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O1T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC9sing1.74Å1.74Å
C9C10doub1.39Å1.38ÅAromatic
C9N2sing1.32Å1.32ÅAromatic
C10C11sing1.39Å1.40ÅAromatic
N2C8doub1.33Å1.34ÅAromatic
O1C1sing1.43Å1.42Å
C11N3sing1.39Å1.40Å
C11C7doub1.41Å1.42ÅAromatic
C8C7sing1.41Å1.40ÅAromatic
C8Nsing1.37Å1.36ÅAromatic
C1C5sing1.55Å1.54Å
C1Csing1.54Å1.53Å
N3C12sing1.47Å1.46Å
C5Nsing1.47Å1.47Å
C5O8sing1.44Å1.42Å
C7C6sing1.41Å1.42ÅAromatic
NN1sing1.40Å1.37ÅAromatic
OCsing1.43Å1.42Å
C18C17doub1.38Å1.39ÅAromatic
C18C13sing1.38Å1.39ÅAromatic
CC2sing1.54Å1.52Å
O8C2sing1.44Å1.45Å
C12C19sing1.53Å1.53Å
C12C13sing1.51Å1.52Å
C17C16sing1.38Å1.37ÅAromatic
C2C3sing1.53Å1.51Å
C6N1doub1.30Å1.32ÅAromatic
C13C14doub1.38Å1.39ÅAromatic
C16Fsing1.35Å1.36Å
C16C15doub1.38Å1.37ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C3O2sing1.43Å1.43Å
O2Psing1.61Å1.57Å
O7Pdoub1.48Å1.52Å
PO6sing1.61Å1.56Å
PC4sing1.82Å1.80Å
O5P1doub1.48Å1.50Å
C4P1sing1.82Å1.80Å
P1O4sing1.61Å1.54Å
P1O3sing1.61Å1.53Å
N3H1sing0.97Å1.00Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C15H7sing1.08Å1.08Å
C17H8sing1.08Å1.08Å
C18H9sing1.08Å1.08Å
C14H10sing1.08Å1.08Å
C12H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
O1H16sing0.97Å0.95Å
C2H17sing1.09Å1.10Å
CH18sing1.09Å1.10Å
OH19sing0.97Å0.95Å
C3H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
O6H22sing0.97Å0.95Å
O4H23sing0.97Å0.95Å
O3H24sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC9C10118.7°119.2°
CLC9N2115.6°119.2°
C10C9N2125.4°121.6°
C9C10C11118.1°119.4°
C9C10H6120.9°120.3°
C9N2C8115.4°121.8°
C10C11N3117.4°121.0°
C10C11C7119.1°118.0°
C11C10H6120.9°120.3°
N2C8C7126.5°120.2°
N2C8N126.3°133.4°
O1C1C5111.0°110.5°
O1C1C110.2°110.5°
O1C1H15112.4°110.6°
C1O1H16109.5°114.0°
N3C11C7122.7°121.0°
C11N3C12130.5°120.0°
C11N3H1104.0°120.0°
C11C7C8115.3°119.0°
C11C7C6140.4°133.9°
C7C8N107.1°106.4°
C8C7C6104.3°107.1°
C8NC5127.1°125.9°
C8NN1111.0°108.2°
C5C1C101.3°104.0°
C1C5N114.0°110.4°
C1C5O8107.2°104.8°
C1C5H4106.8°110.5°
C5C1H15110.6°110.5°
C1CO117.0°110.5°
C1CC2101.6°104.1°
CC1H15110.8°110.5°
C1CH18109.0°110.5°
