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VI5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
FC7sing1.35Å1.31Å
C6C7doub1.38Å1.38ÅAromatic
C6C5sing1.38Å1.37ÅAromatic
C7C8sing1.38Å1.40ÅAromatic
C5C4doub1.38Å1.38ÅAromatic
C8C3doub1.39Å1.39ÅAromatic
C4C3sing1.39Å1.38ÅAromatic
C3N1sing1.40Å1.42Å
OC2doub1.21Å1.22Å
C2N1sing1.35Å1.35Å
C2C1sing1.51Å1.55Å
CNsing1.47Å1.51Å
NC1sing1.47Å1.53Å
N1H1sing0.97Å1.00Å
C8H2sing1.08Å1.08Å
C1H3sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C4H7sing1.08Å1.08Å
NH8sing1.01Å1.00Å
CH10sing1.09Å1.10Å
CH11sing1.09Å1.10Å
CH12sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
FC7C6118.1°120.0°
FC7C8119.5°120.0°
C7C6C5118.8°120.2°
C6C7C8122.4°120.0°
C7C6H6120.6°119.9°
C6C5C4120.9°120.1°
C6C5H5119.5°120.0°
C5C6H6120.6°119.9°
C7C8C3116.7°119.9°
C7C8H2121.6°120.0°
C5C4C3119.3°120.0°
C4C5H5119.6°120.0°
C5C4H7120.4°120.0°
C8C3C4122.0°119.9°
C8C3N1121.3°120.0°
C3C8H2121.7°120.1°
C4C3N1116.7°120.1°
C3C4H7120.3°120.0°
C3N1C2123.7°120.0°
C3N1H1118.2°120.0°
OC2N1126.2°120.0°
OC2C1119.6°120.1°
N1C2C1114.2°120.0°
C2N1H1118.1°120.0°
C2C1N110.0°109.4°
C2C1H3109.3°109.5°
C2C1H4109.3°109.5°
CNC1111.1°111.0°
CNH8109.1°111.0°
NCH10109.5°109.5°
NCH11109.5°109.4°
NCH12109.5°109.5°
NC1H3109.4°109.5°
NC1H4109.3°109.5°
C1NH8109.1°111.0°
H3C1H4109.5°109.5°
H10CH11109.5°109.5°
H10CH12109.5°109.5°
H11CH12109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
FC7C6C8179.7°179.7°
FC7C6C5179.6°179.8°
FC7C8C3179.8°179.7°
FC7C8H20.2°0.3°
FC7C6H60.4°0.3°
C7C6C5H6180.0°180.0°
C7C6C5C40.0°0.0°
C6C7C8C30.1°0.0°
C6C7C8H2179.9°180.0°
C7C6C5H5180.0°180.0°
C5C6C7C80.1°0.0°
C6C5C4H5180.0°180.0°
C6C5C4C30.2°0.0°
C6C5C4H7179.8°179.9°
C7C8C3H2180.0°180.0°
C7C8C3C40.4°0.1°
C7C8C3N1177.5°180.0°
C8C7C6H6179.9°180.0°
C5C4C3C80.5°0.1°
C5C4C3H7180.0°179.9°
C5C4C3N1177.5°180.0°
C4C5C6H6180.0°180.0°
C8C3C4N1177.9°179.9°
C8C3N1C218.2°33.4°
C8C3N1H1161.8°146.8°
C8C3C4H7179.5°179.9°
C4C3N1C2163.9°146.7°
C4C3N1H116.2°33.1°
C4C3C8H2179.6°179.9°
C3C4C5H5179.8°179.9°
C3N1C2O0.9°5.1°
C3N1C2H1180.0°179.7°
C3N1C2C1179.3°174.9°
N1C3C8H22.5°0.0°
N1C3C4H72.5°0.1°
OC2N1C1179.8°180.0°
OC2C1N39.0°0.0°
OC2N1H1179.1°174.6°
OC2C1H3159.1°120.0°
OC2C1H481.1°120.0°
N1C2C1N140.8°180.0°
N1C2C1H320.8°60.0°
N1C2C1H499.1°60.0°
C2C1NC69.5°180.0°
C2C1NH3120.1°120.0°
C2C1NH4120.1°120.0°
C1C2N1H10.7°5.3°
C2C1H3H4119.7°120.0°
C2C1NH8170.2°56.1°
CNC1H8120.2°123.9°
CNC1H3170.4°60.0°
CNC1H450.5°60.1°
NCH10H11120.0°120.0°
NCH10H12120.0°120.0°
NCH11H12120.0°120.0°
NC1H3H4119.8°120.0°
C1NCH10180.0°59.9°
C1NCH1160.0°60.1°
C1NCH1260.0°180.0°
H3C1NH850.1°63.9°
H4C1NH869.7°176.1°
H5C5C6H60.0°0.1°
H5C5C4H70.2°0.1°
H8NCH1059.7°64.0°
H8NCH1160.3°176.1°
H8NCH12179.8°56.1°
H10CH11H12120.0°120.0°

222415

PDB entries from 2024-07-10

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