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94D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O19P12doub1.48Å1.54Å
C15C14sing1.53Å1.51Å
C10C9doub1.35Å1.35ÅAromatic
C10C11sing1.41Å1.41ÅAromatic
P12O18sing1.61Å1.57Å
P12C9sing1.81Å1.91Å
P12O17sing1.61Å1.50Å
C16C14sing1.53Å1.54Å
C9O8sing1.34Å1.34ÅAromatic
C11C7doub1.36Å1.35ÅAromatic
C14C13sing1.53Å1.52Å
O8C7sing1.35Å1.36ÅAromatic
C7C3sing1.48Å1.45Å
C13C4sing1.51Å1.52Å
C3C4doub1.35Å1.37ÅAromatic
C3N2sing1.33Å1.39ÅAromatic
C4S5sing1.76Å1.74ÅAromatic
N2C1doub1.30Å1.31ÅAromatic
S5C1sing1.76Å1.73ÅAromatic
C1N6sing1.39Å1.34Å
C10H1sing1.08Å1.08Å
C11H2sing1.08Å1.08Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
N6H12sing0.97Å1.00Å
N6H13sing0.97Å1.00Å
O17H14sing0.97Å0.95Å
O18H15sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O19P12O18121.1°109.5°
O19P12C9106.8°109.5°
O19P12O17112.3°109.5°
C15C14C16110.5°109.5°
C15C14C13110.3°109.5°
C14C15H3109.5°109.5°
C14C15H4109.4°109.5°
C14C15H5109.4°109.4°
C15C14H6108.5°109.5°
C9C10C11106.5°107.0°
C10C9P12130.4°125.7°
C10C9O8110.4°108.7°
C9C10H1126.7°126.5°
C10C11C7106.4°106.8°
C11C10H1126.8°126.5°
C10C11H2126.8°126.6°
O18P12C9108.5°109.5°
O18P12O17108.1°109.4°
P12O18H15109.5°114.0°
C9P12O1797.5°109.5°
P12C9O8119.3°125.6°
P12O17H14109.5°114.0°
C16C14C13110.8°109.5°
C16C14H6108.2°109.4°
C14C16H9109.5°109.4°
C14C16H10109.5°109.4°
C14C16H11109.5°109.5°
C9O8C7107.1°109.4°
C11C7O8109.7°108.1°
C11C7C3135.8°125.9°
C7C11H2126.8°126.6°
C14C13C4115.1°109.5°
C13C14H6108.4°109.5°
C14C13H7108.0°109.5°
C14C13H8108.0°109.5°
O8C7C3114.5°125.9°
C7C3C4126.9°122.4°
C7C3N2117.1°122.4°
C13C4C3128.9°125.9°
C13C4S5122.3°125.8°
C4C13H7108.0°109.5°
C4C13H8108.0°109.4°
C4C3N2116.0°115.3°
C3C4S5108.8°108.3°
C3N2C1110.8°116.8°
C4S5C189.6°90.1°
N2C1S5114.8°109.5°
N2C1N6123.6°125.2°
S5C1N6121.6°125.3°
C1N6H12109.5°120.1°
C1N6H13109.4°120.0°
H3C15H4109.5°109.5°
H3C15H5109.5°109.5°
H4C15H5109.5°109.5°
H7C13H8109.5°109.5°
H9C16H10109.5°109.5°
H9C16H11109.4°109.5°
H10C16H11109.5°109.5°
H12N6H13109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O19P12C9C1082.8°65.2°
O19P12O18C9123.8°120.0°
O19P12O18O17131.5°120.0°
O19P12C9O17116.0°120.0°
O19P12C9O897.3°115.0°
O19P12O17H140.0°180.0°
O19P12O18H150.0°59.9°
C15C14C16C13122.6°120.0°
C15C14C16H6118.7°119.9°
