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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11O11sing1.43Å1.40Å
C11C21sing1.53Å1.55Å
C11O51sing1.43Å1.47Å
C11H111sing1.09Å1.11Å
O11C42sing1.43Å1.43Å
C21N21sing1.47Å1.48Å
C21C31sing1.53Å1.56Å
C21H21sing1.09Å1.12Å
N21H211sing1.01Å1.02Å
N21H212sing1.01Å1.02Å
C31O31sing1.43Å1.36Å
C31C41sing1.53Å1.55Å
C31H311sing1.09Å1.11Å
O31H31sing0.97Å0.95Å
C41O41sing1.43Å1.43Å
C41C51sing1.53Å1.56Å
C41H411sing1.09Å1.12Å
O41H41sing0.97Å0.95Å
C51O51sing1.43Å1.47Å
C51C61sing1.53Å1.54Å
C51H511sing1.09Å1.11Å
C61O61sing1.43Å1.39Å
C61C71sing1.53Å1.55Å
C61H611sing1.09Å1.12Å
O61H61sing0.97Å0.95Å
C71H711sing1.09Å1.11Å
C71H712sing1.09Å1.12Å
C71H713sing1.09Å1.11Å
C12N12sing1.47Å1.48Å
C12C22sing1.53Å1.55Å
C12C62sing1.53Å1.55Å
C12H12sing1.09Å1.12Å
N12H121sing1.01Å1.02Å
N12H122sing1.01Å1.02Å
C22C32sing1.53Å1.55Å
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.11Å
C32N32sing1.47Å1.48Å
C32C42sing1.53Å1.56Å
C32H32sing1.09Å1.12Å
N32H321sing1.01Å1.02Å
N32H322sing1.01Å1.02Å
C42C52sing1.53Å1.55Å
C42H421sing1.09Å1.12Å
C52O52sing1.43Å1.41Å
C52C62sing1.53Å1.54Å
C52H521sing1.09Å1.11Å
O52H52sing0.97Å0.95Å
C62O62sing1.43Å1.42Å
C62H621sing1.09Å1.11Å
O62C13sing1.43Å1.41Å
C13C23sing1.53Å1.55Å
C13O53sing1.43Å1.47Å
C13H131sing1.09Å1.11Å
C23O23sing1.43Å1.42Å
C23C33sing1.53Å1.57Å
C23H231sing1.09Å1.11Å
O23H23sing0.97Å0.95Å
C33N33sing1.47Å1.50Å
C33C43sing1.53Å1.56Å
C33H331sing1.09Å1.11Å
N33C93sing1.47Å1.48Å
N33H33sing1.01Å1.02Å
C93H931sing1.09Å1.11Å
C93H932sing1.09Å1.12Å
C93H933sing1.09Å1.11Å
C43O43sing1.43Å1.43Å
C43C83sing1.53Å1.43Å
C43C53sing1.53Å1.55Å
O43H43sing0.97Å0.95Å
C83H831sing1.09Å1.11Å
C83H832sing1.09Å1.12Å
C83H833sing1.09Å1.11Å
C53O53sing1.43Å1.48Å
C53H531sing1.09Å1.12Å
C53H532sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O11C11C21107.2°109.5°
O11C11O51111.0°109.4°
O11C11H111110.5°109.4°
C11O11C42120.7°106.8°
C21C11O51111.1°109.7°
C21C11H111110.4°109.4°
C11C21N21110.2°109.6°
C11C21C31110.2°109.1°
C11C21H21109.2°109.7°
O51C11H111106.6°109.4°
C11O51C51114.7°107.6°
O11C42C32108.2°109.4°
O11C42C52110.1°109.5°
O11C42H421109.9°109.5°
N21C21C31111.5°109.5°
N21C21H21107.9°109.5°
C21N21H211110.2°106.7°
C21N21H212111.9°106.8°
C31C21H21107.8°109.5°
C21C31O31111.3°109.8°
C21C31C41108.5°108.6°
C21C31H311109.4°109.6°
H211N21H212111.9°106.7°
O31C31C41110.7°109.6°
O31C31H311107.0°109.7°
C31O31H31111.3°106.8°
C41C31H311109.9°109.5°
C31C41O41110.4°109.7°
C31C41C51109.4°109.0°
C31C41H411109.3°109.5°
O41C41C51110.7°109.6°
O41C41H411107.9°109.6°
C41O41H41110.4°106.7°
C51C41H411109.0°109.5°
