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D2Y

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBHCBFdoub1.21Å1.23Å
OBDCBIsing1.43Å1.44Å
OBDCAWsing1.43Å1.44Å
CBFCBGsing1.51Å1.53Å
CBFNBEsing1.35Å1.34Å
CAXCAWsing1.53Å1.52Å
CAXNBEsing1.46Å1.48Å
CAXCAYsing1.53Å1.56Å
OBACAYsing1.43Å1.42Å
CAWOAVsing1.43Å1.42Å
OAVCAUsing1.43Å1.43Å
CAYCAZsing1.53Å1.53Å
OBCCBBsing1.43Å1.42Å
CAZCAUsing1.53Å1.51Å
CAZO1sing1.43Å1.42Å
CAQCAOsing1.53Å1.53Å
O6C6sing1.43Å1.41Å
O6CAOsing1.43Å1.45Å
C5C6sing1.53Å1.52Å
C5O5sing1.43Å1.43Å
C5C4sing1.53Å1.51Å
C1O5sing1.43Å1.43Å
C1O1sing1.43Å1.42Å
C1C2sing1.53Å1.52Å
CAUCBBsing1.53Å1.54Å
O4CAOsing1.43Å1.45Å
O4C4sing1.43Å1.43Å
CAOCAPsing1.51Å1.55Å
C3C4sing1.53Å1.52Å
C3C2sing1.53Å1.52Å
C3O3sing1.43Å1.44Å
C2N2sing1.47Å1.47Å
CAPOARdoub1.21Å1.25Å
CAPOASsing1.34Å1.25Å
N2C7sing1.35Å1.35Å
O7C7doub1.21Å1.23Å
C7C8sing1.51Å1.52Å
C4H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
N2H8sing0.97Å1.00Å
C3H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
O3H11sing0.97Å0.95Å
CAQH12sing1.09Å1.10Å
CAQH13sing1.09Å1.10Å
CAQH14sing1.09Å1.10Å
OASH15sing0.97Å0.95Å
C1H16sing1.09Å1.10Å
CAZH17sing1.09Å1.10Å
CAYH18sing1.09Å1.10Å
OBAH19sing0.97Å0.95Å
CAUH20sing1.09Å1.10Å
CBBH21sing1.09Å1.10Å
CBBH22sing1.09Å1.10Å
OBCH23sing0.97Å0.95Å
CAWH24sing1.09Å1.10Å
CBIH25sing1.09Å1.10Å
CBIH26sing1.09Å1.10Å
CBIH27sing1.09Å1.10Å
CAXH28sing1.09Å1.10Å
NBEH29sing0.97Å1.00Å
CBGH30sing1.09Å1.10Å
CBGH31sing1.09Å1.10Å
CBGH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBHCBFCBG120.5°120.0°
OBHCBFNBE124.7°120.0°
CBIOBDCAW110.3°114.0°
OBDCBIH25109.5°109.5°
OBDCBIH26109.4°109.4°
OBDCBIH27109.5°109.4°
OBDCAWCAX108.6°109.5°
OBDCAWOAV109.2°109.5°
OBDCAWH24109.1°109.5°
CBGCBFNBE114.8°120.0°
CBFCBGH30109.5°109.5°
CBFCBGH31109.5°109.5°
CBFCBGH32109.5°109.4°
CBFNBECAX123.8°120.0°
CBFNBEH29118.1°120.0°
CAWCAXNBE105.4°109.5°
CAWCAXCAY112.1°109.1°
CAXCAWOAV112.3°109.4°
CAXCAWH24108.1°109.5°
CAWCAXH28109.8°109.5°
NBECAXCAY109.6°109.5°
NBECAXH28110.4°109.6°
CAXNBEH29118.1°120.0°