C15C14C13H6118.7°120.0°
C15C14C13C465.8°175.0°
C14C15H3H4120.0°120.1°
C14C15H3H5120.0°119.9°
C14C15H4H5120.0°119.9°
C15C14C13H7173.3°65.0°
C15C14C13H855.0°55.0°
C15C14C16H9180.0°180.0°
C15C14C16H1060.0°60.0°
C15C14C16H1160.0°60.0°
C9C10C11H1180.0°180.0°
C10C9P12O1849.2°174.8°
C10C9P12O8179.9°179.8°
C10C9P12O17161.2°54.8°
C9C10C11C70.5°0.1°
C10C9O8C70.1°0.1°
C9C10C11H2179.5°179.9°
C11C10C9P12179.8°179.8°
C11C10C9O80.2°0.0°
C10C11C7H2180.0°180.0°
C10C11C7O80.6°0.2°
C10C11C7C3179.5°180.0°
O18P12C9O17112.0°120.0°
O18P12C9O8130.7°5.0°
O18P12O17H14136.1°60.0°
P12C9O8C7179.8°180.0°
P12C9C10H10.1°0.1°
C9P12O17H14111.6°60.0°
C9P12O18H15123.8°180.0°
O17P12C9O818.8°125.0°
O17P12O18H15131.5°60.0°
C16C14C13H6118.6°119.9°
C16C14C13C4171.5°65.0°
C16C14C15H3180.0°180.0°
C16C14C15H460.0°60.0°
C16C14C15H560.0°60.0°
C16C14C13H750.6°55.0°
C16C14C13H867.7°175.0°
C14C16H9H10120.0°119.9°
C14C16H9H11120.0°120.0°
C14C16H10H11120.0°120.0°
C9O8C7C110.4°0.2°
C9O8C7C3179.6°180.0°
O8C9C10H1179.8°180.0°
C11C7O8C3179.2°179.8°
C11C7C3C413.8°145.0°
C11C7C3N2167.8°35.3°
C7C11C10H1179.5°179.9°
C14C13C4H7120.8°120.0°
C14C13C4H8120.8°120.0°
C14C13C4C3135.1°90.0°
C14C13C4S545.3°90.0°
C13C14C15H357.1°60.0°
C13C14C15H462.9°180.0°
C13C14C15H5177.1°60.0°
C14C13H7H8117.4°120.0°
C13C14C16H957.4°60.0°
C13C14C16H10177.4°60.0°
C13C14C16H1162.6°180.0°
O8C7C3C4165.1°35.3°
O8C7C3N213.3°144.4°
O8C7C11H2179.4°179.8°
C7C3C4C131.7°0.1°
C7C3C4N2178.4°179.7°
C7C3C4S5178.6°180.0°
C7C3N2C1179.1°179.9°
C3C7C11H20.5°0.0°
C13C4C3S5179.6°180.0°
C13C4C3N2179.9°179.8°
C13C4S5C1179.6°179.9°
C4C13C14H652.9°54.9°
C4C13H7H8117.4°120.0°
C4C3N2C10.5°0.2°
C3C4S5C10.1°0.2°
C3C4C13H7104.1°150.0°
C3C4C13H814.3°30.0°
N2C3C4S50.2°0.2°
C3N2C1S50.5°0.1°
C3N2C1N6178.8°180.0°
C4S5C1N20.3°0.0°
C4S5C1N6179.0°179.9°
S5C4C13H775.5°30.0°
S5C4C13H8166.1°150.0°
N2C1S5N6179.4°179.9°
N2C1N6H120.0°0.1°
N2C1N6H13120.0°180.0°
S5C1N6H12179.3°179.9°
S5C1N6H1360.7°0.1°
C1N6H12H13120.0°179.9°
H1C10C11H20.5°0.1°
H3C15H4H5120.0°120.0°
H3C15C14H661.5°60.1°
H4C15C14H6178.5°59.9°
H5C15C14H658.5°179.9°
H6C14C13H768.0°175.0°
H6C14C13H8173.7°65.0°
H6C14C16H961.3°60.0°
H6C14C16H1058.7°180.0°
H6C14C16H11178.7°60.0°
H9C16H10H11120.0°120.0°

217705

PDB entries from 2024-03-27

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