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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBBCAZsing1.53Å1.53Å
CBCCAZsing1.53Å1.53Å
CAZCBAsing1.53Å1.52Å
CAZCAYsing1.51Å1.42Å
CAYCAXdoub1.38Å1.41ÅAromatic
CAYCBDsing1.38Å1.41ÅAromatic
CAXCAWsing1.38Å1.40ÅAromatic
CBDCBEdoub1.38Å1.39ÅAromatic
CAWCAVdoub1.39Å1.41ÅAromatic
CBECAVsing1.39Å1.41ÅAromatic
CAVNAUsing1.40Å1.35Å
NAUCATsing1.35Å1.34Å
CATOBFdoub1.22Å1.24Å
CATNASsing1.35Å1.34Å
NASCARsing1.47Å1.47Å
CARCAQsing1.53Å1.55Å
CAQCAPsing1.53Å1.53Å
CAONANsing1.47Å1.47Å
CAPNANsing1.47Å1.48Å
NANCAMsing1.47Å1.47Å
CAMCALsing1.53Å1.54Å
CALOBGsing1.44Å1.42Å
CALCAJsing1.54Å1.51Å
OBGCAGsing1.44Å1.41Å
CAJOAKsing1.43Å1.43Å
CAJCAHsing1.55Å1.52Å
CAGN9sing1.47Å1.48Å
CAGCAHsing1.55Å1.48Å
N9C4sing1.37Å1.33ÅAromatic
N9C8sing1.36Å1.33ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N3C2sing1.32Å1.40ÅAromatic
C4C5sing1.41Å1.34ÅAromatic
C8N7doub1.30Å1.32ÅAromatic
C2N1doub1.32Å1.40ÅAromatic
N7C5sing1.35Å1.34ÅAromatic
C5C6doub1.41Å1.34ÅAromatic
N1C6sing1.33Å1.34ÅAromatic
C6N6sing1.38Å1.33Å
CAHOAIsing1.43Å1.44Å
C2H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
CBAH3sing1.09Å1.10Å
CBAH4sing1.09Å1.10Å
CBAH5sing1.09Å1.10Å
CBBH6sing1.09Å1.10Å
CBBH7sing1.09Å1.10Å
CBBH8sing1.09Å1.10Å
CBCH9sing1.09Å1.10Å
CBCH10sing1.09Å1.10Å
CBCH11sing1.09Å1.10Å
CBDH12sing1.08Å1.08Å
CBEH13sing1.08Å1.08Å
CAXH14sing1.08Å1.08Å
CAWH15sing1.08Å1.08Å
NAUH16sing0.97Å1.00Å
NASH17sing0.97Å1.00Å
CARH18sing1.09Å1.10Å
CARH19sing1.09Å1.10Å
CAQH20sing1.09Å1.10Å
CAQH21sing1.09Å1.10Å
CAPH22sing1.09Å1.10Å
CAPH23sing1.09Å1.10Å
CAOH25sing1.09Å1.10Å
CAOH26sing1.09Å1.10Å
CAOH27sing1.09Å1.10Å
CAMH28sing1.09Å1.10Å
CAMH29sing1.09Å1.10Å
CALH30sing1.09Å1.10Å
CAJH31sing1.09Å1.10Å
OAKH32sing0.97Å0.95Å
CAHH33sing1.09Å1.10Å
OAIH34sing0.97Å0.95Å
CAGH35sing1.09Å1.10Å
N6H36sing0.97Å1.00Å
N6H37sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBBCAZCBC106.9°109.5°
CBBCAZCBA109.8°109.5°
CBBCAZCAY110.7°109.5°
CAZCBBH6109.5°109.5°
CAZCBBH7109.5°109.4°
CAZCBBH8109.5°109.5°
CBCCAZCBA107.3°109.5°
CBCCAZCAY111.8°109.5°
CAZCBCH9109.5°109.5°
CAZCBCH10109.5°109.5°
CAZCBCH11109.5°109.5°
CBACAZCAY110.2°109.4°
CAZCBAH3109.5°109.5°
CAZCBAH4109.5°109.5°
CAZCBAH5109.5°109.5°
CAZCAYCAX120.9°119.9°