C41C51O51110.5°109.9°
C41C51C61113.5°109.3°
C41C51H511105.5°109.4°
O51C51C61108.1°109.4°
O51C51H511111.2°109.4°
C61C51H511108.0°109.4°
C51C61O61110.6°109.5°
C51C61C71113.2°109.5°
C51C61H611105.5°109.5°
O61C61C71107.3°109.4°
O61C61H611111.6°109.5°
C61O61H61110.5°106.8°
C71C61H611108.8°109.5°
C61C71H711113.2°109.5°
C61C71H712110.9°109.5°
C61C71H713110.9°109.5°
H711C71H712110.8°109.4°
H711C71H713110.9°109.5°
H712C71H71399.4°109.4°
N12C12C22109.8°109.5°
N12C12C62110.3°109.5°
N12C12H12108.8°109.5°
C12N12H121109.8°106.7°
C12N12H122112.0°106.7°
C22C12C62109.8°109.5°
C22C12H12109.3°109.4°
C12C22C32110.3°109.5°
C12C22H221111.9°109.5°
C12C22H222111.9°109.5°
C62C12H12108.8°109.4°
C12C62C52109.9°109.5°
C12C62O62109.6°109.5°
C12C62H621109.0°109.4°
H121N12H122112.1°106.8°
C32C22H221111.9°109.4°
C32C22H222111.8°109.5°
C22C32N32108.6°109.5°
C22C32C42109.8°109.5°
C22C32H32110.6°109.4°
H221C22H22298.5°109.4°
N32C32C42111.6°109.5°
N32C32H32108.7°109.5°
C32N32H321108.6°106.7°
C32N32H322112.5°106.7°
C42C32H32107.5°109.4°
C32C42C52109.7°109.5°
C32C42H421110.4°109.4°
H321N32H322112.5°106.7°
C52C42H421108.5°109.5°
C42C52O52109.5°109.5°
C42C52C62109.5°109.4°
C42C52H521109.2°109.5°
O52C52C62109.0°109.4°
O52C52H521109.8°109.5°
C52O52H52109.5°106.8°
C62C52H521109.8°109.4°
C52C62O62109.2°109.5°
C52C62H621109.3°109.5°
O62C62H621109.7°109.5°
C62O62C13117.2°106.8°
O62C13C23108.6°109.4°
O62C13O53109.4°109.3°
O62C13H131110.2°109.5°
C23C13O53109.9°109.8°
C23C13H131109.8°109.4°
C13C23O23109.5°109.6°
C13C23C33108.7°109.0°
C13C23H231110.6°109.6°
O53C13H131108.9°109.4°
C13O53C53114.7°107.6°
O23C23C33111.3°109.6°
O23C23H231108.0°109.5°
C23O23H23109.5°106.8°
C33C23H231108.8°109.5°
C23C33N33112.9°109.6°
C23C33C43108.8°108.9°
C23C33H331107.7°109.5°
N33C33C43109.8°109.6°
N33C33H331106.6°109.6°
C33N33C93110.5°106.7°
C33N33H33111.8°106.6°
C43C33H331110.9°109.7°
C33C43O43109.0°109.4°
C33C43C83112.4°109.8°
C33C43C53110.7°109.0°
C93N33H33111.8°106.7°
N33C93H931110.5°109.5°
N33C93H932111.8°109.5°
N33C93H933111.8°109.5°
H931C93H932111.8°109.4°
H931C93H933111.9°109.5°
H932C93H93398.5°109.5°
O43C43C83107.4°109.6°
O43C43C53107.0°109.5°
C43O43H43109.0°106.8°
C83C43C53110.1°109.5°
C43C83H831112.4°109.5°
C43C83H832111.1°109.5°
C43C83H833111.1°109.5°
C43C53O53110.3°109.9°
C43C53H531111.9°109.4°
C43C53H532111.9°109.3°
H831C83H832111.1°109.5°
H831C83H833111.1°109.5°
H832C83H83399.2°109.5°
O53C53H531111.9°109.4°
O53C53H532111.9°109.4°
H531C53H53298.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O11C11C21O51121.5°120.1°
O11C11C21H111120.5°119.9°
O11C11O51H111120.4°119.9°
