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1W8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NOsing1.42Å1.42Å
NC2doub1.30Å1.28Å
CC1sing1.53Å1.47Å
OC1sing1.43Å1.43Å
N1C3doub1.31Å1.34ÅAromatic
N1Ssing1.70Å1.67ÅAromatic
O1C5doub1.22Å1.23Å
S1C7sing1.82Å1.79Å
S1C11sing1.82Å1.81Å
C2C3sing1.48Å1.48Å
C2C5sing1.48Å1.49Å
N2C3sing1.32Å1.37ÅAromatic
N2C4doub1.31Å1.31ÅAromatic
O2C8doub1.21Å1.22Å
S2C10sing1.76Å1.73Å
S2C12sing1.76Å1.72Å
N3C4sing1.38Å1.34Å
O3C21doub1.22Å1.25Å
S3C12sing1.76Å1.73ÅAromatic
S3C14sing1.76Å1.72ÅAromatic
C4Ssing1.72Å1.80ÅAromatic
N4C5sing1.35Å1.34Å
N4C6sing1.47Å1.45Å
O4C21sing1.35Å1.25Å
N5C7sing1.49Å1.47Å
N5C8sing1.33Å1.37Å
N5C9sing1.41Å1.41Å
C6C7sing1.52Å1.56Å
C6C8sing1.51Å1.54Å
N6C12doub1.30Å1.31ÅAromatic
N6C13sing1.33Å1.39ÅAromatic
N7C17sing1.32Å1.35ÅAromatic
N7C18doub1.32Å1.35ÅAromatic
N7C20sing1.47Å1.48Å
C9C10doub1.35Å1.35Å
C9C21sing1.42Å1.51Å
C10C11sing1.49Å1.50Å
C13C14doub1.35Å1.36ÅAromatic
C13C15sing1.48Å1.47Å
C15C16sing1.40Å1.39ÅAromatic
C15C19doub1.40Å1.39ÅAromatic
C16C17doub1.38Å1.37ÅAromatic
C18C19sing1.38Å1.37ÅAromatic
CHC1sing1.09Å1.10Å
CHC2sing1.09Å1.10Å
CHC3sing1.09Å1.10Å
C1H11Csing1.09Å1.10Å
C1H12Csing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
N3H31Nsing0.97Å1.00Å
N3H32Nsing0.97Å1.00Å
C14H14sing1.08Å1.08Å
N4H4sing0.97Å1.00Å
C6H6sing1.09Å1.10Å
O4HAsing0.97Å0.95Å
C17H17sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H203sing1.09Å1.10Å
C16H16sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
ONC2118.3°120.0°
NOC1108.0°114.0°
NC2C3126.2°120.0°
NC2C5120.1°120.0°
CC1O104.1°109.4°
C1CHC1109.5°109.4°
C1CHC2109.5°109.4°
C1CHC3109.5°109.4°
CC1H11C110.8°109.4°
CC1H12C110.8°109.4°
OC1H11C110.8°109.5°
OC1H12C110.8°109.5°
C3N1S108.8°105.8°
N1C3C2121.4°121.3°
N1C3N2120.0°117.4°
N1SC490.6°94.7°
O1C5C2121.9°120.0°
O1C5N4123.8°120.0°
C7S1C1195.1°100.8°
S1C7N5110.5°106.2°
S1C7C6117.8°115.6°
S1C7H7110.5°113.6°
S1C11C10125.0°112.4°
S1C11H111105.5°108.9°
S1C11H112105.4°108.9°
C3C2C5113.7°120.0°
C2C3N2118.7°121.3°
C2C5N4114.3°120.0°
C3N2C4108.8°116.8°
N2C4N3124.2°127.4°
N2C4S111.8°105.3°
O2C8N5132.1°132.0°
O2C8C6136.4°132.1°
C10S2C1299.5°100.0°
S2C10C9121.0°116.1°
S2C10C11114.0°116.2°
S2C12S3124.5°125.3°
S2C12N6120.4°125.3°
N3C4S124.0°127.3°
C4N3H31N109.5°120.0°
C4N3H32N109.4°120.0°
O3C21O4125.6°120.0°
O3C21C9117.8°120.0°
C12S3C1488.4°90.0°
S3C12N6115.1°109.4°
S3C14C13111.5°108.2°
S3C14H14124.3°125.9°
C5N4C6121.5°120.0°
C5N4H4119.3°120.0°
N4C6C7118.1°114.3°
N4C6C8116.2°114.3°
C6N4H4119.2°120.0°
N4C6H6112.6°113.4°
O4C21C9116.5°120.0°
C21O4HA109.5°114.0°
C7N5C894.7°90.2°
C7N5C9126.5°127.4°