CAZCAYCBD120.6°119.9°
CAXCAYCBD118.5°120.2°
CAYCAXCAW120.9°120.0°
CAYCAXH14119.5°120.0°
CAYCBDCBE120.7°120.1°
CAYCBDH12119.6°120.0°
CAXCAWCAV120.2°119.9°
CAWCAXH14119.5°119.9°
CAXCAWH15119.9°120.0°
CBDCBECAV120.5°119.9°
CBECBDH12119.6°120.0°
CBDCBEH13119.7°120.0°
CAWCAVCBE119.1°119.9°
CAWCAVNAU119.1°120.0°
CAVCAWH15119.9°120.1°
CBECAVNAU121.7°120.1°
CAVCBEH13119.8°120.0°
CAVNAUCAT120.1°120.0°
CAVNAUH16120.0°120.0°
NAUCATOBF122.4°120.0°
NAUCATNAS116.5°120.0°
CATNAUH16119.9°120.1°
OBFCATNAS121.1°120.0°
CATNASCAR121.7°120.1°
CATNASH17119.2°120.0°
NASCARCAQ105.7°109.5°
CARNASH17119.2°119.9°
NASCARH18110.4°109.4°
NASCARH19110.4°109.4°
CARCAQCAP113.2°109.4°
CAQCARH18110.4°109.5°
CAQCARH19110.4°109.5°
CARCAQH20108.5°109.5°
CARCAQH21108.5°109.5°
CAQCAPNAN114.8°109.5°
CAPCAQH20108.5°109.5°
CAPCAQH21108.5°109.5°
CAQCAPH22108.1°109.5°
CAQCAPH23108.1°109.5°
CAONANCAP117.8°111.0°
CAONANCAM110.4°111.0°
NANCAOH25109.5°109.5°
NANCAOH26109.4°109.5°
NANCAOH27109.5°109.5°
CAPNANCAM109.1°111.0°
NANCAPH22108.1°109.4°
NANCAPH23108.1°109.5°
NANCAMCAL108.0°109.5°
NANCAMH28109.8°109.5°
NANCAMH29109.8°109.5°
CAMCALOBG106.8°109.9°
CAMCALCAJ111.9°109.9°
CALCAMH28109.9°109.4°
CALCAMH29109.9°109.5°
CAMCALH30109.7°109.9°
OBGCALCAJ106.7°107.2°
CALOBGCAG107.2°107.0°
OBGCALH30111.5°109.9°
CALCAJOAK106.4°110.5°
CALCAJCAH104.1°104.2°
CAJCALH30110.2°110.0°
CALCAJH31111.6°110.4°
OBGCAGN9106.8°110.6°
OBGCAGCAH104.5°103.5°
OBGCAGH35111.9°110.6°
OAKCAJCAH110.1°110.5°
OAKCAJH31112.8°110.4°
CAJOAKH32109.5°114.0°
CAJCAHCAG101.5°102.1°
CAJCAHOAI111.2°110.9°
CAHCAJH31111.4°110.6°
CAJCAHH33111.5°110.9°
N9CAGCAH111.6°110.6°
CAGN9C4120.7°126.3°
CAGN9C8130.3°126.3°
N9CAGH35110.9°110.5°
CAGCAHOAI107.3°110.9°
CAGCAHH33112.0°111.0°
CAHCAGH35110.9°110.8°
C4N9C8109.0°107.5°
N9C4N3131.1°135.0°
N9C4C5107.3°106.0°
N9C8N7107.3°109.9°
N9C8H2126.4°125.1°
C4N3C2119.7°120.7°
N3C4C5121.6°119.0°
N3C2N1117.5°122.5°
N3C2H1121.3°118.8°
C4C5N7107.8°107.1°
C4C5C6119.8°118.2°
C8N7C5108.6°109.5°
N7C8H2126.4°125.0°
C2N1C6119.4°121.1°
N1C2H1121.3°118.7°
N7C5C6132.4°134.6°
C5C6N1122.1°118.4°
C5C6N6116.9°120.8°
N1C6N6120.9°120.7°
C6N6H36109.5°120.0°
C6N6H37109.5°120.0°
OAICAHH33112.7°110.8°
CAHOAIH34109.5°114.0°
H3CBAH4109.5°109.5°
