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INN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C4sing1.35Å1.61Å
N1C5sing1.46Å1.42Å
N1HN1sing0.97Å1.00Å
C2C1sing1.53Å1.56Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C2H23sing1.09Å1.10Å
O2C10doub1.21Å1.23Å
N3C13sing1.35Å1.37Å
N3C14sing1.46Å1.45Å
N3HN3sing0.97Å1.00Å
C4CAsing1.51Å1.53Å
C4O1doub1.21Å1.22Å
O4Nsing1.42Å1.34Å
O4HO4sing0.97Å0.95Å
C5C6sing1.53Å1.58Å
C5C10sing1.51Å1.51Å
C5H5sing1.09Å1.10Å
C6C8sing1.53Å1.54Å
C6C9sing1.53Å1.56Å
C6C7sing1.53Å1.57Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C8H83sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9H93sing1.09Å1.10Å
C10N2sing1.35Å1.15Å
C11C12sing1.53Å1.53Å
C11N2sing1.47Å1.49Å
C11C13sing1.51Å1.30Å
C11H11sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H123sing1.09Å1.10Å
NCsing1.35Å1.32Å
NHNsing0.97Å1.00Å
COdoub1.21Å1.21Å
CC0sing1.51Å1.49Å
C0CAsing1.53Å1.44Å
C0H01sing1.09Å1.10Å
C0H02sing1.09Å1.10Å
CACBsing1.53Å1.56Å
CAHAsing1.09Å1.10Å
CBC1sing1.53Å1.57Å
CBHB1sing1.09Å1.10Å
CBHB2sing1.09Å1.10Å
C1C3sing1.53Å1.56Å
C1H1sing1.09Å1.10Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C3H33sing1.09Å1.10Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C7H73sing1.09Å1.10Å
N2HN2sing0.97Å1.00Å
C13O3doub1.21Å1.22Å
C14C15sing1.53Å1.56Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C15N4sing1.47Å1.49Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
N4HN41sing1.01Å1.00Å
N4HN42sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4N1C5108.3°120.0°
C4N1HN1125.9°120.0°
N1C4CA114.1°120.0°
N1C4O1122.6°120.0°
C5N1HN1125.8°120.0°
N1C5C6108.3°109.5°
N1C5C10104.3°109.4°
N1C5H5113.5°109.5°
C1C2H21109.5°109.5°
C1C2H22109.5°109.4°
C1C2H23109.4°109.4°
C2C1CB106.6°109.5°
C2C1C3108.7°109.5°
C2C1H1110.5°109.5°
H21C2H22109.5°109.5°
H21C2H23109.4°109.5°
H22C2H23109.5°109.5°
O2C10C5118.5°120.0°
O2C10N2124.8°120.0°
C13N3C14121.4°120.0°
C13N3HN3119.3°120.0°
N3C13C11134.6°120.0°
N3C13O3120.4°120.0°
C14N3HN3119.4°120.0°
N3C14C15109.8°109.5°
N3C14H141109.4°109.5°
N3C14H142109.4°109.5°
CAC4O1122.8°120.0°
C4CAC0101.5°109.4°
C4CACB102.2°109.5°
C4CAHA123.2°109.4°
NO4HO4109.5°113.9°
O4NC131.4°120.0°
O4NHN114.3°120.0°
C6C5C10109.4°109.5°
C6C5H5108.8°109.5°
C5C6C8106.7°109.5°
C5C6C9111.2°109.5°
C5C6C7109.8°109.5°
C10C5H5112.4°109.5°
