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Obsolete: NT2

NT2 was replaced with GU4 on
Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S81O82sing1.63Å1.37Å
S81O8Qdoub1.45Å54.16Å
S81O8Rdoub1.45Å54.16Å
S81O8Ssing1.63Å54.16Å
O82C83sing1.43Å1.45Å
C83C84sing1.54Å1.59Å
C83C8Csing1.53Å1.55Å
C83H83sing1.09Å1.12Å
C84O85sing1.43Å1.47Å
C84C86sing1.53Å1.59Å
C84H84sing1.10Å1.12Å
O85C8Osing1.43Å1.51Å
C86O87sing1.42Å1.45Å
C86H861sing1.09Å1.12Å
C86H862sing1.09Å1.11Å
O87S88sing1.64Å58.01Å
C8CO8Dsing1.42Å1.42Å
C8CC8Ising1.53Å1.55Å
C8CH8Csing1.10Å1.11Å
O8DS8Esing1.63Å53.46Å
C8IO8Jsing1.43Å1.41Å
C8IC8Osing1.53Å1.61Å
C8IH8Ising1.10Å1.11Å
O8JS8Ksing1.63Å54.25Å
C8OO8Psing1.43Å1.43Å
C8OH8Osing1.09Å1.11Å
O8PH8Psing0.97Å0.95Å
S88O8Adoub1.45Å0.00Å
S88O8Bdoub1.45Å0.00Å
S88O89sing1.63Å0.00Å
O89H89sing0.99Å0.95Å
O8SH8Ssing0.99Å0.95Å
S8EO8Fdoub1.45Å0.00Å
S8EO8Gdoub1.45Å0.00Å
S8EO8Hsing1.63Å0.00Å
O8HH8Hsing0.99Å0.95Å
S8KO8Ldoub1.45Å0.00Å
S8KO8Mdoub1.45Å0.00Å
S8KO8Nsing1.63Å0.00Å
O8NH8Nsing0.99Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O82S81O8Q94.6°107.4°
O82S81O8R94.6°109.0°
O82S81O8S94.6°103.7°
S81O82C83119.9°119.7°
O8QS81O8R0.0°120.1°
O8QS81O8S0.0°107.6°
O8RS81O8S0.0°107.9°
S81O8SH8S94.6°115.7°
O82C83C84103.9°108.3°
O82C83C8C107.1°107.6°
O82C83H83119.1°107.0°
C84C83C8C120.5°113.5°
C84C83H83105.3°109.7°
C83C84O85108.4°111.7°
C83C84C8699.4°113.7°
C83C84H84117.8°108.1°
C8CC83H83102.0°110.5°
C83C8CO8D87.7°110.0°
C83C8CC8I101.8°111.9°
C83C8CH8C126.9°109.4°
O85C84C86113.1°111.2°
O85C84H84105.0°105.1°
C84O85C8O120.8°114.9°
C86C84H84113.3°106.6°
C84C86O87110.7°108.5°
C84C86H861111.8°110.0°
C84C86H862111.8°109.9°
O85C8OC8I120.5°110.6°
O85C8OO8P111.3°110.4°
O85C8OH8O98.9°109.3°
O87C86H861111.7°109.3°
O87C86H862111.8°109.3°
C86O87S8843.4°120.0°
H861C86H86298.7°109.8°
O87S88O8A90.0°107.7°
O87S88O8B90.0°108.8°
O87S88O8990.0°103.5°
O8DC8CC8I111.6°108.5°
O8DC8CH8C118.9°107.7°
C8CO8DS8E106.0°119.6°
C8IC8CH8C107.8°109.3°
C8CC8IO8J122.9°109.5°
C8CC8IC8O116.6°111.3°
C8CC8IH8I90.9°110.6°
O8DS8EO8F90.0°107.3°
O8DS8EO8G90.0°109.1°
O8DS8EO8H90.0°103.7°
O8JC8IC8O109.7°109.6°
O8JC8IH8I101.8°106.7°
C8IO8JS8K110.2°119.7°
C8OC8IH8I111.5°109.1°
C8IC8OO8P106.0°108.4°
C8IC8OH8O104.9°111.0°
O8JS8KO8L90.0°107.5°
O8JS8KO8M90.0°109.0°
O8JS8KO8N90.0°103.6°
O8PC8OH8O115.4°107.0°
C8OO8PH8P111.3°106.5°
O8AS88O8B90.0°120.2°
O8AS88O8990.0°107.5°
O8BS88O8990.0°107.9°
S88O89H8990.0°115.7°
O8FS8EO8G90.0°120.1°
O8FS8EO8H90.0°107.6°
O8GS8EO8H90.0°107.9°
S8EO8HH8H90.0°115.7°
O8LS8KO8M90.0°120.2°
O8LS8KO8N90.0°107.5°
O8MS8KO8N90.0°107.9°
S8KO8NH8N90.0°115.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O82S81O8QO8R90.0°125.2°
O82S81O8QO8S90.0°111.0°
O82S81O8RO8S90.0°111.9°
S81O82C83C84130.5°56.9°
S81O82C83C8C101.0°180.0°
S81O82C83H8313.8°61.2°
O82S81O8SH8S180.0°52.4°
O8QS81O8RO8S90.0°123.6°
O8QS81O82C83117.2°59.9°
O8QS81O8SH8S90.0°166.0°
O8RS81O82C83117.2°71.7°
O8RS81O8SH8S90.0°63.1°
