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NPP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1O1sing1.46Å1.25Å
N1C2sing1.44Å1.53Å
N1C6sing1.44Å1.53Å
C2CM1sing1.53Å1.53Å
C2CM2sing1.55Å1.53Å
C2C3sing1.53Å1.51Å
CM1HM11sing1.09Å1.12Å
CM1HM12sing1.09Å1.11Å
CM1HM13sing1.09Å1.11Å
CM2HM21sing1.09Å1.12Å
CM2HM22sing1.09Å1.11Å
CM2HM23sing1.09Å1.12Å
C3C4sing1.53Å1.50Å
C3H31sing1.09Å1.11Å
C3H32sing1.09Å1.12Å
C4C5sing1.53Å1.49Å
C4N2sing1.47Å1.49Å
C4H4sing1.09Å1.11Å
C5C6sing1.53Å1.51Å
C5H51sing1.09Å1.12Å
C5H52sing1.09Å1.11Å
C6CM3sing1.55Å1.52Å
C6CM4sing1.53Å1.52Å
CM3HM31sing1.09Å1.11Å
CM3HM32sing1.09Å1.12Å
CM3HM33sing1.09Å1.11Å
CM4HM41sing1.09Å1.11Å
CM4HM42sing1.09Å1.11Å
CM4HM43sing1.09Å1.12Å
N2C7sing1.40Å1.49Å
N2HN2sing0.97Å1.02Å
C7C8doub1.39Å1.38ÅAromatic
C7C12sing1.39Å1.37ÅAromatic
C8N3sing1.48Å1.49Å
C8C9sing1.38Å1.34ÅAromatic
N3O2sing1.22Å1.23Å
N3O3doub1.22Å1.21Å
C9C10doub1.38Å1.34ÅAromatic
C9H9sing1.08Å1.10Å
C10N4sing1.48Å1.48Å
C10C11sing1.39Å1.38ÅAromatic
N4O4sing1.22Å1.24Å
N4O5doub1.22Å1.23Å
C11C12doub1.39Å1.37ÅAromatic
C11N5sing1.40Å1.49Å
C12H12sing1.08Å1.10Å
N5C13sing1.47Å1.51Å
N5HN5sing0.97Å1.02Å
C13C14sing1.53Å1.55Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.11Å
C14N6sing1.47Å1.46Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
N6HN61sing1.01Å1.02Å
N6HN62sing1.01Å1.02Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1N1C2118.5°108.0°
O1N1C6118.1°108.0°
C2N1C6123.5°118.0°
N1C2CM1110.9°111.6°
N1C2CM2109.7°107.8°
N1C2C3111.5°113.9°
N1C6C5112.8°113.9°
N1C6CM3110.7°107.8°
N1C6CM4108.8°111.6°
CM1C2CM2107.8°106.7°
CM1C2C3110.2°109.5°
C2CM1HM11110.8°109.5°
C2CM1HM12111.7°109.5°
C2CM1HM13111.7°109.4°
CM2C2C3106.6°107.0°
C2CM2HM21109.7°109.5°
C2CM2HM22112.2°109.5°
C2CM2HM23112.2°109.5°
C2C3C4111.0°110.3°
C2C3H31111.7°109.5°
C2C3H32111.7°109.5°
HM11CM1HM12111.7°109.5°
HM11CM1HM13111.7°109.5°
HM12CM1HM1398.7°109.5°
HM21CM2HM22112.1°109.5°
HM21CM2HM23112.1°109.4°
HM22CM2HM2398.3°109.5°
C4C3H31111.7°109.4°
C4C3H32111.6°109.4°
C3C4C5106.1°108.0°
C3C4N2110.9°109.3°
C3C4H4111.2°110.6°
H31C3H3298.7°108.8°
C5C4N2110.8°109.3°
