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GNQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O5Sdoub1.42Å1.46Å
SO4doub1.42Å1.42Å
SC17sing1.81Å1.71Å
SC16sing1.81Å1.69Å
C17C18sing1.51Å1.51Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18C20sing1.38Å1.38ÅAromatic
C18C19doub1.38Å1.39ÅAromatic
C20C21doub1.38Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
C21C22sing1.38Å1.38ÅAromatic
C21H21sing1.08Å1.08Å
C22C23doub1.38Å1.39ÅAromatic
C22H22sing1.08Å1.08Å
C23C19sing1.38Å1.40ÅAromatic
C23H23sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C16CAsing1.53Å1.55Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
CANsing1.46Å1.48Å
CACsing1.51Å1.51Å
CAHAsing1.09Å1.10Å
NC11sing1.35Å1.35Å
NHNsing0.97Å1.00Å
C11O3doub1.22Å1.25Å
C11N3sing1.35Å1.35Å
N3C15sing1.47Å1.49Å
N3C12sing1.47Å1.46Å
C15C14sing1.53Å1.52Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C14O2sing1.43Å1.43Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
O2C13sing1.43Å1.41Å
C13C12sing1.53Å1.52Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
COdoub1.21Å1.23Å
CN2sing1.35Å1.35Å
N2C9sing1.46Å1.46Å
N2HN2sing0.97Å1.00Å
C9C10sing1.53Å1.53Å
C9C8sing1.53Å1.51Å
C9H9sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C10H103sing1.09Å1.10Å
C8N1sing1.46Å1.47Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
N1C7sing1.40Å1.37Å
N1HN1sing0.97Å1.00Å
C7C6doub1.39Å1.38ÅAromatic
C7C4sing1.39Å1.40ÅAromatic
C6C5sing1.38Å1.39ÅAromatic
C6H6sing1.08Å1.08Å
C5C2doub1.39Å1.37ÅAromatic
C5H5sing1.08Å1.08Å
C4C3doub1.38Å1.41ÅAromatic
C4H4sing1.08Å1.08Å
C3C2sing1.39Å1.40ÅAromatic
C3H3sing1.08Å1.08Å
C2O1sing1.36Å1.40Å
O1C1sing1.43Å1.42Å
C1F1sing1.40Å1.33Å
C1F2sing1.40Å1.33Å
C1F3sing1.40Å1.31Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O5SO4111.9°119.6°
O5SC17108.8°109.0°
O5SC16105.8°109.0°
O4SC17109.8°109.0°
O4SC16113.8°109.0°
C17SC16106.6°99.4°
SC17C18116.9°109.4°
SC17H171105.3°109.4°
SC17H172107.1°109.5°
SC16CA115.5°109.4°
SC16H161106.1°109.5°
SC16H162107.5°109.5°
C18C17H171105.4°109.5°
C18C17H172107.1°109.5°
C17C18C20120.4°120.0°
C17C18C19120.6°120.0°
H171C17H172115.5°109.5°
C20C18C19119.0°120.0°
C18C20C21121.4°120.0°
C18C20H20119.3°120.0°
C18C19C23119.7°120.0°
C18C19H19120.2°120.0°
C21C20H20119.3°120.0°
C20C21C22119.7°120.0°
C20C21H21120.1°119.9°
C22C21H21120.2°120.1°
C21C22C23119.4°120.0°
C21C22H22120.3°119.9°
C23C22H22120.3°120.0°
C22C23C19120.8°120.0°
C22C23H23119.6°120.0°
C19C23H23119.6°120.0°
C23C19H19120.1°120.0°
CAC16H161106.1°109.5°
CAC16H162107.5°109.5°