CAXCAYOBA109.6°109.6°
CAXCAYCAZ112.3°109.0°
CAXCAYH18107.5°109.5°
CAYCAXH28109.4°109.6°
OBACAYCAZ110.3°109.5°
OBACAYH18109.2°109.5°
CAYOBAH19109.5°114.0°
CAWOAVCAU109.9°114.1°
OAVCAWH24109.4°109.5°
OAVCAUCAZ105.9°109.4°
OAVCAUCBB112.8°109.5°
OAVCAUH20109.8°109.5°
CAYCAZCAU105.8°109.1°
CAYCAZO1109.8°109.5°
CAYCAZH17110.4°109.6°
CAZCAYH18107.8°109.6°
OBCCBBCAU109.3°109.4°
OBCCBBH21109.5°109.5°
OBCCBBH22109.5°109.5°
CBBOBCH23109.5°114.0°
CAUCAZO1107.6°109.5°
CAZCAUCBB111.3°109.4°
CAUCAZH17110.8°109.5°
CAZCAUH20108.7°109.5°
CAZO1C1119.6°114.0°
O1CAZH17112.1°109.6°
CAQCAOO6107.0°109.3°
CAQCAOO4109.0°109.4°
CAQCAOCAP109.1°109.4°
CAOCAQH12109.5°109.5°
CAOCAQH13109.5°109.4°
CAOCAQH14109.5°109.4°
C6O6CAO117.7°114.4°
O6C6C5107.2°108.3°
O6C6H3110.0°109.7°
O6C6H4110.0°109.7°
O6CAOO4109.3°110.1°
O6CAOCAP112.6°109.4°
C6C5O5109.2°111.2°
C6C5C4108.6°108.4°
C6C5H2109.1°109.4°
C5C6H3110.0°109.7°
C5C6H4110.1°109.7°
O5C5C4110.2°108.9°
C5O5C1112.3°113.4°
O5C5H2110.4°109.4°
C5C4O4107.5°108.5°
C5C4C3110.5°108.6°
C5C4H1109.2°109.5°
C4C5H2109.3°109.5°
O5C1O1106.3°109.4°
O5C1C2109.8°110.0°
O5C1H16111.8°109.4°
O1C1C2106.3°109.4°
O1C1H16112.0°109.4°
C1C2C3110.5°109.7°
C1C2N2106.7°109.4°
C1C2H10109.4°109.4°
C2C1H16110.4°109.3°
CBBCAUH20108.3°109.5°
CAUCBBH21109.5°109.4°
CAUCBBH22109.5°109.5°
CAOO4C4110.9°113.1°
O4CAOCAP109.7°109.4°
O4C4C3110.2°111.2°
O4C4H1110.3°109.5°
CAOCAPOAR119.4°119.9°
CAOCAPOAS115.8°120.0°
C4C3C2109.7°108.5°
C4C3O3109.9°109.6°
C3C4H1109.1°109.5°
C4C3H9108.8°109.7°
C2C3O3110.0°109.6°
C3C2N2110.8°109.4°
C2C3H9108.7°109.7°
C3C2H10109.3°109.5°
O3C3H9109.8°109.8°
C3O3H11109.5°114.0°
C2N2C7122.9°119.9°
C2N2H8118.5°120.0°
N2C2H10110.1°109.4°
OARCAPOAS124.8°120.0°
CAPOASH15109.5°117.0°
N2C7O7125.0°120.0°
N2C7C8114.5°120.0°
C7N2H8118.6°120.0°
O7C7C8120.5°120.0°
C7C8H5109.5°109.5°
C7C8H6109.5°109.5°
C7C8H7109.5°109.5°
H3C6H4109.5°109.7°
H5C8H6109.5°109.4°
H5C8H7109.4°109.5°
H6C8H7109.4°109.4°
H12CAQH13109.5°109.5°
H12CAQH14109.5°109.5°
H13CAQH14109.5°109.5°
H21CBBH22109.5°109.5°