C5C4H4111.4°110.5°
C4C5C6110.6°110.3°
C4C5H51111.8°109.3°
C4C5H52111.7°109.4°
N2C4H4106.5°109.1°
C4N2C7121.3°120.1°
C4N2HN2108.0°120.0°
C6C5H51111.8°109.5°
C6C5H52111.8°109.5°
C5C6CM3103.7°107.0°
C5C6CM4110.9°109.4°
H51C5H5298.6°108.8°
CM3C6CM4110.0°106.7°
C6CM3HM31110.7°109.5°
C6CM3HM32111.7°109.5°
C6CM3HM33111.8°109.5°
C6CM4HM41108.7°109.5°
C6CM4HM42112.4°109.5°
C6CM4HM43112.4°109.5°
HM31CM3HM32111.7°109.5°
HM31CM3HM33111.8°109.4°
HM32CM3HM3398.6°109.5°
HM41CM4HM42112.6°109.5°
HM41CM4HM43112.5°109.5°
HM42CM4HM4398.0°109.4°
C7N2HN2108.0°120.0°
N2C7C8119.8°120.1°
N2C7C12120.4°120.0°
C8C7C12119.8°119.9°
C7C8N3124.7°119.9°
C7C8C9120.1°120.0°
C7C12C11119.5°119.8°
C7C12H12120.3°120.1°
N3C8C9115.1°120.0°
C8N3O2120.0°120.0°
C8N3O3120.4°120.0°
C8C9C10120.8°120.2°
C8C9H9119.5°119.9°
O2N3O3119.6°120.0°
C10C9H9119.7°119.9°
C9C10N4113.4°120.0°
C9C10C11120.5°120.0°
N4C10C11126.0°120.0°
C10N4O4119.0°120.0°
C10N4O5120.7°120.0°
C10C11C12119.1°120.0°
C10C11N5121.7°120.0°
O4N4O5120.3°120.0°
C12C11N5119.1°120.1°
C11C12H12120.1°120.1°
C11N5C13122.0°120.0°
C11N5HN5107.7°120.0°
C13N5HN5107.7°120.0°
N5C13C14110.2°109.5°
N5C13H131111.9°109.5°
N5C13H132111.9°109.5°
C14C13H131112.0°109.5°
C14C13H132111.9°109.5°
C13C14N6113.7°109.4°
C13C14H141110.6°109.4°
C13C14H142110.6°109.4°
H131C13H13298.5°109.5°
N6C14H141110.7°109.5°
N6C14H142110.7°109.5°
C14N6HN61113.7°106.7°
C14N6HN62110.6°106.7°
H141C14H14299.6°109.5°
HN61N6HN62110.7°106.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1N1C2C6179.7°122.8°
O1N1C2CM165.5°40.7°
O1N1C2CM253.5°76.1°
O1N1C2C3171.3°165.3°
O1N1C6C5170.4°165.2°
O1N1C6CM354.8°76.2°
O1N1C6CM466.2°40.7°
N1C2CM1CM2120.1°117.5°
N1C2CM1C3123.9°127.0°
N1C2CM2C3120.8°122.9°
N1C2CM1HM11180.0°57.5°
N1C2CM1HM1254.7°62.4°
N1C2CM1HM1354.8°177.5°
N1C2CM2HM21180.0°180.0°
N1C2CM2HM2254.8°60.0°
N1C2CM2HM2354.7°60.0°
N1C2C3C431.1°50.8°
N1C2C3H3194.1°69.7°
N1C2C3H32156.4°171.2°
C2N1C6C59.9°42.5°
C2N1C6CM3125.5°161.1°
C2N1C6CM4113.5°82.0°
C6N1C2CM1114.3°82.0°
C6N1C2CM2126.7°161.1°
C6N1C2C38.9°42.5°
N1C6C5C429.6°50.7°
N1C6C5CM3119.8°119.1°
