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235

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C35C34sing1.38Å1.42ÅAromatic
C35C36doub1.38Å1.42ÅAromatic
C35H35sing1.08Å1.08Å
C36C37sing1.38Å1.42ÅAromatic
C36H36sing1.08Å1.08Å
C37C38doub1.38Å1.42ÅAromatic
C37H37sing1.08Å1.08Å
C38C39sing1.38Å1.42ÅAromatic
C38H38sing1.08Å1.08Å
C39C34doub1.38Å1.42ÅAromatic
C39H39sing1.08Å1.08Å
C34S32sing1.76Å1.75Å
S32N31sing1.66Å1.66Å
S32O33doub1.42Å1.44Å
S32O32doub1.42Å1.50Å
N31C27sing1.46Å1.42Å
N31HN31sing0.97Å1.00Å
C27C28sing1.53Å1.56Å
C27P24sing1.82Å1.84Å
C27H27sing1.09Å1.10Å
C28C30sing1.53Å1.53Å
C28C29sing1.53Å1.53Å
C28H28sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C30H303sing1.09Å1.10Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
C29H293sing1.09Å1.10Å
P24O25doub1.48Å1.48Å
P24C15sing1.82Å1.83Å
P24O26sing1.61Å1.49Å
O26HO26sing0.97Å0.95Å
C15C1sing1.53Å1.55Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C1C3sing1.51Å1.54Å
C1C2sing1.51Å1.55Å
C1H1sing1.09Å1.10Å
C2O14doub1.21Å1.25Å
C2O13sing1.34Å1.26Å
O13HO13sing0.97Å0.95Å
C3C8doub1.38Å1.41ÅAromatic
C3C4sing1.38Å1.43ÅAromatic
C8C7sing1.38Å1.42ÅAromatic
C8H8sing1.08Å1.08Å
C4C5doub1.38Å1.41ÅAromatic
C4H4sing1.08Å1.08Å
C5C6sing1.38Å1.42ÅAromatic
C5H5sing1.08Å1.08Å
C6C7doub1.38Å1.42ÅAromatic
C6H6sing1.08Å1.08Å
C7C9sing1.51Å1.53Å
C9N10sing1.47Å1.47Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
N10H101sing1.01Å1.00Å
N10H102sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C34C35C36120.2°120.0°
C34C35H35119.9°120.0°
C35C34C39119.9°120.0°
C35C34S32120.0°120.0°
C36C35H35119.9°120.0°
C35C36C37119.8°120.0°
C35C36H36120.1°120.0°
C37C36H36120.1°120.0°
C36C37C38120.0°120.0°
C36C37H37120.0°120.0°
C38C37H37120.0°120.0°
C37C38C39120.2°120.0°
C37C38H38119.9°120.0°
C39C38H38119.9°120.0°
C38C39C34120.0°120.0°
C38C39H39120.0°120.0°
C34C39H39120.0°120.0°
C39C34S32120.1°120.0°
C34S32N31110.5°107.3°
C34S32O33109.2°106.3°
C34S32O32108.8°106.4°
N31S32O33109.1°106.4°
N31S32O32109.7°106.4°
S32N31C27124.8°120.0°
S32N31HN31104.7°120.0°
O33S32O32109.4°123.2°
C27N31HN31104.6°120.0°
N31C27C28111.6°109.5°
N31C27P24109.6°109.5°
N31C27H27109.6°109.5°
C28C27P24114.0°109.5°
C28C27H27104.8°109.4°
C27C28C30113.2°109.5°
C27C28C29110.7°109.5°
C27C28H28105.9°109.4°
P24C27H27106.9°109.5°
C27P24O25107.0°109.5°
C27P24C15114.2°109.5°
C27P24O26103.8°109.5°
C30C28C29109.1°109.5°
C30C28H28107.6°109.5°
C28C30H301109.5°109.5°
C28C30H302109.5°109.5°
C28C30H303109.5°109.5°
C29C28H28110.3°109.5°
C28C29H291109.5°109.5°
C28C29H292109.5°109.5°
C28C29H293109.5°109.4°
H301C30H302109.5°109.4°
H301C30H303109.4°109.5°
H302C30H303109.5°109.5°
H291C29H292109.5°109.4°
H291C29H293109.4°109.5°
H292C29H293109.5°109.5°
O25P24C15107.2°109.5°
O25P24O26117.1°109.5°
C15P24O26107.7°109.5°
P24C15C1112.7°109.5°
P24C15H151108.4°109.5°