O11C11C21N2157.1°61.1°
O11C11C21C3166.4°58.7°
O11C11C21H21175.4°178.7°
O11C11O51C5163.6°52.5°
C11O11C42C32158.3°151.0°
C11O11C42C5281.8°89.0°
C11O11C42H42137.7°31.1°
C21C11O51H111120.3°120.0°
C21C11O11C42150.2°164.5°
C11C21N21C31122.7°119.6°
C11C21N21H21119.1°120.3°
C11C21C31H21119.0°120.0°
C11C21N21H211180.0°60.4°
C11C21N21H21254.8°174.2°
C11C21C31O31179.4°173.6°
C11C21C31C4157.3°53.8°
C11C21C31H31162.6°65.9°
C21C11O51C5155.7°67.6°
O51C11O11C4288.2°75.3°
O51C11C21N21178.5°178.8°
O51C11C21C3155.1°61.4°
O51C11C21H2163.1°58.6°
C11O51C51C4156.7°67.6°
C11O51C51C61178.6°172.3°
C11O51C51H51160.2°52.5°
H111C11O11C4229.8°44.6°
H111C11C21N2163.4°58.8°
H111C11C21C31173.1°178.6°
H111C11C21H2154.9°61.4°
H111C11O51C51176.0°172.4°
O11C42C32C22178.9°180.0°
O11C42C32N3260.5°60.0°
O11C42C32C52120.1°120.0°
O11C42C32H421120.3°120.0°
O11C42C32H3258.6°60.0°
O11C42C52H421120.3°120.0°
O11C42C52O5261.7°60.0°
O11C42C52C62178.9°180.0°
O11C42C52H52158.6°60.0°
N21C21C31H21118.2°120.1°
C21N21H211H212125.2°113.8°
N21C21C31O3157.8°66.5°
N21C21C31C41180.0°173.7°
N21C21C31H31160.2°54.0°
C31C21N21H21157.3°180.0°
C31C21N21H212177.5°66.2°
C21C31O31C41120.8°119.2°
C21C31O31H311119.5°120.5°
C21C31C41H311119.6°119.7°
C21C31O31H31180.0°179.2°
C21C31C41O41179.8°173.6°
C21C31C41C5158.1°53.6°
C21C31C41H41161.2°66.1°
H21C21N21H21160.9°59.9°
H21C21N21H21264.3°53.9°
H21C21C31O3160.4°53.6°
H21C21C31C4161.7°66.2°
H21C21C31H311178.4°174.1°
O31C31C41H311118.0°120.4°
O31C31C41O4157.3°66.4°
O31C31C41C51179.4°173.6°
O31C31C41H41161.2°53.8°
C41C31O31H3159.2°60.0°
C31C41O41C51121.3°119.6°
C31C41O41H411119.4°120.2°
C31C41C51H411119.5°119.7°
C31C41O41H41180.0°60.4°
C31C41C51O5157.4°61.2°
C31C41C51C61179.1°178.7°
C31C41C51H51162.9°58.9°
H311C31O31H3160.6°60.3°
H311C31C41O4160.6°53.9°
H311C31C41C5161.4°66.1°
H311C31C41H411179.2°174.2°
O41C41C51H411118.6°120.2°
O41C41C51O51179.3°178.8°
O41C41C51C6159.0°58.7°
O41C41C51H51159.0°61.1°
C51C41O41H4158.7°180.0°
C41C51O51C61124.8°120.0°
C41C51O51H511116.8°120.1°
C41C51C61H511116.6°119.8°
C41C51C61O61177.3°59.7°
C41C51C61C7162.3°179.6°
C41C51C61H61156.6°60.3°
H411C41O41H4160.5°59.8°
H411C41C51O5162.1°58.5°
H411C41C51C6159.5°61.5°
H411C41C51H511177.6°178.6°
O51C51C61H511120.4°119.8°
O51C51C61O6159.7°179.9°
O51C51C61C7160.7°60.0°
O51C51C61H611179.5°60.0°
C51C61O61C71123.9°120.0°
C51C61O61H611117.1°120.0°
C51C61C71H611116.9°120.0°
C51C61O61H61180.0°60.0°
C51C61C71H711180.0°180.0°
C51C61C71H71254.7°60.0°
C51C61C71H71354.7°59.9°
H511C51C61O6160.7°60.1°
H511C51C61C71178.9°59.8°
H511C51C61H61160.1°179.8°
O61C61C71H611120.8°120.0°
