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Obsolete: AGR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBNOAXsing1.43Å1.42Å
CBNCBLsing1.53Å1.52Å
OAXC8sing1.43Å1.42Å
C8OAHsing1.43Å1.37Å
C8CBOsing1.53Å1.51Å
CBLO10sing1.43Å1.43Å
CBLCBMsing1.53Å1.42Å
CBMCBOsing1.53Å1.42Å
CBMO14sing1.43Å1.47Å
CBOOBAsing1.43Å1.46Å
OBAP1sing1.61Å1.58Å
O15P1doub1.48Å1.50Å
P1OALsing1.61Å1.50Å
P1OAUsing1.61Å1.62Å
CANOACsing1.43Å1.40Å
CANCBCsing1.53Å1.48Å
OAUCBGsing1.43Å1.43Å
C6O6sing1.43Å1.39Å
C6C5sing1.53Å1.46Å
CBCCBGsing1.56Å1.47Å
CBCOARsing1.44Å1.40Å
CBGCBDsing1.55Å1.39Å
C5O5sing1.43Å1.51Å
C5C4sing1.53Å1.52Å
OARCBHsing1.44Å1.40Å
CBDOAKsing1.43Å1.40Å
CBDCBHsing1.54Å1.51Å
O5C1sing1.43Å1.42Å
O4C4sing1.43Å1.45Å
C4C3sing1.53Å1.45Å
CBHO1sing1.43Å1.47Å
CBHCAOsing1.53Å1.51Å
O1C1sing1.43Å1.42Å
C1C2sing1.53Å1.52Å
C3C2sing1.53Å1.51Å
C3O3sing1.43Å1.45Å
CAOOADsing1.43Å1.41Å
C2O2sing1.43Å1.41Å
O2H1sing0.97Å0.95Å
C2H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
O3H4sing0.97Å0.95Å
C4H5sing1.09Å1.10Å
O4H6sing0.97Å0.95Å
C5H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
O6H10sing0.97Å0.95Å
C1H11sing1.09Å1.10Å
CAOH12sing1.09Å1.10Å
CAOH13sing1.09Å1.10Å
OADH14sing0.97Å0.95Å
CBDH15sing1.09Å1.10Å
OAKH16sing0.97Å0.95Å
CBCH17sing1.09Å1.10Å
CANH18sing1.09Å1.10Å
CANH19sing1.09Å1.10Å
OACH20sing0.97Å0.95Å
CBGH21sing1.09Å1.10Å
OALH22sing0.97Å0.95Å
CBOH23sing1.09Å1.10Å
CBMH24sing1.09Å1.10Å
O14H25sing0.97Å0.95Å
CBLH26sing1.09Å1.10Å
O10H27sing0.97Å0.95Å
CBNH28sing1.09Å1.10Å
CBNH29sing1.09Å1.10Å
C8H30sing1.09Å1.10Å
OAHH31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAXCBNCBL114.1°109.4°
CBNOAXC8116.2°114.2°
OAXCBNH28108.3°109.5°
OAXCBNH29108.3°109.5°
CBNCBLO10108.2°109.5°
CBNCBLCBM115.2°109.2°
CBNCBLH26106.6°109.6°
CBLCBNH28108.3°109.4°
CBLCBNH29108.3°109.6°
OAXC8OAH107.7°109.5°
OAXC8CBO112.8°109.4°
OAXC8H30109.7°109.5°
OAHC8CBO107.7°109.6°
OAHC8H30110.3°109.5°
C8OAHH31109.5°114.0°
C8CBOCBM112.2°109.2°
C8CBOOBA110.7°109.5°
C8CBOH23107.6°109.5°
CBOC8H30108.5°109.4°
O10CBLCBM111.1°109.5°
O10CBLH26107.7°109.5°
CBLO10H27109.5°114.0°
CBLCBMCBO116.2°109.0°