N1C6C5CM4122.3°125.7°
N1C6C5H5195.6°69.6°
N1C6C5H52154.8°171.1°
N1C6CM3CM4120.2°120.0°
N1C6CM3HM31180.0°177.1°
N1C6CM3HM3254.7°57.1°
N1C6CM3HM3354.7°62.9°
N1C6CM4HM41180.0°67.0°
N1C6CM4HM4254.7°53.0°
N1C6CM4HM4354.8°173.0°
CM1C2CM2C3118.3°117.1°
C2CM1HM11HM12125.3°120.0°
C2CM1HM11HM13125.2°120.0°
C2CM1HM12HM13117.6°120.0°
CM1C2CM2HM2159.2°60.0°
CM1C2CM2HM2266.1°180.0°
CM1C2CM2HM23175.6°60.0°
CM1C2C3C4154.7°74.9°
CM1C2C3H3129.4°164.7°
CM1C2C3H3280.0°45.5°
CM2C2CM1HM1159.9°60.0°
CM2C2CM1HM12174.9°180.0°
CM2C2CM1HM1365.4°60.0°
C2CM2HM21HM22125.3°120.1°
C2CM2HM21HM23125.3°120.0°
C2CM2HM22HM23118.1°120.0°
CM2C2C3C488.5°169.8°
CM2C2C3H31146.2°49.4°
CM2C2C3H3236.7°69.8°
C3C2CM1HM1156.1°175.5°
C3C2CM1HM1269.2°64.5°
C3C2CM1HM13178.7°55.5°
C3C2CM2HM2159.2°57.1°
C3C2CM2HM22175.6°62.9°
C3C2CM2HM2366.1°177.1°
C2C3C4H31125.3°120.4°
C2C3C4H32125.3°120.4°
C2C3H31H32117.6°119.6°
C2C3C4C571.7°59.4°
C2C3C4N2167.9°178.2°
C2C3C4H449.6°61.7°
HM11CM1HM12HM13117.6°120.1°
HM21CM2HM22HM23118.0°120.0°
C4C3H31H32117.5°119.5°
C3C4C5N2120.5°118.8°
C3C4C5H4121.1°121.1°
C3C4N2H4121.1°121.0°
C3C4C5C670.3°59.4°
C3C4C5H5154.9°61.1°
C3C4C5H52164.4°179.8°
C3C4N2C7142.6°155.0°
C3C4N2HN217.3°25.0°
H31C3C4C553.6°61.0°
H31C3C4N266.8°57.8°
H31C3C4H4174.9°177.9°
H32C3C4C5163.1°179.8°
H32C3C4N242.7°61.3°
H32C3C4H475.7°58.8°
C5C4N2H4121.3°120.9°
C4C5C6H51125.2°120.3°
C4C5C6H52125.2°120.4°
C4C5H51H52117.7°119.4°
C4C5C6CM390.2°169.8°
C4C5C6CM4151.9°75.0°
C5C4N2C799.9°87.0°
C5C4N2HN2134.9°93.0°
N2C4C5C6169.2°178.2°
N2C4C5H5165.6°57.7°
N2C4C5H5243.9°61.3°
C4N2C7HN2125.3°180.0°
C4N2C7C8178.9°174.2°
C4N2C7C122.4°5.6°
H4C4C5C650.8°61.8°
H4C4C5H51176.0°177.8°
H4C4C5H5274.5°58.7°
H4C4N2C721.4°34.0°
H4C4N2HN2103.8°146.0°
C6C5H51H52117.7°119.7°
C5C6CM3CM4118.6°117.1°
C5C6CM3HM3158.8°59.9°
C5C6CM3HM3266.5°180.0°
C5C6CM3HM33175.9°60.0°
C5C6CM4HM4155.4°60.0°
C5C6CM4HM42179.3°179.9°
C5C6CM4HM4369.8°60.0°
H51C5C6CM3144.6°49.4°
H51C5C6CM426.6°164.7°
H52C5C6CM335.1°69.8°
H52C5C6CM482.9°45.4°
C6CM3HM31HM32125.2°120.1°
C6CM3HM31HM33125.3°120.0°
C6CM3HM32HM33117.6°120.0°
CM3C6CM4HM4158.6°175.5°