C16CAN111.7°109.5°
C16CAC108.9°109.4°
C16CAHA108.5°109.5°
H161C16H162114.3°109.5°
NCAC109.8°109.4°
NCAHA107.6°109.5°
CANC11120.0°120.0°
CANHN120.0°120.0°
CCAHA110.4°109.4°
CACO120.5°120.0°
CACN2117.1°120.0°
C11NHN120.0°120.0°
NC11O3121.0°120.0°
NC11N3121.9°120.0°
O3C11N3117.1°120.0°
C11N3C15118.2°121.3°
C11N3C12123.9°121.3°
C15N3C12117.8°117.5°
N3C15C14109.6°108.1°
N3C15H151109.4°109.7°
N3C15H152109.4°109.7°
N3C12C13110.3°108.4°
N3C12H121109.0°109.9°
N3C12H122109.2°109.4°
C14C15H151109.4°109.8°
C14C15H152109.4°109.7°
C15C14O2106.5°109.6°
C15C14H141111.1°109.5°
C15C14H142110.5°109.5°
H151C15H152109.6°109.8°
O2C14H141111.1°109.4°
O2C14H142110.5°109.4°
C14O2C13110.0°107.7°
H141C14H142107.1°109.5°
O2C13C12107.3°109.7°
O2C13H131110.7°109.4°
O2C13H132110.2°109.4°
C12C13H131110.7°109.5°
C12C13H132110.2°109.3°
C13C12H121109.0°109.8°
C13C12H122109.2°109.7°
H131C13H132107.8°109.4°
H121C12H122110.1°109.7°
OCN2122.3°120.0°
CN2C9123.5°120.0°
CN2HN2118.2°120.0°
C9N2HN2118.2°120.0°
N2C9C10110.3°109.5°
N2C9C8109.9°109.5°
N2C9H9107.7°109.5°
C10C9C8106.4°109.5°
C10C9H9111.1°109.5°
C9C10H101109.5°109.5°
C9C10H102109.5°109.4°
C9C10H103109.5°109.5°
C8C9H9111.5°109.5°
C9C8N1113.5°109.5°
C9C8H81107.2°109.5°
C9C8H82108.2°109.5°
H101C10H102109.5°109.5°
H101C10H103109.4°109.5°
H102C10H103109.5°109.5°
N1C8H81107.3°109.5°
N1C8H82108.1°109.4°
C8N1C7112.7°120.0°
C8N1HN1108.4°120.0°
H81C8H82112.6°109.4°
C7N1HN1108.4°120.0°
N1C7C6118.8°120.0°
N1C7C4123.0°120.0°
C6C7C4118.1°120.0°
C7C6C5121.4°120.0°
C7C6H6119.3°120.0°
C7C4C3120.2°120.0°
C7C4H4119.9°120.0°
C5C6H6119.3°120.0°
C6C5C2121.5°120.0°
C6C5H5119.2°120.0°
C2C5H5119.3°120.0°
C5C2C3118.5°120.0°
C5C2O1118.4°120.0°
C3C4H4119.9°120.0°
C4C3C2120.2°120.0°
C4C3H3119.9°120.0°
C2C3H3119.9°120.0°
C3C2O1123.1°120.0°
C2O1C1123.3°106.8°
O1C1F1106.1°109.4°
O1C1F2111.3°109.5°
O1C1F3110.6°109.5°
F1C1F2113.3°109.5°
F1C1F3111.2°109.5°
F2C1F3104.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O5SO4C17120.9°126.2°
O5SO4C16119.8°126.2°
O5SC17C16113.6°113.9°
O5SC17C1860.0°66.1°
O5SC17H17156.5°53.9°
O5SC17H172180.0°173.9°
O5SC16CA160.5°66.1°
O5SC16H16182.3°53.9°
O5SC16H16240.5°173.9°
O4SC17C16123.7°114.0°
O4SC17C1862.7°66.1°
O4SC17H171179.2°173.9°
O4SC17H17257.3°53.9°
O4SC16CA37.3°66.1°
O4SC16H161154.6°173.9°
O4SC16H16282.7°53.9°
SC17C18H171116.5°120.0°
SC17C18H172120.0°120.0°
SC17H171H172117.9°120.0°
SC17C18C2095.1°90.3°
SC17C18C1984.3°90.1°
C17SC16CA83.9°180.0°
C17SC16H16133.4°60.0°
C17SC16H162156.1°60.0°
C16SC17C18173.6°180.0°