CBLCBMO14111.2°109.6°
CBLCBMH24107.1°109.6°
CBMCBLH26107.7°109.5°
CBOCBMO14108.2°109.5°
CBMCBOOBA109.3°109.5°
CBMCBOH23108.7°109.5°
CBOCBMH24107.2°109.5°
O14CBMH24106.5°109.6°
CBMO14H25109.5°114.0°
CBOOBAP1124.0°123.0°
OBACBOH23108.2°109.5°
OBAP1O15111.1°109.5°
OBAP1OAL106.8°109.5°
OBAP1OAU112.3°109.5°
O15P1OAL110.4°109.4°
O15P1OAU104.3°109.5°
OALP1OAU111.9°109.5°
P1OALH22109.5°114.0°
P1OAUCBG123.1°123.0°
OACCANCBC117.6°109.4°
OACCANH18107.4°109.5°
OACCANH19107.4°109.5°
CANOACH20109.5°114.0°
CANCBCCBG109.5°110.6°
CANCBCOAR112.9°110.7°
CANCBCH17109.1°110.7°
CBCCANH18107.4°109.5°
CBCCANH19107.4°109.4°
OAUCBGCBC109.2°110.9°
OAUCBGCBD109.5°111.0°
OAUCBGH21111.5°110.9°
O6C6C5119.0°109.4°
O6C6H8107.0°109.5°
O6C6H9107.0°109.5°
C6O6H10109.5°113.9°
C6C5O5109.0°109.5°
C6C5C4117.7°109.5°
C6C5H7105.5°109.5°
C5C6H8107.0°109.5°
C5C6H9107.0°109.5°
CBGCBCOAR105.6°103.5°
CBCCBGCBD103.4°102.0°
CBGCBCH17109.2°110.6°
CBCCBGH21110.8°110.9°
CBCOARCBH109.3°107.0°
OARCBCH17110.3°110.6°
CBGCBDOAK112.2°110.5°
CBGCBDCBH102.8°104.2°
CBGCBDH15109.9°110.6°
CBDCBGH21112.2°110.9°
O5C5C4113.8°109.4°
C5O5C1117.7°114.1°
O5C5H7104.9°109.5°
C5C4O4115.3°109.6°
C5C4C3118.1°109.1°
C5C4H5103.6°109.5°
C4C5H7104.8°109.5°
OARCBHCBD102.4°107.4°
OARCBHO1114.6°109.9°
OARCBHCAO114.0°109.9°
OAKCBDCBH113.7°110.5°
OAKCBDH15109.7°110.4°
CBDOAKH16109.5°114.0°
CBDCBHO1106.1°109.9°
CBDCBHCAO110.0°109.9°
CBHCBDH15108.3°110.5°
O5C1O1110.8°109.5°
O5C1C2112.8°109.4°
O5C1H11107.7°109.5°
O4C4C3109.4°109.5°
O4C4H5104.3°109.5°
C4O4H6109.5°114.0°
C4C3C2119.8°109.0°
C4C3O3109.1°109.6°
C4C3H3105.2°109.6°
C3C4H5104.3°109.5°
O1CBHCAO109.1°109.9°
CBHO1C1121.4°114.0°
CBHCAOOAD117.8°109.5°
CBHCAOH12107.4°109.4°
CBHCAOH13107.4°109.5°
O1C1C2111.0°109.4°
O1C1H11107.7°109.5°
C1C2C3114.5°109.2°
C1C2O2110.6°109.5°
C1C2H2105.8°109.6°
C2C1H11106.6°109.6°
C2C3O3111.6°109.6°
C3C2O2112.3°109.5°
C3C2H2105.9°109.5°
C2C3H3104.5°109.5°
O3C3H3105.2°109.5°
C3O3H4109.5°114.0°
OADCAOH12107.4°109.4°
OADCAOH13107.3°109.5°
CAOOADH14109.5°114.0°
C2O2H1109.5°113.9°
O2C2H2107.0°109.5°
H8C6H9109.5°109.5°
H12CAOH13109.5°109.5°
