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2BV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
NC9sing1.47Å1.47Å
NC2sing1.47Å1.47Å
O3C10sing1.43Å1.45Å
C9C10sing1.53Å1.53Å
C2C3sing1.51Å1.48Å
C10C11sing1.53Å1.53Å
O1Pdoub1.48Å1.47Å
C11Psing1.82Å1.82Å
C3C4doub1.38Å1.40ÅAromatic
C3C8sing1.38Å1.40ÅAromatic
C4C5sing1.38Å1.38ÅAromatic
PO2sing1.61Å1.59Å
PC12sing1.82Å1.82Å
C8C7doub1.38Å1.39ÅAromatic
C5CL2sing1.74Å1.78Å
C5C6doub1.38Å1.49ÅAromatic
C12C13sing1.53Å1.54Å
C7C6sing1.38Å1.39ÅAromatic
C6CL1sing1.74Å1.80Å
C13C14sing1.53Å1.53Å
C13C18sing1.53Å1.54Å
C14C15sing1.53Å1.53Å
C18C17sing1.53Å1.54Å
C15C16sing1.53Å1.54Å
C17C16sing1.53Å1.54Å
O2H1sing0.97Å0.95Å
C12H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C18H5sing1.09Å1.10Å
C18H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
O3H16sing0.97Å0.95Å
C9H17sing1.09Å1.10Å
C9H18sing1.09Å1.10Å
NH19sing1.01Å1.00Å
C2H21sing1.09Å1.10Å
C1H22sing1.09Å1.10Å
C1H23sing1.09Å1.10Å
C1H24sing1.09Å1.10Å
C8H25sing1.08Å1.08Å
C7H26sing1.08Å1.08Å
C4H27sing1.08Å1.08Å
C16H28sing1.09Å1.10Å
C15H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2N113.9°109.5°
C1C2C3111.3°109.5°
C1C2H21104.9°109.4°
C2C1H22109.5°109.5°
C2C1H23109.4°109.5°
C2C1H24109.5°109.5°
C9NC2123.5°111.0°
NC9C10111.7°109.5°
NC9H17108.9°109.5°
NC9H18108.9°109.5°
C9NH19105.9°111.0°
NC2C3114.7°109.5°
C2NH19105.9°111.0°
NC2H21105.5°109.5°
O3C10C9107.6°109.5°
O3C10C11112.5°109.5°
O3C10H15110.0°109.5°
C10O3H16109.5°114.0°
C9C10C11108.9°109.4°
C9C10H15108.9°109.4°
C10C9H17108.9°109.4°
C10C9H18108.9°109.5°
C2C3C4121.2°120.0°
C2C3C8117.3°120.0°
C3C2H21105.4°109.4°
C10C11P112.2°109.4°
C10C11H13108.8°109.5°
C10C11H14108.8°109.5°
C11C10H15109.0°109.5°
O1PC11109.0°109.5°
O1PO2106.5°109.5°
O1PC12111.6°109.5°
C11PO2107.9°109.4°
C11PC12110.2°109.5°
PC11H13108.8°109.5°
PC11H14108.8°109.4°
C4C3C8121.4°120.0°
C3C4C5118.2°120.0°
C3C4H27120.9°120.0°
C3C8C7121.6°120.1°
C3C8H25119.2°120.0°
C4C5CL2121.8°120.0°
C4C5C6120.8°119.9°
C5C4H27120.9°120.0°
O2PC12111.5°109.5°
PO2H1109.5°114.0°
PC12C13113.3°109.5°
PC12H2108.5°109.5°
PC12H3108.5°109.5°
C8C7C6119.3°120.0°
C7C8H25119.2°120.0°
C8C7H26120.4°120.0°
CL2C5C6117.3°120.1°
C5C6C7118.7°120.0°
C5C6CL1118.0°120.0°
C12C13C14109.8°109.5°
C12C13C18112.9°109.5°
C13C12H2108.5°109.5°
C13C12H3108.5°109.5°
C12C13H4106.8°109.5°
C7C6CL1123.4°120.0°
C6C7H26120.4°120.0°
C14C13C18113.2°109.5°
C13C14C15114.7°109.4°
C14C13H4106.9°109.5°
C13C14H11108.1°109.5°
C13C14H12108.1°109.5°
C13C18C17117.4°109.5°
C18C13H4106.9°109.4°
C13C18H5107.5°109.4°
C13C18H6107.5°109.4°
C14C15C16115.1°109.4°
C14C15H10108.0°109.4°
C15C14H11108.1°109.5°
C15C14H12108.1°109.5°
C14C15H29108.1°109.4°
C18C17C16115.5°109.5°