C5C10N2115.6°120.0°
C8C6C9110.9°109.5°
C8C6C7108.4°109.4°
C6C8H81109.5°109.4°
C6C8H82109.5°109.5°
C6C8H83109.5°109.4°
C9C6C7109.8°109.5°
C6C9H91109.5°109.5°
C6C9H92109.5°109.5°
C6C9H93109.5°109.5°
C6C7H71109.5°109.5°
C6C7H72109.5°109.5°
C6C7H73109.5°109.5°
H81C8H82109.4°109.6°
H81C8H83109.4°109.4°
H82C8H83109.5°109.5°
H91C9H92109.5°109.4°
H91C9H93109.5°109.5°
H92C9H93109.5°109.5°
C10N2C11120.3°119.9°
C10N2HN2119.8°120.0°
C12C11N2115.8°109.5°
C12C11C13116.4°109.5°
C12C11H11139.3°109.5°
C11C12H121109.5°109.5°
C11C12H122109.5°109.5°
C11C12H123109.5°109.5°
N2C11C13127.4°109.4°
N2C11H1174.5°109.5°
C11N2HN2119.8°120.0°
C13C11H1170.5°109.5°
C11C13O392.0°120.0°
H121C12H122109.4°109.4°
H121C12H123109.5°109.5°
H122C12H123109.5°109.5°
CNHN114.3°120.0°
NCO120.7°120.0°
NCC0118.8°120.0°
OCC0119.3°120.0°
CC0CA98.4°109.4°
CC0H01113.3°109.4°
CC0H02113.4°109.5°
CAC0H01113.4°109.5°
CAC0H02113.4°109.5°
C0CACB120.7°109.5°
C0CAHA105.6°109.4°
H01C0H02105.3°109.5°
CBCAHA104.9°109.5°
CACBC1112.3°109.4°
CACBHB1108.5°109.4°
CACBHB2108.5°109.5°
C1CBHB1108.5°109.5°
C1CBHB2108.5°109.5°
CBC1C3104.9°109.4°
CBC1H1113.8°109.5°
HB1CBHB2110.4°109.5°
C3C1H1112.0°109.5°
C1C3H31109.5°109.4°
C1C3H32109.5°109.5°
C1C3H33109.4°109.5°
H31C3H32109.5°109.5°
H31C3H33109.5°109.5°
H32C3H33109.5°109.5°
H71C7H72109.4°109.4°
H71C7H73109.4°109.4°
H72C7H73109.5°109.5°
C15C14H141109.4°109.5°
C15C14H142109.4°109.4°
C14C15N4106.9°109.5°
C14C15H151110.3°109.5°
C14C15H152110.3°109.5°
H141C14H142109.6°109.4°
N4C15H151110.3°109.4°
N4C15H152110.3°109.5°
C15N4HN41109.5°111.0°
C15N4HN42109.5°111.0°
H151C15H152108.6°109.5°
HN41N4HN42109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4N1C5HN1180.0°179.7°
N1C4CAO1171.6°179.9°
C4N1C5C6118.4°100.1°
C4N1C5C10125.1°139.9°
C4N1C5H52.5°19.9°
N1C4CAC0115.8°170.6°
N1C4CACB118.9°69.4°
N1C4CAHA1.7°50.7°
N1C5C10O228.9°28.9°
C5N1C4CA166.2°175.0°
C5N1C4O15.4°4.9°
N1C5C6C10113.2°120.0°
N1C5C6H5123.7°120.1°
N1C5C10H5123.4°120.0°
N1C5C6C853.3°63.8°
N1C5C6C9174.3°176.1°
N1C5C6C763.9°56.1°
N1C5C10N2139.9°151.2°
HN1N1C4CA13.8°5.3°
HN1N1C4O1174.6°174.8°
HN1N1C5C661.6°79.5°
HN1N1C5C1054.9°40.4°
HN1N1C5H5177.5°160.4°
C1C2H21H22120.0°120.0°
C1C2H21H23120.0°120.0°
C1C2H22H23120.0°120.0°
C2C1CBCA65.1°67.6°
C2C1CBC3115.2°119.9°
C2C1CBH1122.0°120.1°
C2C1CBHB154.9°172.4°