H3CBAH5109.5°109.5°
H4CBAH5109.5°109.5°
H6CBBH7109.4°109.4°
H6CBBH8109.5°109.6°
H7CBBH8109.4°109.4°
H9CBCH10109.5°109.4°
H9CBCH11109.5°109.4°
H10CBCH11109.5°109.4°
H18CARH19109.5°109.5°
H20CAQH21109.5°109.5°
H22CAPH23109.5°109.5°
H25CAOH26109.5°109.5°
H25CAOH27109.4°109.4°
H26CAOH27109.5°109.5°
H28CAMH29109.4°109.4°
H36N6H37109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBBCAZCBCCBA117.8°120.0°
CBBCAZCBCCAY121.3°120.0°
CBBCAZCBACAY122.2°120.0°
CBBCAZCAYCAX51.9°60.0°
CBBCAZCAYCBD127.0°120.3°
CBBCAZCBAH3180.0°180.0°
CBBCAZCBAH460.0°60.0°
CBBCAZCBAH560.0°60.0°
CAZCBBH6H7120.0°119.9°
CAZCBBH6H8120.0°120.0°
CAZCBBH7H8120.0°120.0°
CBBCAZCBCH9180.0°180.0°
CBBCAZCBCH1060.0°60.0°
CBBCAZCBCH1160.0°60.0°
CBCCAZCBACAY121.9°120.0°
CBCCAZCAYCAX171.0°180.0°
CBCCAZCAYCBD7.9°0.3°
CBCCAZCBAH364.1°60.0°
CBCCAZCBAH4175.9°60.0°
CBCCAZCBAH555.9°180.0°
CBCCAZCBBH6180.0°59.9°
CBCCAZCBBH760.0°60.0°
CBCCAZCBBH860.0°179.9°
CAZCBCH9H10120.0°120.1°
CAZCBCH9H11120.0°120.0°
CAZCBCH10H11120.0°120.1°
CBACAZCAYCAX69.8°60.1°
CBACAZCAYCBD111.3°119.7°
CAZCBAH3H4120.0°120.0°
CAZCBAH3H5120.0°120.0°
CAZCBAH4H5120.0°120.0°
CBACAZCBBH663.9°60.1°
CBACAZCBBH7176.1°180.0°
CBACAZCBBH856.2°60.1°
CBACAZCBCH962.2°60.0°
CBACAZCBCH1057.8°180.0°
CBACAZCBCH11177.8°60.0°
CAZCAYCAXCBD178.9°179.8°
CAZCAYCAXCAW179.8°180.0°
CAZCAYCBDCBE180.0°180.0°
CAYCAZCBAH357.8°60.0°
CAYCAZCBAH462.2°180.0°
CAYCAZCBAH5177.8°60.1°
CAYCAZCBBH658.0°180.0°
CAYCAZCBBH762.0°60.0°
CAYCAZCBBH8178.1°59.9°
CAYCAZCBCH958.7°60.0°
CAYCAZCBCH10178.7°60.0°
CAYCAZCBCH1161.3°180.0°
CAZCAYCBDH120.0°0.0°
CAZCAYCAXH140.2°0.0°
CAYCAXCAWH14180.0°180.0°
CAXCAYCBDCBE1.0°0.2°
CAYCAXCAWCAV0.2°0.0°
CAXCAYCBDH12179.0°179.7°
CAYCAXCAWH15179.8°180.0°
CBDCAYCAXCAW0.8°0.2°
CAYCBDCBEH12180.0°180.0°
CAYCBDCBECAV0.2°0.0°
CAYCBDCBEH13179.8°180.0°
CBDCAYCAXH14179.1°179.7°
CAXCAWCAVH15180.0°180.0°
CAXCAWCAVCBE1.0°0.3°
CAXCAWCAVNAU178.7°180.0°
CBDCBECAVCAW0.8°0.3°
CBDCBECAVH13180.0°180.0°
CBDCBECAVNAU178.4°180.0°
CAWCAVCBENAU177.6°179.7°
CAWCAVNAUCAT147.4°146.5°
CAWCAVCBEH13179.2°179.7°
CAVCAWCAXH14179.8°180.0°
CAWCAVNAUH1632.7°33.5°
CBECAVNAUCAT35.1°33.2°
CAVCBECBDH12179.8°180.0°
CBECAVCAWH15179.0°179.7°
CBECAVNAUH16144.9°146.8°
CAVNAUCATH16180.0°180.0°
CAVNAUCATOBF3.0°5.1°
