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A1B95

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6N3doub1.32Å1.34ÅAromatic
C6N2sing1.32Å1.33ÅAromatic
N3C7sing1.33Å1.36ÅAromatic
N2C5doub1.33Å1.36ÅAromatic
C8N4sing1.46Å1.44Å
C7N4sing1.38Å1.35Å
C7C9doub1.40Å1.42ÅAromatic
C5C9sing1.41Å1.41ÅAromatic
C5N1sing1.36Å1.35ÅAromatic
C9C10sing1.46Å1.43ÅAromatic
C4N1sing1.47Å1.45Å
C4C2sing1.53Å1.55Å
N1N5sing1.40Å1.36ÅAromatic
C3C2sing1.53Å1.52Å
C10N5doub1.31Å1.33ÅAromatic
C10C11sing1.48Å1.47Å
C2O1sing1.43Å1.43Å
C2C1sing1.53Å1.52Å
C11C20doub1.38Å1.38ÅAromatic
C11C12sing1.41Å1.42ÅAromatic
C20C19sing1.40Å1.41ÅAromatic
C12C13doub1.36Å1.37ÅAromatic
C13C14sing1.41Å1.42ÅAromatic
C19C18doub1.41Å1.41ÅAromatic
C19C14sing1.42Å1.42ÅAromatic
C18C17sing1.36Å1.36ÅAromatic
C14C15doub1.40Å1.42ÅAromatic
C23C21sing1.53Å1.49Å
C23C22sing1.53Å1.49Å
C15C16sing1.38Å1.37ÅAromatic
C17C16doub1.40Å1.40ÅAromatic
C16O2sing1.36Å1.38Å
O2C21sing1.43Å1.42Å
C21C22sing1.53Å1.50Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C6H3sing1.08Å1.08Å
C8H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C13H7sing1.08Å1.08Å
C15H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
C20H10sing1.08Å1.08Å
C21H11sing1.09Å1.10Å
C22H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C12H17sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C23H19sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
C3H22sing1.09Å1.10Å
C3H23sing1.09Å1.10Å
N4H24sing0.97Å1.00Å
O1H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N3C6N2128.2°122.7°
C6N3C7118.9°121.1°
N3C6H3115.9°118.7°
C6N2C5112.6°120.7°
N2C6H3115.9°118.6°
N3C7N4118.6°120.8°
N3C7C9119.1°118.3°
N2C5C9125.4°118.7°
N2C5N1127.8°134.5°
C8N4C7122.7°120.0°
N4C8H4109.5°109.4°
N4C8H5109.5°109.5°
N4C8H6109.5°109.5°
C8N4H24106.1°120.0°
N4C7C9122.3°120.8°
C7N4H24106.1°120.0°
C7C9C5115.8°118.5°
C7C9C10139.1°135.0°
C9C5N1106.8°106.8°
C5C9C10105.1°106.5°
C5N1C4128.5°125.3°
C5N1N5111.0°109.5°
C9C10N5109.0°107.3°
C9C10C11132.1°126.3°
N1C4C2113.3°109.5°
C4N1N5120.4°125.2°
N1C4H1108.5°109.4°
N1C4H2108.5°109.5°
C4C2C3109.6°109.4°
C4C2O1106.6°109.4°
C4C2C1111.1°109.5°
C2C4H1108.5°109.5°
C2C4H2108.5°109.5°
N1N5C10107.9°109.9°
C3C2O1108.6°109.5°
C3C2C1112.7°109.5°
C2C3H21109.5°109.5°
C2C3H22109.5°109.4°
C2C3H23109.5°109.5°
N5C10C11118.6°126.3°
C10C11C20122.3°119.7°
C10C11C12118.9°119.8°
O1C2C1108.1°109.5°
C2O1H25109.5°114.0°
C2C1H14109.5°109.5°
C2C1H15109.4°109.4°
C2C1H16109.5°109.5°
C20C11C12118.7°120.5°
C11C20C19121.7°119.5°
C11C20H10119.2°120.3°
C11C12C13120.7°120.8°
