYCATCAZ179.9°167.6°
CAXOAYCATCAU52.8°47.8°
OAYCAXCAWCAV16.4°0.4°
CAXOAYCATH1264.7°71.9°
OAYCAXCAWH15163.6°179.6°
CAWCAXOAYCAT66.2°16.7°
CAXCAWCAVH15180.0°180.0°
CAXCAWCAVCAU44.2°17.5°
CAXCAWCAVNBD178.4°102.4°
CAXCAWCAVH1469.6°137.5°
OAYCATCAZCAU125.2°118.9°
OAYCATCAZH12116.1°120.6°
OAYCATCAUH12117.8°119.8°
OAYCATCAZOBK24.1°63.9°
OAYCATCAUCAV7.4°62.9°
OAYCATCAUNBM143.9°56.7°
OAYCATCAUH13104.4°177.3°
OAYCATCAZH18143.8°176.2°
CALOAMCANCAO161.6°180.0°
OAMCALCAKH423.3°175.0°
OAMCALCAKH5143.3°55.0°
OAMCALH6H7120.4°119.9°
CALOAMCANH842.2°60.0°
CALOAMCANH979.0°60.0°
CAZCATCAUH12118.3°120.5°
CATCAZOBKH18118.4°120.0°
CATCAZOBKCBJ137.1°150.0°
CAZCATCAUCAV116.5°177.3°
CAZCATCAUNBM20.0°63.0°
CAZCATCAUH13131.7°57.6°
CATCAZCBAH19108.1°65.0°
CAUCATCAZOBK101.1°55.0°
CATCAUCAVCAW59.4°47.1°
CATCAUCAVNBM135.7°119.6°
CATCAUCAVH13111.5°119.8°
CATCAUNBMH13112.0°120.6°
CATCAUCAVNBD168.2°72.9°
CATCAUNBMCBO101.6°155.0°
CATCAUCAVH1454.1°167.2°
CAUCATCAZH1818.6°64.9°
CATCAUNBMH3078.4°25.0°
CAZOBKCBJNBI175.4°180.0°
CAZOBKCBJOBL2.7°0.0°
OBKCAZCATH12140.1°175.5°
OBKCAZCBAH19129.2°175.0°
OBKCBJNBIOBL178.1°180.0°
OBKCBJNBICAO179.9°179.9°
CBJOBKCAZH1818.7°30.0°
OBKCBJNBIH290.1°0.0°
OAMCANCAONBI45.7°65.0°
OAMCANCAOH8119.4°120.0°
OAMCANCAOH9119.4°120.0°
CANOAMCALH645.1°60.0°
CANOAMCALH775.2°60.0°
OAMCANH8H9121.8°120.0°
OAMCANCAOH1074.3°175.0°
OAMCANCAOH11165.6°55.0°
CAWCAVCAUNBD132.4°120.0°
CAWCAVCAUH14113.6°120.1°
CAWCAVCAUNBM164.9°72.5°
CAWCAVNBDH14112.3°120.1°
CAWCAVNBDCBF109.1°113.7°
CAWCAVCAUH1352.1°166.9°
CAVCAUNBMH13113.4°120.6°
CAUCAVNBDH14114.5°120.0°
CAVCAUNBMCBO32.9°86.2°
CAUCAVNBDCBF24.0°126.3°
CAVCAUCATH12125.2°56.9°
CAUCAVCAWH15135.8°162.5°
CAVCAUNBMH30147.1°93.8°
NBMCAUCAVNBD32.5°167.5°
CAUNBMCBOH30180.0°180.0°
CAUNBMCBOOBN2.9°0.0°
CAUNBMCBOCBP177.7°180.0°
NBMCAUCATH1298.3°176.5°
NBMCAUCAVH1481.5°47.5°
CBJNBICAOH29180.0°179.9°
CBJNBICAOCAN99.2°180.0°
CBJNBICAOH10140.8°60.0°
CBJNBICAOH1120.8°60.1°
OBLCBJNBICAO1.8°0.1°
OBLCBJNBIH29178.2°180.0°
NBICAOCANH10120.0°120.1°
NBICAOCANH11119.9°120.0°
NBICAOCANH873.7°175.0°
NBICAOCANH9165.1°55.0°
NBICAOH10H11120.1°120.0°
CAVNBDCBFNBG4.2°172.3°
CAVNBDCBFNBH176.3°7.6°
NBDCAVCAUH1380.3°46.9°
NBDCAVCAWH151.5°77.6°
CAOCANH8H9121.7°120.0°
CANCAOH10H11120.2°119.9°
CANCAONBIH2980.8°0.1°
NBMCBOOBNCBP179.4°180.0°
CBONBMCAUH13146.4°34.4°
NBMCBOCBPH22179.5°180.0°
NBMCBOCBPH2360.6°60.0°
NBMCBOCBPH2459.5°60.0°
NBDCBFNBGNBH179.4°180.0°
CBFNBDCAVH14138.6°6.3°
NBDCBFNBGH26179.4°180.0°
NBDCBFNBHH27179.5°12.3°
NBDCBFNBHH280.5°167.8°
NBDCBFNBGH160.5°0.0°
OBNCBOCBPH220.0°0.0°
OBNCBOCBPH23120.0°120.0°
OBNCBOCBPH24120.0°120.0°
OBNCBONBMH30177.1°180.0°
CBOCBPH22H23120.0°120.0°
CBOCBPH22H24120.0°120.0°
CBOCBPH23H24120.0°120.0°
CBPCBONBMH302.3°0.0°
CBFNBGH26H16179.9°180.0°
NBGCBFNBHH270.0°167.8°
NBGCBFNBHH28180.0°12.2°
NBHCBFNBGH260.0°0.0°
CBFNBHH27H28180.0°180.0°
NBHCBFNBGH16180.0°180.0°
H1CAIH2H3120.0°120.1°
H4CAKCALH696.6°55.0°
H4CAKCALH7143.1°65.1°
H5CAKCALH623.5°64.9°
H5CAKCALH796.8°175.0°
H8CANCAOH10166.3°55.0°
H8CANCAOH1146.2°65.0°
H9CANCAOH1045.2°65.0°
H9CANCAOH1174.9°175.0°
H10CAONBIH2939.1°120.0°
H11CAONBIH29159.2°120.0°
H12CATCAUH1313.4°62.9°
H12CATCAZH18100.1°55.5°
H13CAUCAVH14165.6°73.1°
H13CAUNBMH3033.6°145.6°
H14CAVCAWH15110.4°42.5°
H18CAZCBAH199.0°55.0°
H19CBACBBH20125.6°175.0°
H19CBACBBH21110.1°65.0°
H19CBAOBEH3267.6°180.0°
H20CBBOBCH3162.1°60.1°
H21CBBOBCH3162.1°59.9°
H22CBPH23H24120.0°120.0°

222624

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