O8SS81O82C83117.2°173.6°
O82C83C84C8C119.8°119.4°
O82C83C84H83125.9°116.5°
O82C83C8CH83125.8°116.5°
O82C83C84O85176.1°72.9°
O82C83C84C8665.5°160.3°
O82C83C84H8457.2°42.2°
O82C83C8CO8D65.7°163.6°
O82C83C8CC8I177.3°75.8°
O82C83C8CH8C59.4°45.5°
C84C83C8CH83115.9°123.7°
C83C84O85C86109.2°128.2°
C83C84O85H84126.7°117.0°
C83C84C86H84125.8°119.0°
C83C84O85C8O23.9°55.9°
C83C84C86O8789.6°60.4°
C83C84C86H86135.6°180.0°
C83C84C86H862145.1°59.1°
C84C83C8CO8D176.1°76.6°
C84C83C8CC8I64.5°44.1°
C84C83C8CH8C58.8°165.3°
C8CC83C84O8556.3°46.5°
C8CC83C84C86174.6°80.3°
C8CC83C84H8462.6°161.6°
C83C8CO8DC8I101.8°122.7°
C83C8CO8DH8C131.7°119.2°
C83C8CC8IH8C135.4°121.3°
C83C8CO8DS8E137.6°180.0°
C83C8CC8IO8J177.0°73.1°
C83C8CC8IC8O42.4°48.2°
C83C8CC8IH8I72.3°169.6°
H83C83C84O8557.9°170.7°
H83C83C84C8660.4°43.9°
H83C83C84H84176.9°74.2°
H83C83C8CO8D60.1°47.1°
H83C83C8CC8I51.5°167.7°
H83C83C8CH8C174.8°71.0°
O85C84C86H84119.5°113.9°
O85C84C86O8725.1°172.5°
O85C84C86H861150.3°53.0°
O85C84C86H862100.2°68.0°
C84O85C8OC8I10.7°60.9°
C84O85C8OO8P114.3°179.1°
C84O85C8OH8O123.9°61.6°
C86C84O85C8O133.1°72.2°
C84C86O87H861125.3°119.9°
C84C86O87H862125.3°119.9°
C84C86H861H862117.7°121.1°
C84C86O87S8858.6°180.0°
H84C84O85C8O102.8°172.9°
H84C84C86O87144.6°58.6°
H84C84C86H86190.2°60.9°
H84C84C86H86219.3°178.1°
O85C8OC8IC8C21.5°55.7°
O85C8OC8IO8J167.0°65.5°
O85C8OC8IO8P127.4°121.1°
O85C8OC8IH8O110.0°121.5°
O85C8OC8IH8I80.9°178.0°
O85C8OO8PH8O111.6°118.9°
O85C8OO8PH8P180.0°0.3°
O87C86H861H862117.7°119.9°
C86O87S88O8A90.0°60.0°
C86O87S88O8B90.0°71.7°
C86O87S88O8990.0°173.7°
H861C86O87S8866.7°60.1°
H862C86O87S88176.2°60.1°
O87S88O8AO8B90.0°125.2°
O87S88O8AO8990.0°111.0°
O87S88O8BO8990.0°111.7°
O87S88O89H8990.0°52.2°
O8DC8CC8IH8C132.4°117.1°
O8DC8CC8IO8J84.9°165.3°
O8DC8CC8IC8O134.6°73.4°
O8DC8CC8IH8I19.9°48.1°
C8CO8DS8EO8F90.0°60.0°
C8CO8DS8EO8G90.0°71.6°
C8CO8DS8EO8H90.0°173.6°
C8IC8CO8DS8E120.6°57.3°
C8CC8IO8JC8O142.9°122.3°
C8CC8IO8JH8I98.9°119.7°
C8CC8IC8OH8I102.5°122.3°
C8CC8IO8JS8K1.6°60.0°
C8CC8IC8OO8P105.9°176.8°
C8CC8IC8OH8O131.5°65.9°
H8CC8CO8DS8E6.0°60.8°
H8CC8CC8IO8J47.5°48.2°
H8CC8CC8IC8O93.0°169.5°
H8CC8CC8IH8I152.2°69.0°
O8DS8EO8FO8G90.0°125.2°
O8DS8EO8FO8H90.0°111.0°
O8DS8EO8GO8H90.0°112.0°
O8DS8EO8HH8H90.0°52.5°
O8JC8IC8OH8I112.0°116.5°
O8JC8IC8OO8P39.6°55.6°
O8JC8IC8OH8O83.0°172.9°
C8IO8JS8KO8L90.0°60.0°
C8IO8JS8KO8M90.0°71.7°
C8IO8JS8KO8N90.0°173.6°
C8OC8IO8JS8K144.5°177.7°
C8IC8OO8PH8O115.7°119.9°
C8IC8OO8PH8P47.3°121.0°
H8IC8IO8JS8K97.2°59.7°
H8IC8IC8OO8P151.7°60.8°
H8IC8IC8OH8O29.0°56.5°
O8JS8KO8LO8M90.0°125.2°
O8JS8KO8LO8N90.0°111.0°
O8JS8KO8MO8N90.0°111.9°
O8JS8KO8NH8N90.0°52.4°
H8OC8OO8PH8P68.4°119.2°
O8AS88O8BO8990.0°123.6°
O8AS88O89H8990.0°165.9°
O8BS88O89H8990.0°63.1°
O8FS8EO8GO8H90.0°123.6°
O8FS8EO8HH8H90.0°166.0°
O8GS8EO8HH8H90.0°63.1°
O8LS8KO8MO8N90.0°123.7°
O8LS8KO8NH8N90.0°165.9°
O8MS8KO8NH8N90.0°63.1°

246704

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