CM3C6CM4HM4266.7°64.5°
CM3C6CM4HM43176.1°55.4°
CM4C6CM3HM3159.8°57.1°
CM4C6CM3HM32174.9°62.9°
CM4C6CM3HM3365.5°177.1°
C6CM4HM41HM42125.3°120.0°
C6CM4HM41HM43125.2°120.1°
C6CM4HM42HM43118.3°120.0°
HM31CM3HM32HM33117.7°119.9°
HM41CM4HM42HM43118.4°120.0°
N2C7C8C12178.7°179.7°
N2C7C8N34.3°0.3°
N2C7C8C9178.9°179.8°
N2C7C12C11178.9°180.0°
N2C7C12H121.1°0.0°
HN2N2C7C853.6°5.9°
HN2N2C7C12127.6°174.4°
C7C8N3C9177.0°179.5°
C7C8N3O2175.6°37.9°
C7C8N3O31.9°142.1°
C7C8C9C100.3°0.5°
C7C8C9H9179.7°179.8°
C8C7C12C110.2°0.3°
C8C7C12H12179.8°179.8°
C12C7C8N3176.9°180.0°
C12C7C8C90.1°0.5°
C7C12C11C100.1°0.0°
C7C12C11H12180.0°180.0°
C7C12C11N5177.8°180.0°
C8N3O2O3177.5°179.9°
N3C8C9C10176.8°180.0°
N3C8C9H93.2°0.3°
C9C8N3O27.5°142.6°
C9C8N3O3175.1°37.4°
C8C9C10H9179.9°179.7°
C8C9C10N4176.0°179.7°
C8C9C10C110.7°0.3°
C9C10N4C11176.5°180.0°
C9C10N4O42.9°37.5°
C9C10N4O5176.8°142.6°
C9C10C11C120.6°0.0°
C9C10C11N5177.3°180.0°
H9C9C10N43.9°0.0°
H9C9C10C11179.3°180.0°
C10N4O4O5179.7°179.9°
N4C10C11C12175.7°180.0°
N4C10C11N56.4°0.0°
C11C10N4O4179.4°142.5°
C11C10N4O50.3°37.4°
C10C11C12N5177.9°179.9°
C10C11C12H12179.9°180.0°
C10C11N5C13168.8°174.2°
C10C11N5HN566.0°5.9°
C12C11N5C139.1°5.8°
C12C11N5HN5116.2°174.1°
N5C11C12H122.2°0.1°
C11N5C13HN5125.3°179.9°
C11N5C13C14178.4°179.9°
C11N5C13H13153.2°59.9°
C11N5C13H13256.3°60.0°
N5C13C14H131125.2°120.0°
N5C13C14H132125.3°120.0°
N5C13H131H132117.9°120.0°
N5C13C14N6111.3°180.0°
N5C13C14H14114.0°60.0°
N5C13C14H142123.3°60.0°
HN5N5C13C1453.2°0.0°
HN5N5C13H13172.1°120.0°
HN5N5C13H132178.5°120.1°
C14C13H131H132117.9°120.0°
C13C14N6H141125.3°119.9°
C13C14N6H142125.3°120.0°
C13C14H141H142116.4°120.0°
C13C14N6HN61180.0°180.0°
C13C14N6HN6254.8°66.2°
H131C13C14N6123.4°60.1°
H131C13C14H141111.3°180.0°
H131C13C14H1421.9°60.0°
H132C13C14N613.9°60.0°
H132C13C14H141139.2°60.0°
H132C13C14H142111.4°180.0°
N6C14H141H142116.5°120.1°
C14N6HN61HN62125.2°113.8°
H141C14N6HN6154.7°60.1°
H141C14N6HN6270.5°173.8°
H142C14N6HN6154.7°60.0°
H142C14N6HN62180.0°53.7°

223532

PDB entries from 2024-08-07

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