N3C12C19108.1°109.4°
N3C12C13114.9°109.5°
C12N3H1104.0°120.0°
N3C12H11107.7°109.5°
NC5O8112.7°110.4°
C5NN1121.9°125.8°
NC5H4107.7°110.3°
C5O8C2109.3°105.3°
O8C5H4108.3°110.4°
C7C6N1111.5°108.5°
C7C6H5124.3°125.7°
NN1C6106.1°109.7°
OCC2109.2°110.5°
OCH18110.4°110.6°
COH19109.5°114.0°
C17C18C13121.2°120.0°
C18C17C16118.2°120.0°
C18C17H8120.9°120.0°
C17C18H9119.4°120.0°
C18C13C12121.2°120.0°
C18C13C14118.3°120.0°
C13C18H9119.4°120.0°
CC2O8103.5°104.8°
CC2C3111.7°110.4°
CC2H17109.7°110.4°
C2CH18109.1°110.5°
O8C2C3111.2°110.4°
O8C2H17110.7°110.4°
C19C12C13111.9°109.5°
C19C12H11106.9°109.5°
C12C19H12109.5°109.5°
C12C19H13109.4°109.4°
C12C19H14109.4°109.5°
C12C13C14120.5°120.0°
C13C12H11107.0°109.5°
C17C16F118.6°120.0°
C17C16C15122.8°119.9°
C16C17H8120.9°120.0°
C2C3O2110.8°109.5°
C3C2H17109.8°110.3°
C2C3H20109.1°109.5°
C2C3H21109.2°109.4°
N1C6H5124.3°125.7°
C13C14C15121.2°120.0°
C13C14H10119.4°120.0°
FC16C15118.6°120.1°
C16C15C14118.3°120.0°
C16C15H7120.9°120.0°
C14C15H7120.9°120.0°
C15C14H10119.4°120.0°
C3O2P120.4°123.0°
O2C3H20109.1°109.5°
O2C3H21109.1°109.5°
O2PO7114.9°109.5°
O2PO6105.1°109.5°
O2PC4106.3°109.5°
O7PO6109.3°109.5°
O7PC4114.3°109.5°
O6PC4106.2°109.4°
PO6H22109.5°114.0°
PC4P1115.1°109.5°
PC4H2108.1°109.4°
PC4H3108.0°109.5°
O5P1C4114.6°109.5°
O5P1O4110.7°109.5°
O5P1O3110.8°109.5°
C4P1O4104.8°109.5°
C4P1O3107.7°109.5°
P1C4H2108.1°109.5°
P1C4H3108.1°109.5°
O4P1O3108.0°109.5°
P1O4H23109.5°114.0°
P1O3H24109.5°114.0°
H2C4H3109.4°109.5°
H12C19H13109.5°109.5°
H12C19H14109.5°109.4°
H13C19H14109.5°109.5°
H20C3H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC9C10N2173.4°179.9°
CLC9C10C11169.7°180.0°
CLC9N2C8172.8°180.0°
CLC9C10H610.3°0.1°
C9C10C11H6180.0°180.0°
C10C9N2C80.8°0.1°
C9C10C11N3164.4°179.9°
C9C10C11C75.1°0.0°
N2C9C10C113.8°0.1°
C9N2C8C70.7°0.1°
C9N2C8N178.6°180.0°
N2C9C10H6176.3°179.9°
C10C11N3C7169.1°179.9°
C10C11C7C83.6°0.0°
C10C11N3C12142.0°0.1°
C10C11C7C6175.9°179.9°
C10C11N3H195.3°179.9°
N2C8C7C110.7°0.0°
N2C8C7N179.4°179.9°
N2C8NC51.8°0.1°
N2C8C7C6178.9°179.9°
N2C8NN1178.9°179.9°
O1C1C5C117.0°118.7°
O1C1C5H15125.5°122.7°