H25CBIH26109.5°109.5°
H25CBIH27109.5°109.5°
H26CBIH27109.4°109.5°
H30CBGH31109.5°109.5°
H30CBGH32109.5°109.5°
H31CBGH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBHCBFCBGNBE179.4°180.0°
OBHCBFNBECAX1.3°0.0°
OBHCBFNBEH29178.6°180.0°
OBHCBFCBGH300.0°180.0°
OBHCBFCBGH31120.0°60.0°
OBHCBFCBGH32120.0°60.0°
CBIOBDCAWCAX161.0°175.0°
CBIOBDCAWOAV76.3°65.0°
CBIOBDCAWH2443.3°55.0°
OBDCBIH25H26120.0°120.0°
OBDCBIH25H27120.0°120.0°
OBDCBIH26H27120.0°119.9°
OBDCAWCAXOAV120.9°120.0°
OBDCAWCAXH24118.3°120.1°
OBDCAWCAXNBE77.6°62.5°
OBDCAWCAXCAY163.3°177.5°
OBDCAWOAVH24119.4°120.0°
OBDCAWOAVCAU178.9°178.8°
CAWOBDCBIH25180.0°180.0°
CAWOBDCBIH2660.0°59.9°
CAWOBDCBIH2760.0°60.0°
OBDCAWCAXH2841.4°57.6°
CBGCBFNBECAX179.3°180.0°
CBGCBFNBEH290.8°0.1°
CBFCBGH30H31120.0°120.0°
CBFCBGH30H32120.0°119.9°
CBFCBGH31H32120.0°119.9°
CBFNBECAXCAW125.1°85.0°
CBFNBECAXH29180.0°179.9°
CBFNBECAXCAY114.1°155.3°
CBFNBECAXH286.5°35.1°
NBECBFCBGH30179.4°0.0°
NBECBFCBGH3159.4°120.0°
NBECBFCBGH3260.6°120.0°
CAWCAXNBECAY120.8°119.7°
CAWCAXNBEH28118.6°120.1°
CAWCAXCAYH28122.1°119.9°
CAWCAXCAYOBA163.4°176.9°
CAXCAWOAVH24120.1°120.0°
CAXCAWOAVCAU60.7°61.2°
CAWCAXCAYCAZ40.4°57.0°
CAWCAXCAYH1878.0°62.9°
CAWCAXNBEH2954.9°95.0°
NBECAXCAYH28121.2°120.2°
NBECAXCAYOBA79.9°63.2°
NBECAXCAWOAV161.6°177.5°
NBECAXCAYCAZ157.1°176.9°
NBECAXCAYH1838.7°57.0°
NBECAXCAWH2440.7°57.5°
CAXCAYOBACAZ124.2°119.6°
CAXCAYOBAH18117.6°120.2°
CAYCAXCAWOAV42.4°57.6°
CAXCAYCAZH18118.2°119.9°
CAXCAYCAZCAU53.3°57.0°
CAXCAYCAZO1169.2°176.9°
CAXCAYCAZH1766.6°62.9°
CAXCAYOBAH19180.0°60.4°
CAYCAXCAWH2478.4°62.4°
CAYCAXNBEH2965.9°24.6°
OBACAYCAZH18119.1°120.2°
OBACAYCAZCAU175.9°176.9°
OBACAYCAZO168.2°63.2°
OBACAYCAZH1756.0°57.0°
OBACAYCAXH2841.3°57.0°
CAWOAVCAUCAZ75.3°61.2°
CAWOAVCAUCBB162.7°178.9°
CAWOAVCAUH2041.9°58.8°
OAVCAWCAXH2879.5°62.4°
OAVCAUCAZCAY69.6°57.7°
OAVCAUCBBOBC17.9°65.3°
OAVCAUCAZCBB122.9°120.0°
OAVCAUCAZH20117.9°120.1°
OAVCAUCAZO1173.0°177.5°
OAVCAUCBBH20121.7°120.1°
OAVCAUCAZH1750.1°62.3°
OAVCAUCBBH21137.9°174.7°