CAVNAUCATNAS177.0°174.8°
NAUCAVCBEH131.6°0.0°
NAUCAVCAWH151.3°0.0°
NAUCATOBFNAS180.0°180.0°
NAUCATNASCAR175.7°180.0°
NAUCATNASH174.3°0.0°
OBFCATNASCAR4.3°0.1°
OBFCATNAUH16177.1°174.9°
OBFCATNASH17175.7°180.0°
CATNASCARH17180.0°179.9°
CATNASCARCAQ49.5°180.0°
NASCATNAUH163.0°5.1°
CATNASCARH1869.9°60.0°
CATNASCARH19168.9°60.0°
NASCARCAQH18119.4°120.0°
NASCARCAQH19119.4°120.0°
NASCARCAQCAP123.8°180.0°
NASCARH18H19121.7°119.9°
NASCARCAQH203.3°60.0°
NASCARCAQH21115.6°60.0°
CARCAQCAPH20120.6°120.0°
CARCAQCAPH21120.6°120.0°
CARCAQCAPNAN115.0°180.0°
CAQCARNASH17130.5°0.0°
CAQCARH18H19121.7°120.1°
CARCAQH20H21118.3°120.0°
CARCAQCAPH22124.2°60.0°
CARCAQCAPH235.7°60.0°
CAQCAPNANCAO30.1°66.0°
CAQCAPNANH22120.8°120.0°
CAQCAPNANH23120.8°120.0°
CAQCAPNANCAM156.8°170.0°
CAPCAQCARH18116.8°60.1°
CAPCAQCARH194.4°60.0°
CAPCAQH20H21118.3°120.0°
CAQCAPH22H23117.6°120.0°
CAONANCAPCAM126.8°124.0°
CAONANCAMCAL140.7°160.2°
CAONANCAPH2290.7°54.0°
CAONANCAPH23150.8°174.0°
NANCAOH25H26120.0°120.1°
NANCAOH25H27120.0°120.0°
NANCAOH26H27120.0°120.0°
CAONANCAMH2820.9°40.2°
CAONANCAMH2999.5°79.8°
CAPNANCAMCAL88.4°75.8°
NANCAPCAQH205.5°60.0°
NANCAPCAQH21124.4°60.0°
NANCAPH22H23117.6°120.0°
CAPNANCAOH25180.0°54.5°
CAPNANCAOH2660.0°174.5°
CAPNANCAOH2760.0°65.5°
CAPNANCAMH28151.8°164.2°
CAPNANCAMH2931.4°44.2°
NANCAMCALH28119.8°120.0°
NANCAMCALH29119.8°120.0°
NANCAMCALOBG93.7°65.4°
NANCAMCALCAJ149.9°176.8°
CAMNANCAPH2236.1°70.0°
CAMNANCAPH2382.4°50.0°
CAMNANCAOH2553.9°69.5°
CAMNANCAOH26173.9°50.6°
CAMNANCAOH2766.1°170.6°
NANCAMH28H29120.7°120.0°
NANCAMCALH3027.3°55.6°
CAMCALOBGCAJ119.8°119.4°
CAMCALOBGH30119.8°121.0°
CAMCALCAJH30122.3°121.1°
CAMCALOBGCAG139.4°145.9°
CAMCALCAJOAK132.6°119.8°
CAMCALCAJCAH111.1°121.4°
CALCAMH28H29120.7°120.0°
CAMCALCAJH319.1°2.6°
OBGCALCAJH30121.2°119.4°
OBGCALCAJOAK110.9°120.7°
OBGCALCAJCAH5.4°2.0°
CALOBGCAGN9156.1°158.6°
CALOBGCAGCAH37.7°40.1°
OBGCALCAMH2826.1°54.6°
OBGCALCAMH29146.5°174.6°
OBGCALCAJH31125.6°116.8°
CALOBGCAGH3582.4°78.7°
CAJCALOBGCAG19.7°26.5°
CALCAJOAKCAH112.2°114.8°
CALCAJOAKH31122.7°122.5°
CALCAJCAHH31120.3°118.7°
CALCAJCAHCAG26.7°20.9°
CALCAJCAHOAI140.6°139.1°
CAJCALCAMH2890.3°63.2°
CAJCALCAMH2930.1°56.7°
CALCAJOAKH32180.0°180.0°
CALCAJCAHH3392.7°97.4°