C16SC17H17157.1°60.0°
C16SC17H17266.4°60.0°
SC16CAH161117.3°120.0°
SC16CAH162120.0°120.0°
SC16H161H162118.3°120.0°
SC16CAN76.2°60.1°
SC16CAC162.4°180.0°
SC16CAHA42.1°60.0°
C18C17H171H172117.9°120.0°
C17C18C20C19179.5°179.6°
C17C18C20C21179.5°179.9°
C17C18C20H200.5°0.3°
C17C18C19C23179.9°180.0°
C17C18C19H190.1°0.1°
H171C17C18C20148.4°149.7°
H171C17C18C1932.2°29.9°
H172C17C18C2024.9°29.7°
H172C17C18C19155.7°149.9°
C18C20C21H20180.0°179.6°
C18C20C21C220.5°0.4°
C18C20C21H21179.5°179.7°
C20C18C19C230.4°0.4°
C20C18C19H19179.5°179.7°
C19C18C20C210.0°0.5°
C19C18C20H20180.0°179.9°
C18C19C23C220.3°0.1°
C18C19C23H19180.0°179.9°
C18C19C23H23179.7°179.9°
C20C21C22H21180.0°179.9°
C20C21C22C230.7°0.2°
C20C21C22H22179.3°179.8°
H20C20C21C22179.5°180.0°
H20C20C21H210.5°0.1°
C21C22C23H22180.0°180.0°
C21C22C23C190.3°0.0°
C21C22C23H23179.8°180.0°
H21C21C22C23179.4°179.9°
H21C21C22H220.6°0.1°
C22C23C19H23180.0°180.0°
C22C23C19H19179.7°180.0°
H22C22C23C19179.8°180.0°
H22C22C23H230.2°0.0°
H23C23C19H190.3°0.0°
CAC16H161H162118.3°120.0°
C16CANC120.9°120.0°
C16CANHA118.9°120.1°
C16CACHA119.0°120.0°
C16CANC11169.6°59.9°
C16CANHN10.4°120.0°
C16CACO67.9°100.0°
C16CACN2115.8°80.0°
H161C16CAN41.0°59.9°
H161C16CAC80.4°60.1°
H161C16CAHA159.4°180.0°
H162C16CAN163.7°180.0°
H162C16CAC42.3°60.0°
H162C16CAHA77.9°59.9°
NCACHA118.4°120.0°
CANC11HN180.0°179.9°
CANC11O33.0°5.2°
CANC11N3177.7°174.8°
NCACO54.6°20.0°
NCACN2121.7°160.0°
CCANC1169.5°60.1°
CCANHN110.5°120.0°
CACON2176.1°179.9°
CACN2C9179.0°180.0°
CACN2HN21.0°0.1°
HACANC1150.7°180.0°
HACANHN129.3°0.1°
HACACO173.1°140.0°
HACACN23.2°40.0°
NC11O3N3179.4°180.0°
NC11N3C15178.8°6.1°
NC11N3C122.7°174.3°
HNNC11O3177.0°174.8°
HNNC11N32.3°5.3°
O3C11N3C150.5°173.9°
O3C11N3C12176.7°5.8°
C11N3C15C12176.4°179.7°
C11N3C15C14140.7°132.9°
C11N3C15H15120.7°107.4°
C11N3C15H15299.3°13.2°
C11N3C12C13141.7°133.0°
C11N3C12H12198.7°13.0°
C11N3C12H12221.7°107.4°
N3C15C14H151119.9°119.6°
N3C15C14H152120.0°119.7°
N3C15H151H152119.9°120.6°
N3C15C14O253.9°55.9°
N3C15C14H14167.3°175.8°
N3C15C14H142173.9°64.2°
C15N3C12C1342.2°46.7°
C15N3C12H12177.4°166.6°
C15N3C12H122162.2°72.9°
C12N3C15C1442.9°46.8°
C12N3C15H151162.9°72.9°
C12N3C15H15277.1°166.5°
N3C12C13O253.2°55.6°
N3C12C13H121119.6°120.0°
N3C12C13H122120.0°119.4°
N3C12C13H13167.6°175.7°
N3C12C13H132173.2°64.5°
N3C12H121H122119.8°120.3°
C14C15H151H152120.0°120.7°
C15C14O2H141121.2°120.1°
C15C14O2H142120.0°120.0°
C15C14H141H142120.8°120.0°
C15C14O2C1372.0°68.8°
H151C15C14O2173.8°63.8°