OAVCAUCBBH22102.0°54.7°
CAUOAVCAWH2459.4°58.8°
CAYCAZCAUO1117.4°119.8°
CAYCAZCAUH17119.7°120.0°
CAYCAZO1H17123.2°120.2°
CAYCAZO1C196.2°139.7°
CAYCAZCAUCBB167.5°177.6°
CAZCAYOBAH1955.8°180.0°
CAYCAZCAUH2048.3°62.4°
CAZCAYCAXH2881.7°62.9°
OBCCBBCAUCAZ100.9°174.8°
OBCCBBCAUH21120.0°120.0°
OBCCBBCAUH22120.0°120.0°
OBCCBBCAUH20139.6°54.8°
OBCCBBH21H22120.1°120.0°
CAUCAZO1H17122.1°120.2°
CAUCAZO1C1149.1°100.7°
CAZCAUCBBH20119.4°120.0°
CAUCAZCAYH1864.9°62.8°
CAZCAUCBBH2119.0°54.8°
CAZCAUCBBH22139.1°65.2°
CAZO1C1O598.4°70.6°
CAZO1C1C2144.6°168.8°
O1CAZCAUCBB50.1°62.5°
CAZO1C1H1623.9°49.1°
O1CAZCAYH1850.9°57.0°
O1CAZCAUH2069.1°57.4°
CAQCAOO6C6171.3°177.4°
CAQCAOO6O4117.9°120.2°
CAQCAOO6CAP119.9°119.7°
CAQCAOO4CAP119.4°119.7°
CAQCAOO4C4173.4°178.1°
CAQCAOCAPOAR96.5°124.7°
CAQCAOCAPOAS85.5°55.3°
CAOCAQH12H13120.0°119.9°
CAOCAQH12H14120.0°120.0°
CAOCAQH13H14120.0°120.0°
O6C6C5H3119.6°119.7°
O6C6C5H4119.6°119.7°
O6C6C5O5176.5°175.6°
O6C6C5C456.3°55.8°
C6O6CAOO453.4°57.3°
C6O6CAOCAP68.8°62.9°
O6C6C5H262.8°63.5°
O6C6H3H4121.0°120.6°
CAOO6C6C553.4°57.2°
O6CAOO4CAP123.9°120.2°
O6CAOO4C456.8°58.0°
O6CAOCAPOAR22.2°115.7°
O6CAOCAPOAS155.8°64.3°
CAOO6C6H3173.0°62.5°
CAOO6C6H466.3°176.9°
O6CAOCAQH12180.0°179.4°
O6CAOCAQH1360.0°59.4°
O6CAOCAQH1460.0°60.6°
C6C5O5C4119.2°119.5°
C6C5O5H2120.0°120.9°
C6C5C4H2119.0°119.3°
C6C5O5C1178.9°178.0°
C6C5C4O463.3°57.3°
C6C5C4C3176.3°178.3°
C6C5C4H156.3°62.2°
C5C6H3H4121.1°120.6°
O5C5C4H2121.5°119.5°
C5O5C1O1176.4°179.3°
C5O5C1C261.8°60.5°
O5C5C4O4177.1°178.5°
O5C5C4C356.8°60.5°
O5C5C4H163.2°59.0°
O5C5C6H363.9°55.8°
O5C5C6H456.8°64.7°
C5O5C1H1661.2°59.5°
C4C5O5C161.9°62.5°
C5C4O4CAO63.9°59.2°
C5C4O4C3120.5°119.4°
C5C4O4H1118.9°119.4°
C5C4C3H1120.0°119.5°
C5C4C3C253.1°58.3°
C5C4C3O3174.0°178.0°
C4C5C6H3175.9°63.9°
C4C5C6H463.3°175.5°
C5C4C3H965.7°61.4°
O5C1O1C2117.0°120.6°
O5C1O1H16122.3°119.8°
O5C1C2H16123.7°120.1°
O5C1C2C357.0°56.2°
O5C1C2N263.5°63.8°
C1O5C5H259.0°57.1°
O5C1C2H10177.4°176.3°
O1C1C2H16121.7°119.7°
O1C1C2C3171.6°176.4°
O1C1C2N251.1°56.4°