C11C12H17119.6°119.5°
C20C19C18122.3°121.1°
C20C19C14119.4°119.4°
C19C20H10119.1°120.2°
C12C13C14121.3°120.0°
C12C13H7119.4°120.0°
C13C12H17119.6°119.6°
C13C14C19118.1°119.7°
C13C14C15122.9°121.0°
C14C13H7119.3°120.0°
C18C19C14118.2°119.5°
C19C18C17121.7°119.9°
C19C18H18119.1°120.0°
C19C14C15119.0°119.4°
C18C17C16120.3°120.9°
C18C17H9119.9°119.5°
C17C18H18119.2°120.1°
C14C15C16120.7°119.6°
C14C15H8119.7°120.2°
C21C23C2260.7°60.0°
C23C21O2116.7°117.5°
C23C21C2259.7°60.0°
C23C21H11116.2°117.4°
C21C23H19119.9°117.5°
C21C23H20119.9°117.5°
C23C22C2159.7°60.0°
C23C22H12120.1°117.5°
C23C22H13120.1°117.5°
C22C23H19119.9°117.5°
C22C23H20119.9°117.5°
C15C16C17120.1°120.7°
C15C16O2123.9°119.7°
C16C15H8119.7°120.2°
C17C16O2115.9°119.6°
C16C17H9119.8°119.6°
C16O2C21117.7°117.0°
O2C21C22118.1°117.5°
O2C21H11117.6°115.6°
C22C21H11115.9°117.5°
C21C22H12120.1°117.5°
C21C22H13120.1°117.5°
H1C4H2109.5°109.5°
H4C8H5109.5°109.5°
H4C8H6109.4°109.5°
H5C8H6109.5°109.5°
H12C22H13109.4°115.6°
H14C1H15109.4°109.5°
H14C1H16109.5°109.4°
H15C1H16109.5°109.5°
H19C23H20109.5°115.5°
H21C3H22109.5°109.5°
H21C3H23109.5°109.5°
H22C3H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N3C6N2H3180.0°180.0°
N3C6N2C50.4°0.0°
C6N3C7N4178.2°180.0°
C6N3C7C90.5°0.1°
N2C6N3C70.1°0.1°
C6N2C5C91.1°0.0°
C6N2C5N1179.2°180.0°
N3C7N4C81.9°5.9°
N3C7N4C9178.6°179.9°
N3C7C9C51.1°0.1°
N3C7C9C10178.8°179.9°
C7N3C6H3179.9°180.0°
N3C7N4H24119.9°174.1°
N2C5C9C71.5°0.0°
N2C5C9N1179.7°180.0°
N2C5C9C10179.9°180.0°
N2C5N1C40.7°0.3°
N2C5N1N5177.1°180.0°
C5N2C6H3179.6°180.0°
C8N4C7H24121.8°179.9°
C8N4C7C9176.7°174.2°
N4C8H4H5120.0°120.0°
N4C8H4H6120.0°120.0°
N4C8H5H6120.0°120.0°
N4C7C9C5177.5°180.0°
N4C7C9C100.2°0.0°
C7N4C8H4180.0°60.0°
C7N4C8H560.0°60.0°
C7N4C8H660.0°180.0°
C7C9C5C10178.4°180.0°
C7C9C5N1178.8°180.0°
C7C9C10N5175.3°180.0°
C7C9C10C111.5°0.0°
C9C7N4H2461.5°5.8°
C9C5N1C4179.5°179.7°
C9C5N1N53.2°0.0°
C5C9C10N52.6°0.0°
C5C9C10C11176.4°180.0°
N1C5C9C100.4°0.0°
C5N1C4N5176.1°179.7°
C5N1C4C277.2°89.7°
C5N1N5C104.9°0.0°
C5N1C4H1162.2°30.3°
C5N1C4H243.3°150.3°
C9C10N5N14.5°0.0°
C9C10N5C11174.8°180.0°
C9C10C11C2022.5°133.8°
C9C10C11C12153.3°46.9°
N1C4C2H1120.6°120.0°
N1C4C2H2120.6°120.0°
N1C4C2C385.8°55.0°
C4N1N5C10178.4°179.7°
N1C4C2O1156.9°65.0°
N1C4C2C139.3°175.0°
N1C4H1H2118.2°120.0°
C2C4N1N5106.7°90.0°
C4C2C3O1116.0°120.0°
C4C2C3C1124.3°120.0°
C4C2O1C1119.5°120.0°
C2C4H1H2118.2°120.1°
C4C2C1H14180.0°60.0°
C4C2C1H1560.0°180.0°
C4C2C1H1660.0°60.0°
C4C2C3H21180.0°60.0°
C4C2C3H2260.0°180.0°
C4C2C3H2360.0°60.0°