P24C15H152107.7°109.5°
P24O26HO26109.5°114.0°
C1C15H151108.4°109.4°
C1C15H152107.6°109.5°
C15C1C3110.7°109.5°
C15C1C2112.9°109.4°
C15C1H1105.6°109.5°
H151C15H152112.1°109.4°
C3C1C2107.7°109.5°
C3C1H1111.1°109.5°
C1C3C8118.9°120.0°
C1C3C4121.2°120.0°
C2C1H1108.8°109.5°
C1C2O14116.4°120.0°
C1C2O13117.8°120.0°
O14C2O13125.8°120.0°
C2O13HO13109.5°117.0°
C8C3C4119.7°120.0°
C3C8C7120.1°120.0°
C3C8H8119.9°120.0°
C3C4C5120.1°120.0°
C3C4H4120.0°120.0°
C7C8H8119.9°120.0°
C8C7C6120.1°120.0°
C8C7C9119.7°120.0°
C5C4H4120.0°120.0°
C4C5C6119.8°120.0°
C4C5H5120.1°120.0°
C6C5H5120.1°120.0°
C5C6C7120.1°120.0°
C5C6H6119.9°119.9°
C7C6H6120.0°120.0°
C6C7C9120.2°120.0°
C7C9N10109.1°109.5°
C7C9H91109.6°109.5°
C7C9H92109.6°109.5°
N10C9H91109.6°109.4°
N10C9H92109.7°109.5°
C9N10H101109.5°111.0°
C9N10H102109.5°111.0°
H91C9H92109.2°109.4°
H101N10H102109.4°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C34C35C36H35180.0°179.7°
C34C35C36C370.1°0.1°
C34C35C36H36179.9°180.0°
C35C34C39C380.1°0.1°
C35C34C39S32178.7°180.0°
C35C34C39H39179.9°180.0°
C35C34S32N31140.3°90.0°
C35C34S32O3320.2°156.5°
C35C34S32O3299.2°23.6°
C35C36C37H36180.0°179.9°
C35C36C37C380.1°0.1°
C35C36C37H37179.9°180.0°
C36C35C34C390.0°0.0°
C36C35C34S32178.7°180.0°
H35C35C36C37179.9°179.7°
H35C35C36H360.1°0.3°
H35C35C34C39180.0°179.6°
H35C35C34S321.3°0.4°
C36C37C38H37180.0°180.0°
C36C37C38C390.0°0.0°
C36C37C38H38180.0°180.0°
H36C36C37C38179.9°180.0°
H36C36C37H370.1°0.0°
C37C38C39H38180.0°180.0°
C37C38C39C340.0°0.1°
C37C38C39H39180.0°180.0°
H37C37C38C39180.0°179.9°
H37C37C38H380.0°0.0°
C38C39C34H39180.0°179.9°
C38C39C34S32178.8°179.9°
H38C38C39C34180.0°179.9°
H38C38C39H390.0°0.0°
C39C34S32N3141.0°90.0°
C39C34S32O33161.1°23.5°
C39C34S32O3279.5°156.4°
H39C39C34S321.2°0.0°
C34S32N31O33120.1°113.5°
C34S32N31O32120.0°113.6°
C34S32O33O32119.0°122.9°
C34S32N31C27148.6°65.1°
C34S32N31HN3191.4°114.8°
N31S32O33O32120.0°123.0°
S32N31C27HN31120.0°179.9°
S32N31C27C28111.1°112.0°
S32N31C27P24121.6°127.9°
S32N31C27H274.5°7.9°
O33S32N31C2791.3°48.3°
O33S32N31HN3128.7°131.7°
O32S32N31C2728.6°178.7°
O32S32N31HN31148.6°1.2°
N31C27C28P24124.9°120.0°
N31C27C28H27118.5°120.0°
N31C27P24H27118.8°120.0°
N31C27C28C3053.4°174.4°
N31C27C28C2969.4°54.4°
N31C27C28H28171.1°65.6°
N31C27P24O25175.6°45.5°
N31C27P24C1557.1°165.5°
N31C27P24O2659.9°74.5°
HN31N31C27C288.9°68.0°
HN31N31C27P24118.4°52.0°
HN31N31C27H27124.5°172.0°
C28C27P24H27115.3°120.0°
C27C28C30C29123.7°120.0°
C27C28C30H28116.7°119.9°
C27C28C29H28116.8°119.9°
C27C28C30H301130.1°51.0°
C27C28C30H302109.9°171.0°
C27C28C30H30310.1°69.0°
C27C28C29H2916.1°61.5°
C27C28C29H292126.1°178.5°
C27C28C29H293113.9°58.5°
C28C27P24O2549.7°165.5°
C28C27P24C1568.8°74.5°
C28C27P24O26174.2°45.5°
P24C27C28C3071.5°65.5°
P24C27C28C29165.7°174.4°
P24C27C28H2846.2°54.5°
C27P24O25C15122.9°120.0°