O61C61C71H71157.8°60.1°
O61C61C71H712177.0°180.0°
O61C61C71H71367.6°60.0°
C71C61O61H6156.1°60.0°
C61C71H711H712125.3°120.0°
C61C71H711H713125.3°120.1°
C61C71H712H713116.7°120.0°
H611C61O61H6162.9°180.0°
H611C61C71H71163.1°60.0°
H611C61C71H71262.2°60.0°
H611C61C71H713171.6°180.0°
H711C71H712H713116.7°120.0°
N12C12C22C62121.4°120.0°
N12C12C22H12119.3°120.0°
N12C12C62H12119.3°120.0°
C12N12H121H122125.2°113.8°
N12C12C22C32179.7°180.0°
N12C12C22H22154.4°60.0°
N12C12C22H22255.1°60.0°
N12C12C62C52179.6°180.0°
N12C12C62O6259.6°60.0°
N12C12C62H62160.5°60.0°
C22C12C62H12119.6°120.0°
C22C12N12H121180.0°60.0°
C22C12N12H12254.7°53.8°
C12C22C32H221125.3°120.0°
C12C22C32H222125.3°120.1°
C12C22H221H222117.9°120.0°
C12C22C32N32179.6°180.0°
C12C22C32C4258.1°59.9°
C12C22C32H3260.4°60.0°
C22C12C62C5259.3°59.9°
C22C12C62O62179.3°180.0°
C22C12C62H62160.6°60.0°
C62C12N12H12158.9°179.9°
C62C12N12H12266.4°66.2°
C62C12C22C3258.3°59.9°
C62C12C22H22167.0°60.0°
C62C12C22H222176.5°180.0°
C12C62C52C4260.2°60.0°
C12C62C52O52180.0°180.0°
C12C62C52O62120.3°120.1°
C12C62C52H621119.6°119.9°
C12C62C52H52159.7°60.0°
C12C62O62H621119.7°120.0°
C12C62O62C13109.4°87.9°
H12C12N12H12160.4°60.0°
H12C12N12H122174.3°173.8°
H12C12C22C3261.0°60.0°
H12C12C22H221173.7°180.0°
H12C12C22H22264.2°60.0°
H12C12C62C5260.3°60.0°
H12C12C62O6259.7°60.0°
H12C12C62H621179.9°180.0°
C32C22H221H222117.8°120.0°
C22C32N32C42121.2°120.0°
C22C32N32H32120.4°120.0°
C22C32C42H32120.4°120.0°
C22C32N32H321180.0°52.8°
C22C32N32H32254.7°166.6°
C22C32C42C5258.8°60.0°
C22C32C42H42160.7°60.1°
H221C22C32N3255.1°60.0°
H221C22C32C4267.2°60.1°
H221C22C32H32174.3°180.0°
H222C22C32N3254.4°59.9°
H222C22C32C42176.6°180.0°
H222C22C32H3264.8°60.0°
N32C32C42H32119.1°120.0°
C32N32H321H322125.3°113.8°
N32C32C42C52179.3°180.0°
N32C32C42H42159.8°60.0°
C42C32N32H32158.8°172.9°
C42C32N32H322175.9°73.3°
C32C42C52H421120.7°120.0°
C32C42C52O52179.3°180.0°
C32C42C52C6259.9°60.0°
C32C42C52H52160.4°59.9°
H32C32N32H32159.6°67.2°
H32C32N32H32265.6°46.6°
H32C32C42C5261.6°60.0°
H32C32C42H421178.9°180.0°
C42C52O52C62119.8°120.0°
C42C52O52H521119.9°120.1°
C42C52C62H521120.0°120.0°
C42C52O52H52179.9°170.7°
C42C52C62O62179.5°180.0°
C42C52C62H62159.4°60.0°
H421C42C52O5258.7°60.0°
H421C42C52C6260.8°60.0°
H421C42C52H521178.9°179.9°
O52C52C62H521120.3°120.0°
O52C52C62O6259.8°59.9°
O52C52C62H62160.3°60.0°
C62C52O52H5260.3°69.3°
C52C62O62H621119.8°120.0°
C52C62O62C13130.2°152.0°
H521C52O52H5260.0°50.7°
H521C52C62O6260.5°60.1°
H521C52C62H621179.4°180.0°
C62O62C13C23146.7°163.8°
C62O62C13O5393.4°75.9°
C62O62C13H13126.3°43.9°