C2C1CBHB2174.9°52.4°
C2C1C3H1122.3°120.1°
C2C1C3H31180.0°60.0°
C2C1C3H3260.0°180.0°
C2C1C3H3360.0°59.9°
H21C2H22H23120.0°120.0°
H21C2C1CB180.0°62.3°
H21C2C1C367.3°57.7°
H21C2C1H155.9°177.7°
H22C2C1CB60.0°57.7°
H22C2C1C3172.6°177.6°
H22C2C1H164.2°62.3°
H23C2C1CB60.0°177.8°
H23C2C1C352.6°62.3°
H23C2C1H1175.8°57.7°
O2C10C5C686.7°91.1°
O2C10C5N2168.8°179.9°
O2C10C5H5152.3°148.9°
O2C10N2C1131.1°4.9°
O2C10N2HN2148.9°175.1°
C13N3C14HN3180.0°180.0°
N3C13C11C1250.1°60.1°
N3C13C11N2137.4°180.0°
N3C13C11O3138.3°179.9°
N3C13C11H1186.2°60.0°
C13N3C14C15133.9°180.0°
C13N3C14H14113.9°60.0°
C13N3C14H142106.1°60.0°
C14N3C13C11149.0°180.0°
C14N3C13O319.5°0.1°
N3C14C15H141120.0°120.1°
N3C14C15H142120.0°120.0°
N3C14H141H142119.9°120.0°
N3C14C15N4128.4°180.0°
N3C14C15H151111.5°60.0°
N3C14C15H1528.4°60.0°
HN3N3C13C1131.0°0.1°
HN3N3C13O3160.5°180.0°
HN3N3C14C1546.0°0.0°
HN3N3C14H141166.1°120.0°
HN3N3C14H14274.0°120.0°
C4CAC0C179.5°153.9°
C4CAC0CB111.9°120.1°
C4CAC0HA129.6°119.9°
C4CAC0H0159.5°86.2°
C4CAC0H0260.5°33.8°
C4CACBHA129.7°120.0°
C4CACBC162.1°172.6°
C4CACBHB1177.8°67.4°
C4CACBHB257.9°52.5°
O1C4CAC055.8°9.5°
O1C4CACB69.5°110.5°
O1C4CAHA173.3°129.4°
O4NCHN180.0°180.0°
O4NCO23.6°0.0°
O4NCC0169.4°180.0°
HO4O4NC11.4°180.0°
HO4O4NHN168.7°0.0°
C6C5C10H5120.9°120.0°
C5C6C8C9121.2°120.0°
C5C6C8C7118.2°120.0°
C5C6C9C7121.8°120.0°
C5C6C8H81180.0°60.0°
C5C6C8H8260.0°179.9°
C5C6C8H8360.0°59.9°
C5C6C9H91180.0°59.5°
C5C6C9H9260.0°179.5°
C5C6C9H9360.0°60.5°
C6C5C10N2104.4°88.8°
C5C6C7H71180.0°60.0°
C5C6C7H7260.0°180.0°
C5C6C7H7360.0°60.0°
C10C5C6C859.9°56.1°
C10C5C6C961.1°63.9°
C10C5C6C7177.1°176.1°
C5C10N2C11160.9°175.2°
C5C10N2HN219.1°4.8°
H5C5C6C8177.0°176.1°
H5C5C6C962.0°56.1°
H5C5C6C759.8°63.9°
H5C5C10N216.5°31.2°
C8C6C9C7119.7°120.0°
C6C8H81H82120.0°120.0°
C6C8H81H83120.0°119.9°
C6C8H82H83120.0°120.0°
C8C6C9H9161.5°179.6°
C8C6C9H9258.5°60.5°
C8C6C9H93178.5°59.5°
C8C6C7H7163.8°60.0°
C8C6C7H72176.2°60.0°
C8C6C7H7356.2°180.0°
C9C6C8H8158.8°60.1°
C9C6C8H82178.7°60.0°
C9C6C8H8361.2°180.0°
C6C9H91H92120.0°120.0°
C6C9H91H93120.0°120.0°
C6C9H92H93120.0°120.0°
C9C6C7H7157.4°180.0°
C9C6C7H7262.6°60.0°
C9C6C7H73177.4°60.0°
C7C6C8H8161.8°179.9°
C7C6C8H8258.2°59.9°
C7C6C8H83178.2°60.0°
C7C6C9H9158.2°60.5°
C7C6C9H92178.2°59.5°
C7C6C9H9361.8°179.5°
C6C7H71H72120.0°120.1°