H18CANH19109.5°109.5°
H28CBNH29109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAXCBNCBLH28120.7°120.0°
OAXCBNCBLH29120.7°120.0°
CBNOAXC8OAH168.0°178.9°
CBNOAXC8CBO49.2°61.0°
OAXCBNCBLO1087.9°62.3°
OAXCBNCBLCBM37.2°57.6°
OAXCBNCBLH26156.6°177.5°
OAXCBNH28H29117.9°120.0°
CBNOAXC8H3071.9°58.8°
CBLCBNOAXC842.2°61.1°
CBNCBLO10CBM127.4°119.7°
CBNCBLO10H26114.8°120.2°
CBNCBLCBMH26118.8°120.0°
CBNCBLCBMCBO41.3°57.0°
CBNCBLCBMO14165.7°176.8°
CBNCBLCBMH2478.3°62.9°
CBNCBLO10H27180.0°60.3°
CBLCBNH28H29117.9°120.1°
OAXC8OAHCBO122.0°120.0°
OAXC8OAHH30119.8°120.1°
OAXC8CBOH30121.8°119.9°
OAXC8CBOCBM50.7°57.5°
OAXC8CBOOBA173.1°177.4°
OAXC8CBOH2368.9°62.5°
C8OAXCBNH28162.9°58.8°
C8OAXCBNH2978.5°178.8°
OAXC8OAHH31180.0°60.0°
OAHC8CBOH30119.4°120.1°
OAHC8CBOCBM169.4°177.6°
OAHC8CBOOBA68.2°62.5°
OAHC8CBOH2349.9°57.6°
C8CBOCBMCBL47.6°56.9°
C8CBOCBMOBA123.2°119.9°
C8CBOCBMH23118.8°119.9°
C8CBOCBMO14173.5°176.8°
C8CBOOBAH23117.7°120.1°
C8CBOOBAP1106.1°120.1°
C8CBOCBMH2472.0°63.0°
CBOC8OAHH3158.0°180.0°
O10CBLCBMH26117.8°120.1°
O10CBLCBMCBO82.1°62.9°
O10CBLCBMO1442.2°56.9°
O10CBLCBMH24158.2°177.2°
O10CBLCBNH2832.9°177.7°
O10CBLCBNH29151.5°57.7°
CBLCBMCBOO14125.9°119.9°
CBLCBMCBOH24119.6°119.9°
CBLCBMO14H24116.3°120.3°
CBLCBMCBOOBA170.8°176.9°
CBLCBMCBOH2371.2°63.0°
CBLCBMO14H25180.0°60.5°
CBMCBLO10H2752.6°180.0°
CBMCBLCBNH28157.9°62.4°
CBMCBLCBNH2983.5°177.6°
CBOCBMO14H24114.9°120.2°
CBMCBOOBAH23118.3°120.2°
CBMCBOOBAP1129.8°120.1°
CBOCBMO14H2551.3°180.0°
CBOCBMCBLH26160.1°177.0°
CBMCBOC8H3071.1°62.4°
O14CBMCBOOBA63.3°63.3°
O14CBMCBOH2354.6°56.9°
O14CBMCBLH2675.5°63.2°
CBOOBAP1O1524.3°54.9°
CBOOBAP1OAL144.8°65.0°
CBOOBAP1OAU92.1°175.0°
OBACBOCBMH2451.2°57.0°
OBACBOC8H3051.3°57.6°
OBAP1O15OAL118.3°120.0°
OBAP1O15OAU121.2°120.1°
OBAP1OALOAU123.4°120.1°
OBAP1OAUCBG82.7°175.0°
OBAP1OALH22120.9°60.0°
P1OBACBOH2311.5°0.0°
O15P1OALOAU115.7°120.0°
O15P1OAUCBG157.0°55.0°
O15P1OALH220.0°180.0°
OALP1OAUCBG37.5°65.0°
P1OAUCBGCBC104.2°121.5°
P1OAUCBGCBD143.3°125.9°
P1OAUCBGH2118.5°2.2°
OAUP1OALH22115.8°60.0°
OACCANCBCH18121.2°120.0°
OACCANCBCH19121.2°120.0°