O1C1CH15125.0°122.8°
O1C1C5N140.2°98.5°
O1C1C5O894.4°142.6°
O1C1CO38.9°0.0°
O1C1CC279.9°118.6°
O1C1C5H421.4°23.8°
O1C1CH18165.0°122.7°
N3C11C7C8165.3°179.9°
C11N3C12H1122.7°179.9°
N3C11C7C615.2°0.1°
C11N3C12C19152.4°85.1°
C11N3C12C1381.9°155.0°
N3C11C10H615.6°0.1°
C11N3C12H1137.2°34.9°
C11C7C8C6179.7°179.9°
C11C7C8N179.8°180.0°
C7C11N3C1248.9°180.0°
C11C7C6N1179.9°180.0°
C7C11N3H173.8°0.1°
C11C7C6H50.1°0.1°
C7C11C10H6175.0°180.0°
C7C8NC5178.7°180.0°
C7C8NN10.5°0.0°
C8C7C6N10.3°0.0°
C8C7C6H5179.6°179.9°
C8NC5C199.0°108.2°
C8NC5N1179.2°180.0°
C8NC5O8138.6°136.4°
NC8C7C60.5°0.0°
C8NN1C60.3°0.0°
C8NC5H419.3°14.2°
C5C1CH15117.4°118.6°
C1C5NO8122.4°115.4°
C1C5NH4118.3°122.3°
C1C5O8H4114.9°118.9°
C1C5NN180.2°71.9°
C5C1CO156.4°118.7°
C5C1CC237.6°0.0°
C1C5O8C22.5°40.5°
C5C1O1H16180.0°180.0°
C5C1CH1877.4°118.6°
CC1C5N102.8°142.8°
CC1C5O822.6°24.0°
C1COC2114.6°114.7°
C1COH18125.4°122.7°
C1CC2H18115.0°118.6°
C1CC2O840.2°24.0°
C1CC2C3160.0°142.8°
CC1C5H4138.4°94.9°
CC1O1H1668.6°65.3°
C1CC2H1778.0°94.9°
C1COH19180.0°61.5°
N3C12C13C1877.6°39.7°
N3C12C19C13127.5°120.0°
N3C12C19H11115.6°120.0°
N3C12C13H11119.4°120.0°
N3C12C13C14104.7°140.0°
N3C12C19H12180.0°180.0°
N3C12C19H1360.0°60.0°
N3C12C19H1460.0°60.0°
NC5O8H4119.0°122.2°
NC5O8C2128.6°159.4°
C5NN1C6179.0°180.0°
NC5C1H1514.8°24.2°
O8C5NN142.2°43.5°
C5O8C2C26.9°40.5°
C5O8C2C3147.1°159.4°
O8C5C1H15140.2°94.7°
C5O8C2H1790.6°78.4°
C7C6N1N0.1°0.0°
C7C6N1H5180.0°179.9°
N1NC5H4161.5°165.8°
NN1C6H5179.9°179.9°
OCC2H18120.8°122.7°
OCC2O8164.4°142.6°
OCC2C375.8°98.5°
OCC1H1586.1°122.7°
OCC2H1746.3°23.7°
C17C18C13H9180.0°180.0°
C17C18C13C12177.9°179.7°
C18C17C16H8180.0°179.9°
C17C18C13C140.1°0.0°
C18C17C16F176.5°179.9°
C18C17C16C151.3°0.1°
C18C13C12C1946.1°80.3°
C18C13C12C14177.7°179.7°
C13C18C17C160.7°0.1°
C18C13C14C150.4°0.0°
C13C18C17H8179.3°180.0°
C18C13C14H10179.6°180.0°
C18C13C12H11163.0°159.7°
CC2O8C3120.1°118.8°
CC2O8H17117.5°118.9°
CC2C3H17122.0°122.3°
CC2C3O2176.1°178.2°
C2CC1H15155.1°118.6°
C2COH1965.4°176.1°
CC2C3H2055.9°58.1°
CC2C3H2163.7°61.9°
O8C2C3H17122.8°122.3°
O8C2C3O268.7°66.4°
C2O8C5H4112.4°78.4°
O8C2CH1874.8°94.6°