O1C1C2H1068.0°63.5°
C1O1CAZH1727.0°19.4°
C1C2C3C453.2°56.3°
C1C2C3N2118.0°120.0°
C1C2C3H10120.5°120.1°
C1C2C3O3174.1°176.0°
C1C2N2H10118.6°119.9°
C1C2N2C7111.0°84.8°
C1C2N2H869.0°95.2°
C1C2C3H965.7°63.4°
CBBCAUCAZH1772.8°57.7°
CAUCBBH21H22120.1°120.0°
CAUCBBOBCH23180.0°180.0°
CAOO4C4C3175.6°178.6°
O4CAOCAPOAR144.2°5.0°
O4CAOCAPOAS33.9°175.0°
CAOO4C4H155.1°60.3°
O4CAOCAQH1262.0°60.0°
O4CAOCAQH13178.1°180.0°
O4CAOCAQH1458.1°60.0°
C4O4CAOCAP67.2°62.2°
O4C4C3H1121.3°121.2°
O4C4C3C2171.7°177.7°
O4C4C3O367.3°62.7°
O4C4C5H255.6°62.0°
O4C4C3H952.9°57.9°
CAOCAPOAROAS177.8°180.0°
CAPCAOCAQH1257.9°59.7°
CAPCAOCAQH1362.1°60.2°
CAPCAOCAQH14177.9°179.7°
CAOCAPOASH15177.9°180.0°
C4C3C2O3120.9°119.6°
C4C3C2H9118.9°119.7°
C4C3O3H9119.6°120.5°
C4C3C2N264.8°63.7°
C3C4C5H264.7°59.0°
C4C3C2H10173.7°176.4°
C4C3O3H11180.0°180.0°
C2C3O3H9119.6°120.6°
C3C2N2H10121.0°119.9°
C3C2N2C7128.6°155.0°
C2C3C4H167.0°61.2°
C3C2N2H851.4°25.0°
C2C3O3H1159.2°61.1°
C3C2C1H1666.8°63.9°
O3C3C2N256.1°55.9°
O3C3C4H154.0°58.5°
O3C3C2H1065.4°64.0°
C2N2C7H8180.0°180.0°
C2N2C7O73.6°0.1°
C2N2C7C8177.3°180.0°
N2C2C3H9176.3°176.6°
N2C2C1H16172.8°176.1°
OARCAPOASH150.0°0.0°
N2C7O7C8179.0°179.9°
N2C7C8H5179.1°90.0°
N2C7C8H660.9°150.0°
N2C7C8H759.1°30.0°
C7N2C2H107.6°35.1°
O7C7C8H50.0°90.0°
O7C7C8H6120.0°30.0°
O7C7C8H7120.0°150.0°
O7C7N2H8176.4°180.0°
C7C8H5H6120.0°120.0°
C7C8H5H7120.0°120.0°
C7C8H6H7120.0°120.0°
C8C7N2H82.7°0.0°
H1C4C5H2175.3°178.5°
H1C4C3H9174.2°179.1°
H2C5C6H356.9°176.7°
H2C5C6H4177.6°56.2°
H5C8H6H7120.0°120.0°
H8N2C2H10172.4°144.9°
H9C3C2H1054.8°56.7°
H9C3O3H1160.4°59.5°
H10C2C1H1653.7°56.2°
H12CAQH13H14120.0°120.0°
H17CAZCAYH18175.1°177.2°
H17CAZCAUH20168.0°177.6°
H18CAYOBAH1962.4°59.8°
H18CAYCAXH28159.9°177.2°
H20CAUCBBH21100.4°65.2°
H20CAUCBBH2219.7°174.8°
H21CBBOBCH2360.1°60.0°
H22CBBOBCH2360.0°60.1°
H24CAWCAXH28159.7°177.7°
H25CBIH26H27120.0°120.1°
H28CAXNBEH29173.5°144.9°
H30CBGH31H32120.0°120.1°

226262

PDB entries from 2024-10-16

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