OACCANCBCCBG130.1°175.0°
OACCANCBCOAR12.8°70.9°
OACCANCBCH17110.3°52.1°
OACCANH18H19116.4°120.1°
CANCBCCBGOAU93.2°86.2°
CANCBCCBGOAR121.9°118.6°
CANCBCCBGH17119.5°123.0°
CANCBCOARH17122.4°123.1°
CANCBCCBGCBD150.3°155.5°
CANCBCOARCBH123.8°158.5°
CBCCANH18H19116.3°119.9°
CBCCANOACH20180.0°180.0°
CANCBCCBGH2130.0°37.4°
OAUCBGCBCCBD116.4°118.3°
OAUCBGCBCH21123.2°123.6°
OAUCBGCBCOAR144.9°155.2°
OAUCBGCBDH21124.4°123.7°
OAUCBGCBDOAK81.5°102.3°
OAUCBGCBDCBH155.9°139.0°
OAUCBGCBDH1540.9°20.3°
OAUCBGCBCH1726.2°36.8°
O6C6C5H8121.3°120.0°
O6C6C5H9121.3°120.0°
O6C6C5O567.1°65.0°
O6C6C5C464.4°175.0°
O6C6C5H7179.3°55.0°
O6C6H8H9115.7°120.0°
C6C5O5C4133.5°120.0°
C6C5O5H7112.6°120.1°
C6C5C4H7116.7°120.0°
C6C5O5C1162.8°178.9°
C6C5C4O415.3°57.7°
C6C5C4C3116.8°177.6°
C6C5C4H5128.5°62.5°
C5C6H8H9115.7°120.0°
C5C6O6H10180.0°180.0°
CBGCBCOARH17117.9°118.4°
CBCCBGCBDH21119.4°118.1°
CBGCBCOARCBH4.1°40.0°
CBCCBGCBDOAK162.3°139.5°
CBCCBGCBDCBH39.7°20.9°
CBCCBGCBDH1575.4°97.9°
CBGCBCCANH189.0°55.0°
CBGCBCCANH19108.7°65.0°
OARCBCCBGCBD28.4°37.0°
CBCOARCBHCBD19.6°26.5°
CBCOARCBHO194.9°145.9°
CBCOARCBHCAO138.4°93.0°
OARCBCCANH18108.4°169.0°
OARCBCCANH19133.9°49.0°
OARCBCCBGH2191.9°81.2°
CBGCBDCBHOAR37.3°2.0°
CBGCBDOAKCBH116.1°114.8°
CBGCBDOAKH15122.5°122.7°
CBGCBDCBHH15116.3°118.8°
CBGCBDCBHO183.2°121.5°
CBGCBDCBHCAO158.9°117.5°
CBGCBDOAKH16180.0°65.2°
CBDCBGCBCH1790.2°81.5°
O5C5C4H7114.0°120.0°
O5C5C4O4144.5°62.3°
O5C5C4C312.4°57.6°
C5O5C1O170.7°58.8°
C5O5C1C254.4°61.1°
O5C5C4H5102.2°177.5°
O5C5C6H8171.6°175.0°
O5C5C6H954.3°55.0°
C5O5C1H11171.8°178.9°
C4C5O5C129.3°61.2°
C5C4O4C3136.1°119.7°
C5C4O4H5112.8°120.2°
C5C4C3H5114.2°119.9°
C5C4C3C227.9°57.0°
C5C4C3O3158.4°62.9°
C5C4C3H389.2°176.9°
C5C4O4H6180.0°179.7°
C4C5C6H857.0°55.1°
C4C5C6H9174.3°65.0°
OARCBHCBDOAK158.8°116.7°
OARCBHCBDO1120.5°119.5°
OARCBHCBDCAO121.6°119.5°
OARCBHO1CAO129.3°121.0°
OARCBHO1C146.7°66.3°
OARCBHCAOOAD154.8°53.4°
OARCBHCAOH1284.0°173.3°
OARCBHCAOH1333.6°66.7°
OARCBHCBDH1579.0°120.8°
CBHOARCBCH17113.8°78.5°
OAKCBDCBHH15122.2°122.5°
OAKCBDCBHO138.3°2.8°
OAKCBDCBHCAO79.6°123.8°