H151C15C14H14152.7°56.2°
H151C15C14H14266.1°176.2°
H152C15C14O266.1°175.5°
H152C15C14H141172.8°64.5°
H152C15C14H14253.9°55.5°
O2C14H141H142120.8°119.9°
C14O2C13C1271.4°68.6°
C14O2C13H13149.5°171.2°
C14O2C13H132168.6°51.3°
H141C14O2C1349.2°171.2°
H142C14O2C13168.0°51.3°
O2C13C12H131120.8°120.1°
O2C13C12H132120.0°120.0°
O2C13H131H132120.6°119.9°
O2C13C12H12166.4°175.6°
O2C13C12H122173.2°63.9°
C12C13H131H132120.6°119.8°
C13C12H121H122119.8°120.6°
H131C13C12H121172.7°64.3°
H131C13C12H12252.4°56.3°
H132C13C12H12153.6°55.6°
H132C13C12H12266.8°176.1°
OCN2C92.7°0.1°
OCN2HN2177.3°180.0°
CN2C9HN2180.0°179.9°
CN2C9C1077.9°85.0°
CN2C9C8165.1°155.0°
CN2C9H943.5°35.0°
N2C9C10C8119.2°120.0°
N2C9C10H9119.3°120.0°
N2C9C8H9119.3°120.0°
N2C9C10H1017.4°60.0°
N2C9C10H102127.4°180.0°
N2C9C10H103112.6°60.0°
N2C9C8N151.5°55.0°
N2C9C8H8166.8°175.0°
N2C9C8H82171.4°65.0°
HN2N2C9C10102.1°94.9°
HN2N2C9C814.9°25.1°
HN2N2C9H9136.5°145.1°
C10C9C8H9121.3°120.0°
C9C10H101H102120.0°119.9°
C9C10H101H103120.0°120.0°
C9C10H102H103120.1°120.0°
C10C9C8N1170.9°175.0°
C10C9C8H8152.6°65.0°
C10C9C8H8269.1°55.0°
C8C9C10H101126.6°60.0°
C8C9C10H102113.4°60.0°
C8C9C10H1036.6°180.0°
C9C8N1H81118.3°120.1°
C9C8N1H82120.0°120.0°
C9C8H81H82118.9°120.0°
C9C8N1C7177.2°180.0°
C9C8N1HN157.2°0.1°
H9C9C10H101111.9°179.9°
H9C9C10H1028.1°60.0°
H9C9C10H103128.1°60.0°
H9C9C8N167.8°65.1°
H9C9C8H81173.9°55.0°
H9C9C8H8252.2°175.0°
H101C10H102H103120.0°120.1°
N1C8H81H82118.9°119.9°
C8N1C7HN1120.0°180.0°
C8N1C7C6118.2°180.0°
C8N1C7C458.6°0.3°
H81C8N1C759.0°59.9°
H81C8N1HN161.1°120.0°
H82C8N1C762.8°60.0°
H82C8N1HN1177.2°120.0°
N1C7C6C4177.0°179.7°
N1C7C6C5179.8°180.0°
N1C7C6H60.2°0.0°
N1C7C4C3179.6°179.7°
N1C7C4H40.4°0.3°
HN1N1C7C61.8°0.0°
HN1N1C7C4178.6°179.7°
C7C6C5H6180.0°180.0°
C7C6C5C21.9°0.0°
C7C6C5H5178.1°179.9°
C6C7C4C32.7°0.6°
C6C7C4H4177.3°180.0°
C4C7C6C52.8°0.3°
C4C7C6H6177.2°179.7°
C7C4C3H4180.0°179.4°
C7C4C3C21.8°0.5°
C7C4C3H3178.2°179.6°
C6C5C2H5180.0°179.9°
C6C5C2C30.9°0.1°
C6C5C2O1178.4°180.0°
H6C6C5C2178.1°180.0°
H6C6C5H51.9°0.0°
C5C2C3C40.9°0.2°
C5C2C3O1179.3°179.9°
C5C2C3H3179.1°180.0°
C5C2O1C1150.6°180.0°
H5C5C2C3179.1°180.0°
H5C5C2O11.6°0.1°
C4C3C2H3180.0°179.8°
C4C3C2O1178.4°179.7°
H4C4C3C2178.2°180.0°
H4C4C3H31.8°0.2°
C3C2O1C130.1°0.1°
H3C3C2O11.6°0.1°
C2O1C1F169.6°60.0°
C2O1C1F2166.7°180.0°
C2O1C1F351.1°60.0°
O1C1F1F2122.4°120.0°
O1C1F1F3120.3°120.0°
O1C1F2F3119.4°120.0°
F1C1F2F3121.2°120.1°

221051

PDB entries from 2024-06-12

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