O8C2C3H20171.1°173.5°
O8C2C3H2151.5°53.5°
C19C12C13H11116.8°120.0°
C19C12C13C14131.6°100.0°
C19C12N3H129.7°95.1°
C12C19H12H13120.0°120.0°
C12C19H12H14120.0°120.0°
C12C19H13H14120.0°120.0°
C12C13C14C15178.2°179.7°
C13C12N3H1155.5°24.9°
C12C13C18H92.1°0.3°
C12C13C14H101.9°0.3°
C13C12C19H1252.5°60.0°
C13C12C19H13172.5°180.0°
C13C12C19H1467.5°60.0°
C17C16FC15177.9°180.0°
C17C16C15C141.1°0.1°
C17C16C15H7178.9°180.0°
C16C17C18H9179.3°180.0°
C2C3O2H20120.2°120.0°
C2C3O2H21120.2°120.0°
C2C3O2P151.2°180.0°
C3C2CH1845.0°24.2°
C2C3H20H21119.4°119.9°
C13C14C15C160.2°0.0°
C13C14C15H10180.0°179.9°
C13C14C15H7179.8°179.9°
C14C13C18H9179.9°180.0°
C14C13C12H1114.8°20.0°
FC16C15C14176.7°180.0°
FC16C15H73.3°0.0°
FC16C17H83.5°0.0°
C16C15C14H7180.0°179.9°
C15C16C17H8178.7°180.0°
C16C15C14H10179.8°179.9°
C3O2PO757.5°55.0°
C3O2PO6177.6°65.0°
C3O2PC470.0°175.0°
O2C3C2H1754.1°55.8°
O2C3H20H21119.4°120.0°
O2PO7O6117.8°120.0°
O2PO7C4123.3°120.0°
O2PO6C4112.4°120.0°
O2PC4P144.7°180.0°
O2PC4H2165.6°60.0°
O2PC4H376.1°59.9°
PO2C3H2031.0°60.0°
PO2C3H2188.6°60.0°
O2PO6H22123.8°59.9°
O7PO6C4123.8°120.0°
O7PC4P1172.6°60.0°
O7PC4H266.5°60.0°
O7PC4H351.8°180.0°
O7PO6H220.0°180.0°
O6PC4P166.8°60.0°
O6PC4H254.1°180.0°
O6PC4H3172.4°60.0°
PC4P1O543.9°60.0°
PC4P1H2120.8°119.9°
PC4P1H3120.8°120.0°
PC4P1O477.5°180.0°
PC4P1O3167.6°60.0°
PC4H2H3117.4°120.0°
C4PO6H22123.8°60.0°
O5P1C4O4121.5°120.0°
O5P1C4O3123.7°120.0°
O5P1O4O3121.4°120.0°
O5P1C4H2164.8°59.9°
O5P1C4H376.9°180.0°
O5P1O4H230.0°60.0°
O5P1O3H240.0°180.0°
C4P1O4O3114.6°120.0°
P1C4H2H3117.5°120.1°
C4P1O4H23124.0°180.0°
C4P1O3H24126.0°59.9°
O4P1C4H243.3°60.0°
O4P1C4H3161.7°60.0°
O4P1O3H24121.4°60.1°
O3P1C4H271.5°180.0°
O3P1C4H346.8°60.0°
O3P1O4H23121.4°59.9°
H1N3C12H1185.5°144.9°
H4C5C1H15104.0°146.5°
H7C15C14H100.2°0.0°
H8C17C18H90.7°0.0°
H11C12C19H1264.4°60.0°
H11C12C19H1355.6°60.0°
H11C12C19H14175.6°180.0°
H12C19H13H14120.0°120.0°
H15C1O1H1655.5°57.4°
H15C1CH1840.0°0.0°
H17C2CH18167.1°146.5°
H17C2C3H2066.1°64.2°
H17C2C3H21174.3°175.8°
H18COH1954.6°61.2°

225946

PDB entries from 2024-10-09

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