OAKCBDCBGH2142.8°21.4°
CBDCBHO1CAO118.5°121.0°
CBDCBHO1C1158.9°175.8°
CBDCBHCAOOAD90.9°171.3°
CBDCBHCAOH1230.3°68.8°
CBDCBHCAOH13147.9°51.3°
CBHCBDOAKH1663.9°180.0°
CBHCBDCBGH2179.7°97.3°
O5C1O1CBH91.9°70.1°
O5C1O1C2126.2°119.9°
O5C1O1H11117.5°120.0°
O5C1C2H11118.0°120.0°
O5C1C2C337.0°57.6°
O5C1C2O2165.2°177.4°
O5C1C2H279.2°62.4°
C1O5C5H784.7°58.8°
O4C4C3H5111.1°120.2°
O4C4C3C2162.6°62.9°
O4C4C3O366.9°177.2°
O4C4C3H345.5°56.9°
O4C4C5H7101.4°177.7°
C4C3C2C13.1°57.0°
C4C3C2O3129.3°119.9°
C4C3C2H3117.5°119.9°
C4C3O3H3112.5°120.3°
C4C3C2O2124.1°176.9°
C4C3C2H2119.4°63.0°
C4C3O3H4180.0°179.6°
C3C4O4H643.9°60.0°
C3C4C5H7126.5°62.4°
CBHO1C1C2141.9°170.1°
O1CBHCAOOAD25.2°67.7°
CBHO1C1H1125.6°50.0°
O1CBHCAOH12146.4°52.3°
O1CBHCAOH1396.0°172.3°
O1CBHCBDH15160.5°119.7°
CAOCBHO1C182.6°54.7°
CBHCAOOADH12121.2°119.9°
CBHCAOOADH13121.2°120.1°
CBHCAOH12H13116.2°120.0°
CBHCAOOADH14180.0°180.0°
CAOCBHCBDH1542.6°1.3°
O1C1C2H11117.0°120.1°
O1C1C2C388.0°62.4°
O1C1C2O240.2°57.5°
O1C1C2H2155.7°177.6°
C1C2C3O2127.2°119.9°
C1C2C3H2116.3°120.0°
C1C2C3O3132.5°62.9°
C1C2O2H2114.8°120.2°
C1C2O2H1180.0°60.1°
C1C2C3H3114.3°177.0°
C2C3O3H3112.8°120.1°
C3C2O2H2115.8°120.1°
C3C2O2H150.7°179.8°
C2C3O3H445.3°60.0°
C2C3C4H586.3°176.9°
C3C2C1H11155.0°177.5°
O3C3C2O25.2°57.0°
O3C3C2H2111.3°177.1°
O3C3C4H544.2°57.0°
OADCAOH12H13116.2°120.0°
O2C2C3H3118.4°63.2°
O2C2C1H1176.8°62.6°
H1O2C2H265.1°60.1°
H2C2C3H31.9°56.9°
H2C2C1H1138.7°57.5°
H3C3O3H467.5°60.1°
H3C3C4H5156.6°63.2°
H5C4O4H667.1°60.1°
H5C4C5H711.8°57.5°
H7C5C6H859.4°64.9°
H7C5C6H957.9°175.0°
H8C6O6H1058.6°60.0°
H9C6O6H1058.7°60.0°
H12CAOOADH1458.8°60.0°
H13CAOOADH1458.8°60.0°
H15CBDOAKH1657.5°57.5°
H15CBDCBGH21165.2°144.0°
H17CBCCANH18128.5°68.0°
H17CBCCANH1910.8°172.0°
H17CBCCBGH21149.4°160.4°
H18CANOACH2058.9°60.0°
H19CANOACH2058.9°60.0°
H23CBOCBMH24169.1°177.1°
H23CBOC8H30169.4°177.7°
H24CBMO14H2563.7°59.8°
H24CBMCBLH2640.4°57.1°
H26CBLO10H2765.2°59.9°
H26CBLCBNH2882.7°57.5°
H26CBLCBNH2935.9°62.4°
H30C8OAHH3160.2°60.1°

224931

PDB entries from 2024-09-11

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