C17C18H5107.4°109.5°
C17C18H6107.4°109.5°
C18C17H7108.0°109.5°
C18C17H8107.9°109.4°
C15C16C17115.3°109.5°
C15C16H9108.0°109.4°
C16C15H10108.1°109.5°
C15C16H28108.0°109.5°
C16C15H29108.1°109.5°
C16C17H7107.9°109.5°
C16C17H8108.0°109.5°
C17C16H9108.0°109.4°
C17C16H28108.0°109.5°
H2C12H3109.5°109.4°
H5C18H6109.5°109.5°
H7C17H8109.5°109.5°
H9C16H28109.5°109.4°
H10C15H29109.5°109.5°
H11C14H12109.5°109.5°
H13C11H14109.5°109.5°
H17C9H18109.5°109.5°
H22C1H23109.5°109.4°
H22C1H24109.4°109.5°
H23C1H24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2NC9178.1°85.0°
C1C2NC3129.9°120.0°
C1C2NH21114.6°120.0°
C1C2C3H21113.2°119.9°
C1C2C3C487.1°100.0°
C1C2C3C892.3°80.3°
C1C2NH1956.2°39.0°
C2C1H22H23120.0°120.0°
C2C1H22H24120.0°120.0°
C2C1H23H24120.0°120.0°
C9NC2H19121.9°124.0°
NC9C10O356.7°60.0°
NC9C10H17120.3°120.0°
NC9C10H18120.3°120.0°
C9NC2C352.0°155.0°
NC9C10C11178.8°180.0°
NC9C10H1562.5°60.0°
NC9H17H18119.0°120.0°
C9NC2H2163.6°35.0°
C2NC9C1046.9°180.0°
NC2C3H21115.6°120.0°
NC2C3C444.1°140.0°
NC2C3C8136.5°39.7°
C2NC9H1773.4°60.0°
C2NC9H18167.2°60.0°
NC2C1H22180.0°180.0°
NC2C1H2360.0°60.0°
NC2C1H2460.0°60.0°
O3C10C9C11122.1°120.0°
O3C10C9H15119.2°120.0°
O3C10C11H15122.3°120.0°
O3C10C11P61.5°65.0°
O3C10C11H13178.1°54.9°
O3C10C11H1458.9°175.0°
O3C10C9H17177.0°60.0°
O3C10C9H1863.6°180.0°
C9C10C11H15118.6°120.0°
C9C10C11P179.4°175.0°
C9C10C11H1359.0°65.0°
C9C10C11H1460.2°55.0°
C9C10O3H16154.8°60.0°
C10C9H17H18119.0°120.0°
C10C9NH1975.0°56.1°
C2C3C4C8179.4°179.7°
C2C3C4C5179.6°179.8°
C2C3C8C7179.1°180.0°
C3C2NH19173.9°81.0°
C3C2C1H2248.4°60.0°
C3C2C1H23168.4°180.0°
C3C2C1H2471.6°60.0°
C2C3C8H250.9°0.0°
C2C3C4H270.4°0.0°
C10C11PO153.1°55.0°
C10C11PH13120.4°120.0°
C10C11PH14120.4°120.0°
C10C11PO2168.4°65.0°
C10C11PC1269.6°175.0°
C10C11H13H14118.7°120.1°
C11C10O3H1634.9°59.9°
C11C10C9H1760.9°60.0°
C11C10C9H1858.4°60.0°
O1PC11O2115.3°120.0°
O1PC11C12122.8°120.0°
O1PO2C12121.9°120.0°
O1PC12C13171.1°55.0°
O1PO2H10.0°180.0°
O1PC12H268.4°65.0°
O1PC12H350.5°175.0°
O1PC11H13173.5°175.0°
O1PC11H1467.3°65.0°
C11PO2C12121.2°120.0°
C11PC12C1349.8°175.0°
C11PO2H1117.0°60.0°
C11PC12H2170.4°55.0°
C11PC12H370.8°65.0°
PC11H13H14118.8°120.0°
PC11C10H1560.7°55.0°
C3C4C5H27180.0°179.8°
C4C3C8C71.5°0.2°
C3C4C5CL2178.9°179.8°
C3C4C5C60.0°0.5°
C4C3C2H21159.7°20.0°
C4C3C8H25178.5°179.7°
C8C3C4C50.2°0.5°
C3C8C7H25180.0°180.0°
C3C8C7C62.5°0.0°
C8C3C2H2120.9°159.8°
C3C8C7H26177.5°179.9°
C8C3C4H27179.8°179.7°
C4C5CL2C6178.9°179.7°
C4C5C6C71.1°0.2°
C4C5C6CL1179.8°179.7°
O2PC12C1370.0°65.0°
O2PC12H250.6°174.9°
O2PC12H3169.4°55.0°
O2PC11H1371.2°55.0°
O2PC11H1448.0°175.0°
PC12C13H2120.6°120.0°
PC12C13H3120.6°120.0°
PC12C13C14133.9°165.0°
PC12C13C1898.8°75.0°