H621C62O62C1310.3°32.1°
O62C13C23O53119.6°120.0°
O62C13C23H131120.6°119.9°
O62C13O53H131120.6°119.9°
O62C13C23O2361.5°61.2°
O62C13C23C3360.3°58.8°
O62C13C23H231179.6°178.6°
O62C13O53C5359.7°52.5°
C23C13O53H131120.4°120.1°
C13C23O23C33120.2°119.6°
C13C23O23H231120.5°120.3°
C13C23C33H231120.5°119.8°
C13C23O23H23180.0°60.4°
C13C23C33N33179.0°173.5°
C13C23C33C4358.7°53.6°
C13C23C33H33161.6°66.3°
C23C13O53C5359.4°67.6°
O53C13C23O23178.8°178.8°
O53C13C23C3359.4°61.2°
O53C13C23H23160.0°58.6°
C13O53C53C4356.1°67.5°
C13O53C53H53169.2°172.3°
C13O53C53H532178.6°52.5°
H131C13C23O2359.1°58.8°
H131C13C23C33179.1°178.7°
H131C13C23H23159.8°61.5°
H131C13O53C53179.7°172.3°
O23C23C33H231118.9°120.2°
O23C23C33N3358.4°66.5°
O23C23C33C43179.4°173.6°
O23C23C33H33159.1°53.7°
C33C23O23H2359.8°180.0°
C23C33N33C43121.6°119.4°
C23C33N33H331118.1°120.2°
C23C33C43H331118.3°119.8°
C23C33N33C9378.6°90.3°
C23C33N33H33156.1°156.0°
C23C33C43O4361.0°66.3°
C23C33C43C83180.0°173.4°
C23C33C43C5356.4°53.4°
H231C23O23H2359.6°59.9°
H231C23C33N3360.5°53.7°
H231C23C33C4361.7°66.2°
H231C23C33H331177.9°173.9°
N33C33C43H331117.6°120.3°
C33N33C93H33125.2°113.7°
C33N33C93H931180.0°179.9°
C33N33C93H93254.7°60.0°
C33N33C93H93354.7°60.0°
N33C33C43O4363.1°53.6°
N33C33C43C8355.9°66.7°
N33C33C43C53179.5°173.3°
C43C33N33C93159.8°150.3°
C43C33N33H3334.5°36.6°
C33C43O43C83122.1°120.4°
C33C43O43C53119.8°119.4°
C33C43C83C53124.0°119.6°
C33C43O43H43180.0°179.4°
C33C43C83H831180.0°179.6°
C33C43C83H83254.8°59.6°
C33C43C83H83354.7°60.3°
C33C43C53O5353.8°61.0°
C33C43C53H53171.4°178.8°
C33C43C53H532179.1°59.1°
H331C33N33C9339.5°29.9°
H331C33N33H3385.7°83.8°
H331C33C43O43179.3°173.9°
H331C33C43C8361.7°53.6°
H331C33C43C5361.9°66.4°
N33C93H931H932125.2°120.0°
N33C93H931H933125.3°120.0°
N33C93H932H933117.7°120.0°
H33N33C93H93154.8°66.2°
H33N33C93H93270.5°53.7°
H33N33C93H933179.9°173.8°
H931C93H932H933117.8°120.0°
O43C43C83C53116.2°120.2°
O43C43C83H83160.1°60.2°
O43C43C83H832174.7°179.8°
O43C43C83H83365.1°59.8°
O43C43C53O5364.8°58.6°
O43C43C53H531169.9°61.6°
O43C43C53H53260.5°178.7°
C83C43O43H4358.0°60.2°
C43C83H831H832125.3°120.0°
C43C83H831H833125.3°120.0°
C43C83H832H833117.0°120.0°
C83C43C53O53178.8°178.9°
C83C43C53H53153.5°58.7°
C83C43C53H53255.9°61.0°
C53C43O43H4360.2°60.0°
C53C43C83H83156.0°60.0°
C53C43C83H83269.2°60.0°
C53C43C83H833178.7°180.0°
C43C53O53H531125.3°120.2°
C43C53O53H532125.3°120.0°
C43C53H531H532117.8°119.7°
H831C83H832H833117.0°120.0°
O53C53H531H532117.8°119.8°

238895

PDB entries from 2025-07-16

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