OBGCAGCAHCAJ39.4°37.1°
OBGCAGN9CAH113.7°114.1°
OBGCAGN9H35122.1°122.8°
OBGCAGCAHH35120.7°118.6°
OBGCAGN9C4107.9°156.4°
OBGCAGN9C871.4°23.6°
OBGCAGCAHOAI156.1°155.2°
CAGOBGCALH30100.7°93.0°
OBGCAGCAHH3379.7°81.2°
OAKCAJCAHH31126.0°122.6°
OAKCAJCAHCAG87.0°97.8°
OAKCAJCAHOAI26.8°20.4°
OAKCAJCALH3010.3°1.3°
OAKCAJCAHH33153.5°143.9°
CAJCAHCAGN9154.5°155.5°
CAJCAHCAGOAI116.7°118.2°
CAJCAHCAGH33119.0°118.3°
CAJCAHOAIH33126.0°123.6°
CAHCAJCALH30126.6°117.5°
CAHCAJOAKH3267.8°65.2°
CAJCAHOAIH34180.0°61.4°
CAJCAHCAGH3581.4°81.5°
N9CAGCAHH35124.1°122.9°
CAGN9C4C8179.5°180.0°
CAGN9C4N30.5°0.3°
CAGN9C4C5180.0°180.0°
CAGN9C8N7179.8°180.0°
N9CAGCAHOAI88.8°86.3°
CAGN9C8H20.2°0.1°
N9CAGCAHH3335.5°37.3°
CAHCAGN9C4138.4°89.5°
CAHCAGN9C842.3°90.5°
CAGCAHOAIH33123.8°123.7°
CAGCAHCAJH31147.0°139.6°
CAGCAHOAIH3469.9°174.1°
N9C4N3C5179.5°179.7°
N9C4N3C2179.8°179.7°
C4N9C8N70.4°0.0°
N9C4C5N70.5°0.0°
N9C4C5C6179.6°180.0°
C4N9C8H2179.6°179.9°
C4N9CAGH3514.2°33.6°
C8N9C4N3179.9°179.7°
C8N9C4C50.6°0.0°
N9C8N7H2180.0°179.9°
N9C8N7C50.0°0.0°
C8N9CAGH35166.4°146.4°
C4N3C2N10.9°0.0°
N3C4C5N7179.9°179.7°
N3C4C5C60.0°0.3°
C4N3C2H1179.1°179.8°
C2N3C4C50.7°0.0°
N3C2N1H1180.0°179.8°
N3C2N1C60.5°0.3°
C4C5N7C80.3°0.0°
C4C5N7C6179.8°180.0°
C4C5C6N10.4°0.5°
C4C5C6N6179.3°180.0°
C8N7C5C6179.8°180.0°
C2N1C6C50.2°0.5°
C2N1C6N6179.0°180.0°
N7C5C6N1179.4°179.5°
N7C5C6N60.5°0.0°
C5N7C8H2180.0°179.9°
C5C6N1N6178.8°179.5°
C5C6N6H36178.9°0.0°
C5C6N6H3758.9°180.0°
C6N1C2H1179.5°180.0°
N1C6N6H360.0°179.5°
N1C6N6H37120.0°0.5°
C6N6H36H37120.0°180.0°
OAICAHCAJH3199.1°102.2°
OAICAHCAGH3535.4°36.6°
H3CBAH4H5120.0°120.0°
H6CBBH7H8120.0°120.1°
H9CBCH10H11120.0°119.9°
H12CBDCBEH130.2°0.0°
H14CAXCAWH150.2°0.0°
H17NASCARH18110.1°120.1°
H17NASCARH1911.1°120.0°
H18CARCAQH20122.7°180.0°
H18CARCAQH213.8°60.0°
H19CARCAQH20116.1°59.9°
H19CARCAQH21125.0°180.0°
H20CAQCAPH22115.3°180.0°
H20CAQCAPH23126.3°60.0°
H21CAQCAPH223.6°60.0°
H21CAQCAPH23114.8°NaN°
H25CAOH26H27120.0°120.0°
H28CAMCALH30147.1°175.7°
H29CAMCALH3092.5°64.4°
H30CALCAJH31113.2°123.7°
H31CAJOAKH3257.3°57.5°
H31CAJCAHH3327.6°21.3°
H33CAHOAIH3454.0°62.2°
H33CAHCAGH35159.6°160.2°

225946

PDB entries from 2024-10-09

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