C12PO2H1121.9°60.0°
PC12H2H3118.2°120.0°
PC12C13H418.4°45.0°
C12PC11H1350.7°65.0°
C12PC11H14169.9°55.0°
C8C7C6C52.3°0.0°
C8C7C6H26180.0°179.9°
C8C7C6CL1178.6°180.0°
CL2C5C6C7177.9°179.9°
CL2C5C6CL11.3°0.0°
CL2C5C4H271.1°0.0°
C5C6C7CL1179.1°180.0°
C5C6C7H26177.7°179.9°
C6C5C4H27180.0°179.7°
C12C13C14C18127.1°120.0°
C12C13C14H4115.4°120.0°
C12C13C18H4117.1°120.0°
C12C13C14C15171.1°180.0°
C12C13C18C17125.7°180.0°
C13C12H2H3118.3°120.0°
C12C13C18H5113.2°60.0°
C12C13C18H64.5°60.0°
C12C13C14H1150.4°60.0°
C12C13C14H1268.1°60.0°
C6C7C8H25177.5°180.0°
CL1C6C7H261.3°0.1°
C14C13C18H4117.5°120.0°
C13C14C15H11120.8°120.0°
C13C14C15H12120.8°120.0°
C14C13C18C170.2°60.0°
C13C14C15C1649.3°60.0°
C14C13C12H2105.5°75.0°
C14C13C12H313.3°45.0°
C14C13C18H5121.4°180.0°
C14C13C18H6120.9°60.0°
C13C14C15H10170.2°60.0°
C13C14H11H12117.6°120.0°
C13C14C15H2971.5°180.0°
C18C13C14C1544.0°60.0°
C13C18C17H5121.1°120.0°
C13C18C17H6121.1°120.0°
C13C18C17C1639.0°60.0°
C18C13C12H221.8°45.0°
C18C13C12H3140.6°165.0°
C13C18H5H6116.4°119.9°
C13C18C17H7159.9°60.0°
C13C18C17H881.9°180.0°
C18C13C14H1176.8°60.0°
C18C13C14H12164.8°180.0°
C14C15C16H10120.8°120.0°
C14C15C16H29120.8°119.9°
C14C15C16C179.0°60.0°
C15C14C13H473.4°60.0°
C14C15C16H9111.9°180.0°
C14C15H10H29117.4°119.9°
C15C14H11H12117.6°120.0°
C14C15C16H28129.9°60.0°
C18C17C16C1533.9°60.1°
C18C17C16H7120.9°120.0°
C18C17C16H8120.9°119.9°
C17C18C13H4117.3°60.0°
C17C18H5H6116.4°120.1°
C18C17H7H8117.2°120.0°
C18C17C16H9154.8°180.0°
C18C17C16H2886.9°60.0°
C15C16C17H9120.9°120.0°
C15C16C17H28120.8°120.1°
C15C16C17H7154.8°60.0°
C15C16C17H887.0°180.0°
C15C16H9H28117.3°120.0°
C16C15H10H29117.4°120.1°
C16C15C14H1171.4°60.0°
C16C15C14H12170.1°180.0°
C16C17C18H582.1°179.9°
C16C17C18H6160.2°60.0°
C16C17H7H8117.3°120.0°
C17C16H9H28117.3°120.0°
C17C16C15H10129.8°59.9°
C17C16C15H29111.8°180.0°
H2C12C13H4138.9°165.0°
H3C12C13H4102.2°75.0°
H4C13C18H53.9°60.0°
H4C13C18H6121.6°180.0°
H4C13C14H11165.8°180.0°
H4C13C14H1247.3°60.0°
H5C18C17H738.8°59.9°
H5C18C17H8157.0°60.1°
H6C18C17H779.0°180.0°
H6C18C17H839.3°60.0°
H7C17C16H984.3°60.0°
H7C17C16H2834.0°180.0°
H8C17C16H933.9°60.0°
H8C17C16H28152.2°59.9°
H9C16C15H109.0°60.0°
H9C16C15H29127.3°60.0°
H10C15C14H1149.4°180.0°
H10C15C14H1269.1°59.9°
H10C15C16H28109.3°180.0°
H11C14C15H29167.7°60.0°
H12C14C15H2949.3°60.0°
H13C11C10H1559.7°175.0°
H14C11C10H15178.8°64.9°
H15C10O3H1686.7°180.0°
H15C10C9H1757.8°180.0°
H15C10C9H18177.1°60.0°
H17C9NH19164.6°176.0°
H18C9NH1945.3°64.0°
H19NC2H2158.4°159.0°
H21C2C1H2265.1°59.9°
H21C2C1H2354.9°60.0°
H21C2C1H24174.9°179.9°
H22C1H23H24120.0°120.0°
H25C8C7H262.5°0.1°
H28C16C15H299.0°59.9°

226262

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