N5C7C687.2°89.3°
N5C7H7115.4°114.6°
C8N5C9136.2°141.9°
N5C8C691.5°95.9°
N5C9C10111.9°119.6°
N5C9C21115.4°120.2°
C7C6C884.8°82.5°
C6C7H7113.7°115.0°
C7C6H6110.9°114.4°
C8C6H6111.3°114.4°
C12N6C13110.9°117.0°
N6C13C14114.0°115.4°
N6C13C15119.7°122.3°
C17N7C18120.1°122.1°
C17N7C20119.9°119.0°
N7C17C16120.9°120.9°
N7C17H17119.6°119.6°
C18N7C20120.0°119.0°
N7C18C19121.0°120.8°
N7C18H18119.5°119.6°
N7C20H201109.5°109.5°
N7C20H202109.5°109.5°
N7C20H203109.5°109.5°
C10C9C21132.7°120.2°
C9C10C11125.0°127.7°
C10C11H111105.5°108.9°
C10C11H112105.5°108.9°
C14C13C15126.2°122.3°
C13C14H14124.2°125.9°
C13C15C16120.9°120.9°
C13C15C19120.9°121.0°
C16C15C19118.2°118.2°
C15C16C17119.9°119.0°
C15C16H16120.0°120.5°
C15C19C18119.9°119.1°
C15C19H19120.1°120.5°
C16C17H17119.5°119.5°
C17C16H16120.1°120.5°
C19C18H18119.5°119.6°
C18C19H19120.0°120.5°
HC1CHC2109.4°109.5°
HC1CHC3109.4°109.5°
HC2CHC3109.5°109.5°
H11CC1H12C109.5°109.5°
H111C11H112109.5°108.8°
H31NN3H32N109.5°120.0°
H201C20H202109.5°109.4°
H201C20H203109.4°109.5°
H202C20H203109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NOC1C101.7°180.0°
ONC2C3180.0°174.8°
ONC2C50.0°5.2°
NOC1H11C17.5°60.0°
NOC1H12C139.2°60.1°
C2NOC1180.0°180.0°
NC2C3N1118.3°173.6°
NC2C5O1113.4°5.6°
NC2C3C5180.0°180.0°
NC2C3N261.7°6.4°
NC2C5N466.6°174.4°
CC1OH11C119.1°119.9°
CC1OH12C119.2°120.0°
C1CHC1HC2120.0°120.0°
C1CHC1HC3120.0°120.0°
C1CHC2HC3120.0°119.9°
CC1H11CH12C122.5°120.0°
OC1CHC1180.0°60.0°
OC1CHC260.0°180.0°
OC1CHC360.0°60.0°
OC1H11CH12C122.5°120.1°
N1C3C2N2180.0°180.0°
N1C3C2C561.7°6.4°
N1C3N2C40.0°0.0°
C3N1SC40.0°0.0°
SN1C3C2180.0°180.0°
SN1C3N20.0°0.0°
N1SC4N20.0°0.0°
N1SC4N3180.0°179.9°
O1C5C2C366.6°174.4°
O1C5C2N4180.0°180.0°
O1C5N4C6110.2°5.1°
O1C5N4H469.8°174.9°
S1C7C6N44.1°4.1°
S1C7N5C6118.7°116.5°
S1C7N5H7126.3°126.2°
S1C7N5C8129.3°127.6°
S1C7N5C966.7°45.4°
S1C7C6H7131.7°135.4°
S1C7C6C8121.1°117.5°
C7S1C11C1014.0°43.9°
C7S1C11H111108.1°76.8°
C7S1C11H112136.1°164.7°
S1C7C6H6128.1°129.0°
S1C11C10S2172.3°157.5°
C11S1C7N541.3°51.9°
C11S1C7C6139.3°149.1°
S1C11C10C97.7°22.4°
S1C11C10H111122.1°120.8°
S1C11C10H112122.1°120.8°
C11S1C7H787.6°74.9°
S1C11H111H112113.0°118.6°
C2C3N2C4180.0°180.0°
C3C2C5N4113.4°5.6°
C5C2C3N2118.2°173.6°
C2C5N4C669.8°175.0°
C2C5N4H4110.2°5.0°
C3N2C4N3180.0°180.0°
C3N2C4S0.0°0.0°
N2C4N3S180.0°179.9°
N2C4N3H31N0.0°0.1°
N2C4N3H32N120.0°180.0°
O2C8C6N471.2°77.8°
O2C8N5C7169.3°168.7°
O2C8N5C6180.0°180.0°
O2C8N5C97.9°20.3°
O2C8C6C7169.9°168.8°
O2C8C6H659.5°55.3°
C10S2C12S372.2°6.1°
S2C10C9N5179.8°176.2°
C10S2C12N6107.7°173.9°
S2C10C9C11180.0°179.9°
S2C10C9C210.0°3.8°
S2C10C11H11150.2°81.7°