C6C7H71H73120.0°120.0°
C6C7H72H73120.0°120.0°
H81C8H82H83120.0°120.0°
H91C9H92H93120.0°120.0°
C10N2C11C12172.1°85.0°
C10N2C11HN2180.0°180.0°
C10N2C11C1315.3°155.1°
C10N2C11H1134.3°35.1°
C12C11N2C13172.6°119.9°
C12C11N2H11137.8°120.1°
C12C11C13H11136.3°120.1°
C11C12H121H122120.0°120.0°
C11C12H121H123120.0°120.0°
C11C12H122H123120.0°120.0°
C12C11N2HN27.9°95.0°
C12C11C13O388.2°120.0°
N2C11C13H1151.2°120.0°
N2C11C12H121180.0°60.0°
N2C11C12H12260.0°179.9°
N2C11C12H12360.0°60.0°
N2C11C13O384.4°0.1°
C13C11C12H1216.6°59.9°
C13C11C12H122126.6°60.0°
C13C11C12H123113.4°180.0°
C13C11N2HN2164.7°24.9°
H11C11C12H12183.9°180.0°
H11C11C12H12236.1°60.0°
H11C11C12H123156.1°60.0°
H11C11N2HN2145.7°144.9°
H11C11C13O3135.5°119.9°
H121C12H122H123120.0°120.0°
NCOC0166.9°180.0°
NCC0CA90.3°171.2°
NCC0H0129.7°51.3°
NCC0H02149.7°68.7°
HNNCO156.4°180.0°
HNNCC010.6°0.0°
OCC0CA76.9°8.8°
OCC0H01163.1°128.7°
OCC0H0243.1°111.3°
CC0CAH01120.0°119.9°
CC0CAH02120.0°120.0°
CC0H01H02124.5°120.0°
CC0CACB67.6°86.1°
CC0CAHA50.9°33.9°
CAC0H01H02124.5°120.0°
C0CACBHA118.9°120.0°
C0CACBC1173.6°67.4°
C0CACBHB166.4°52.6°
C0CACBHB253.6°172.5°
H01C0CACB52.3°33.9°
H01C0CAHA170.9°153.9°
H02C0CACB172.3°153.9°
H02C0CAHA69.1°86.1°
CACBC1HB1120.0°120.0°
CACBC1HB2120.0°120.0°
CACBHB1HB2118.8°120.0°
CACBC1C3179.8°172.4°
CACBC1H157.0°52.4°
HACACBC167.5°52.5°
HACACBHB152.5°172.6°
HACACBHB2172.5°67.5°
C1CBHB1HB2118.8°120.1°
CBC1C3H1124.0°120.0°
CBC1C3H3166.3°180.0°
CBC1C3H32173.7°60.0°
CBC1C3H3353.7°60.0°
HB1CBC1C360.2°52.5°
HB1CBC1H1177.0°67.5°
HB2CBC1C359.7°67.6°
HB2CBC1H163.1°172.4°
C1C3H31H32120.0°120.0°
C1C3H31H33120.0°120.0°
C1C3H32H33120.0°120.0°
H1C1C3H3157.7°60.0°
H1C1C3H3262.3°60.0°
H1C1C3H33177.7°180.0°
H31C3H32H33120.0°120.0°
H71C7H72H73120.0°119.9°
C15C14H141H142119.9°119.9°
C14C15N4H151120.0°120.0°
C14C15N4H152120.0°120.0°
C14C15H151H152121.0°120.0°
C14C15N4HN41180.0°180.0°
C14C15N4HN4260.0°56.1°
H141C14C15N48.4°60.0°
H141C14C15H151128.4°179.9°
H141C14C15H152111.6°60.0°
H142C14C15N4111.6°60.0°
H142C14C15H1518.5°60.0°
H142C14C15H152128.4°180.0°
N4C15H151H152121.0°120.0°
C15N4HN41HN42120.0°123.9°
H151C15N4HN4160.0°60.0°
H151C15N4HN42180.0°176.0°
H152C15N4HN4160.0°60.0°
H152C15N4HN4260.0°63.9°

222036

PDB entries from 2024-07-03

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