C27P24O25O26116.0°120.0°
C27P24C15O26114.7°120.0°
C27P24O26HO26167.8°54.1°
C27P24C15C1161.7°170.0°
C27P24C15H15178.3°50.0°
C27P24C15H15243.1°70.0°
H27C27C28C30172.0°54.5°
H27C27C28C2949.1°65.6°
H27C27C28H2870.4°174.5°
H27C27P24O2565.6°74.5°
H27C27P24C15175.9°45.5°
H27C27P24O2658.9°165.5°
C30C28C29H28117.9°120.1°
C28C30H301H302120.0°120.0°
C28C30H301H303120.0°120.0°
C28C30H302H303120.0°120.1°
C30C28C29H291119.2°178.5°
C30C28C29H2920.9°58.5°
C30C28C29H293120.9°61.5°
C29C28C30H301106.2°69.0°
C29C28C30H30213.8°51.0°
C29C28C30H303133.9°171.0°
C28C29H291H292120.0°120.0°
C28C29H291H293120.0°120.0°
C28C29H292H293120.0°120.0°
H28C28C30H30113.5°171.0°
H28C28C30H302133.5°69.1°
H28C28C30H303106.5°51.0°
H28C28C29H291122.9°58.4°
H28C28C29H292117.1°61.6°
H28C28C29H2932.9°178.4°
H301C30H302H303120.0°120.0°
H291C29H292H293120.0°120.0°
O25P24C15O26126.8°120.0°
O25P24O26HO2650.0°174.2°
O25P24C15C179.9°50.0°
O25P24C15H15140.1°70.0°
O25P24C15H152161.6°170.0°
C15P24O26HO2670.8°65.8°
P24C15C1H151120.0°120.0°
P24C15C1H152118.6°120.1°
P24C15H151H152118.7°120.0°
P24C15C1C3171.0°165.0°
P24C15C1C268.2°75.0°
P24C15C1H150.7°45.0°
O26P24C15C147.0°70.0°
O26P24C15H151166.9°170.0°
O26P24C15H15271.6°50.0°
C1C15H151H152118.7°120.0°
C15C1C3C2123.9°120.0°
C15C1C3H1117.1°120.0°
C15C1C2H1117.0°120.0°
C15C1C2O14147.9°0.0°
C15C1C2O1333.7°180.0°
C15C1C3C8129.5°120.0°
C15C1C3C455.3°59.7°
H151C15C1C351.0°45.0°
H151C15C1C2171.8°165.0°
H151C15C1H169.3°75.0°
H152C15C1C370.4°74.9°
H152C15C1C250.4°45.0°
H152C15C1H1169.2°165.0°
C3C1C2H1120.5°120.0°
C3C1C2O1489.6°120.0°
C3C1C2O1388.8°60.0°
C1C3C8C4175.3°179.7°
C1C3C8C7174.8°180.0°
C1C3C8H85.2°0.0°
C1C3C4C5174.6°180.0°
C1C3C4H45.4°0.0°
C1C2O14O13178.2°180.0°
C1C2O13HO13178.2°180.0°
C2C1C3C8106.6°120.0°
C2C1C3C468.6°60.3°
H1C1C2O1431.0°119.9°
H1C1C2O13150.6°60.0°
H1C1C3C812.5°0.0°
H1C1C3C4172.3°179.7°
O14C2O13HO130.0°0.1°
C3C8C7H8180.0°180.0°
C8C3C4C50.6°0.3°
C8C3C4H4179.5°179.7°
C3C8C7C60.3°0.0°
C3C8C7C9179.1°180.0°
C4C3C8C70.5°0.3°
C4C3C8H8179.5°179.7°
C3C4C5H4180.0°179.9°
C3C4C5C60.3°0.1°
C3C4C5H5179.7°180.0°
C8C7C6C50.0°0.4°
C8C7C6C9179.4°179.9°
C8C7C6H6180.0°180.0°
C8C7C9N1083.4°90.0°
C8C7C9H9136.6°150.0°
C8C7C9H92156.5°30.0°
H8C8C7C6179.8°179.9°
H8C8C7C90.8°0.0°
C4C5C6H5180.0°180.0°
C4C5C6C70.0°0.4°
C4C5C6H6180.0°180.0°
H4C4C5C6179.7°180.0°
H4C4C5H50.3°0.0°
C5C6C7H6180.0°179.6°
C5C6C7C9179.4°179.7°
H5C5C6C7180.0°179.6°
H5C5C6H60.0°0.1°
C6C7C9N1096.0°90.0°
C6C7C9H91144.0°29.9°
C6C7C9H9224.1°149.9°
H6C6C7C90.6°0.1°
C7C9N10H91120.0°120.0°
C7C9N10H92120.1°120.1°
C7C9H91H92120.1°120.0°
C7C9N10H101179.7°179.9°
C7C9N10H10260.3°56.0°
N10C9H91H92120.2°120.0°
C9N10H101H102120.0°124.0°
H91C9N10H10159.7°59.9°
H91C9N10H102179.7°176.0°
H92C9N10H10160.2°60.0°
H92C9N10H10259.8°64.0°

223790

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