S2C10C11H11265.6°36.7°
S2C12S3N6180.0°180.0°
S2C12S3C14180.0°180.0°
S2C12N6C13180.0°180.0°
C12S2C10C9139.0°113.3°
C12S2C10C1141.0°66.6°
C4N3H31NH32N120.0°179.9°
O3C21O4C9179.9°180.0°
O3C21C9N5113.4°174.2°
O3C21C9C1066.7°5.8°
O3C21O4HA0.0°5.0°
S3C12N6C130.1°0.0°
C12S3C14C130.0°0.0°
C12S3C14H14180.0°180.0°
C14S3C12N60.0°0.0°
S3C14C13N60.1°0.1°
S3C14C13H14180.0°179.9°
S3C14C13C15180.0°180.0°
SC4N3H31N180.0°180.0°
SC4N3H32N60.0°0.1°
C5N4C6H4180.0°180.0°
C5N4C6C7135.8°155.0°
C5N4C6C8125.6°112.2°
C5N4C6H64.4°21.4°
N4C6C7N5107.6°103.5°
N4C6C8N5108.8°102.2°
N4C6C7C8117.1°113.4°
N4C6C7H6132.1°133.2°
N4C6C8H6130.7°133.2°
N4C6C7H7135.7°139.5°
O4C21C9N566.7°5.9°
O4C21C9C10113.1°174.1°
C7N5C8C9161.4°171.1°
N5C7C6H7116.6°117.0°
C7N5C8C610.7°11.3°
C7N5C9C1040.8°18.0°
C7N5C9C21139.1°162.0°
N5C7C6H6120.2°123.3°
C8N5C9C10162.5°150.7°
C8N5C9C2117.6°29.3°
C8N5C7H7104.5°106.1°
N5C8C6H6120.5°124.6°
C9N5C7C6174.6°161.9°
C9N5C8C6172.1°159.8°
N5C9C10C21179.9°180.0°
N5C9C10C110.2°3.7°
C9N5C7H759.6°80.8°
C7C6C8H6110.5°113.5°
C7C6N4H444.2°25.0°
C8C6C7H7107.2°107.1°
C8C6N4H454.4°67.8°
C12N6C13C140.1°0.1°
C12N6C13C15180.0°180.0°
N6C13C14C15179.9°179.9°
N6C13C15C16140.3°0.1°
N6C13C15C1939.8°179.9°
N6C13C14H14180.0°180.0°
C17N7C18C20179.9°179.7°
N7C17C16C150.0°0.0°
N7C17C16H17180.0°180.0°
C17N7C18C190.1°0.0°
C17N7C18H18180.0°180.0°
C17N7C20H201180.0°90.0°
C17N7C20H20260.0°150.0°
C17N7C20H20360.0°30.0°
N7C17C16H16180.0°180.0°
N7C18C19C150.1°0.0°
C18N7C17C160.0°0.0°
N7C18C19H18180.0°180.0°
C18N7C17H17180.0°179.9°
C18N7C20H2010.1°90.3°
C18N7C20H202119.9°29.7°
C18N7C20H203120.1°149.7°
N7C18C19H19179.9°179.9°
C20N7C17C16180.0°179.7°
C20N7C18C19180.0°179.7°
C20N7C17H170.0°0.3°
C20N7C18H180.0°0.3°
N7C20H201H202120.0°120.0°
N7C20H201H203120.0°120.0°
N7C20H202H203120.0°120.1°
C9C10C11H111129.8°98.3°
C9C10C11H112114.4°143.2°
C21C9C10C11180.0°176.3°
C9C21O4HA179.9°175.0°
C10C11H111H112113.0°118.6°
C14C13C15C1639.6°180.0°
C14C13C15C19140.3°0.0°
C13C15C16C19179.9°180.0°
C13C15C16C17180.0°180.0°
C13C15C19C18180.0°179.9°
C15C13C14H140.0°0.1°
C13C15C16H160.0°0.1°
C13C15C19H190.0°0.0°
C15C16C17H16180.0°180.0°
C16C15C19C180.1°0.0°
C15C16C17H17180.0°180.0°
C16C15C19H19179.9°180.0°
C19C15C16C170.0°0.0°
C15C19C18H19180.0°179.9°
C15C19C18H18179.9°179.9°
C19C15C16H16180.0°179.9°
HC1CHC2HC3120.0°120.1°
HC1CC1H11C60.9°180.0°
HC1CC1H12C60.9°60.0°
HC2CC1H11C59.1°60.0°
HC2CC1H12C179.2°60.0°
HC3CC1H11C179.2°59.9°
HC3CC1H12C59.1°180.0°
H7C7C6H63.6°6.3°
H4N4C6H6175.6°158.6°
H17C17C16H160.0°0.0°
H18C18C19H190.1°0.0°
H201C20H202H203120.0°120.0°

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