C4C2O1H25180.0°180.0°
N1N5C10C11179.3°180.0°
N5N1C4H113.9°150.0°
N5N1C4H2132.8°30.0°
C3C2O1C1122.5°120.1°
C3C2C4H1153.6°175.0°
C3C2C4H234.7°65.0°
C3C2C1H1456.5°60.0°
C3C2C1H1563.4°60.0°
C3C2C1H16176.5°179.9°
C2C3H21H22120.0°120.0°
C2C3H21H23120.0°120.0°
C2C3H22H23120.0°120.0°
C3C2O1H2562.0°60.0°
N5C10C11C20164.2°46.1°
N5C10C11C1220.0°133.2°
C10C11C20C12175.8°179.3°
C10C11C20C19177.3°180.0°
C10C11C12C13175.2°179.8°
C10C11C20H102.7°0.0°
C10C11C12H174.8°0.2°
O1C2C4H136.3°54.9°
O1C2C4H282.6°175.0°
O1C2C1H1463.4°180.0°
O1C2C1H15176.6°60.0°
O1C2C1H1656.6°60.0°
O1C2C3H2164.0°60.0°
O1C2C3H2256.0°60.0°
O1C2C3H23176.0°180.0°
C1C2C4H181.2°65.0°
C1C2C4H2159.9°55.0°
C2C1H14H15120.0°120.0°
C2C1H14H16120.0°120.0°
C2C1H15H16120.0°120.0°
C1C2C3H2155.7°180.0°
C1C2C3H22175.7°60.0°
C1C2C3H2364.3°59.9°
C1C2O1H2560.5°60.0°
C11C20C19H10180.0°180.0°
C20C11C12C130.7°0.5°
C11C20C19C18179.7°180.0°
C11C20C19C142.2°0.5°
C20C11C12H17179.3°179.5°
C12C11C20C191.5°0.7°
C11C12C13H17180.0°180.0°
C11C12C13C142.3°0.0°
C11C12C13H7177.7°179.8°
C12C11C20H10178.5°179.3°
C20C19C14C130.6°0.0°
C20C19C18C14178.1°179.5°
C20C19C18C17180.0°179.6°
C20C19C14C15178.7°180.0°
C20C19C18H180.0°0.6°
C12C13C14H7180.0°179.8°
C12C13C14C191.7°0.2°
C12C13C14C15179.1°179.8°
C13C14C19C18178.8°179.6°
C13C14C19C15179.3°180.0°
C13C14C15C16180.0°180.0°
C13C14C15H80.0°0.0°
C14C13C12H17177.6°180.0°
C19C18C17H18180.0°179.0°
C18C19C14C150.5°0.5°
C19C18C17C161.9°1.0°
C19C18C17H9178.1°179.5°
C18C19C20H100.3°0.0°
C14C19C18C171.9°0.9°
C19C14C15C160.8°0.1°
C19C14C13H7178.4°180.0°
C19C14C15H8179.2°180.0°
C14C19C20H10177.8°179.5°
C14C19C18H18178.1°179.9°
C18C17C16C150.6°0.5°
C18C17C16H9180.0°179.6°
C18C17C16O2177.5°179.5°
C14C15C16H8180.0°180.0°
C14C15C16C170.8°0.1°
C14C15C16O2178.7°180.0°
C15C14C13H70.9°0.0°
C21C23C22H19109.6°107.5°
C21C23C22H20109.6°107.6°
C23C21O2C16111.9°131.9°
C23C21O2C2268.2°68.6°
C23C21O2H11145.1°145.6°
C23C21C22H11106.5°107.4°
C21C23C22H12109.4°107.5°
C21C23C22H13109.4°107.5°
C21C23H19H20144.4°145.8°
C23C22H12H13144.9°145.7°
C22C23H19H20144.4°145.6°
C15C16C17O2178.1°179.9°
C15C16O2C216.0°4.9°
C15C16C17H9179.4°179.9°
C17C16O2C21172.0°175.0°
C17C16C15H8179.2°180.0°
C16C17C18H18178.1°179.9°
C16O2C21C22179.9°159.5°
O2C16C15H81.3°0.0°
O2C16C17H92.5°0.0°
C16O2C21H1133.1°13.8°
O2C21C22H11147.3°145.1°
O2C21C22H123.2°145.1°
O2C21C22H13144.5°0.0°
O2C21C23H191.2°0.0°
O2C21C23H20141.9°145.0°
C21C22H12H13144.9°145.7°
H4C8H5H6120.0°120.0°
H4C8N4H2458.2°119.9°
H5C8N4H2461.8°120.0°
H6C8N4H24178.2°0.0°
H7C13C12H172.3°0.3°
H9C17C18H181.9°0.5°
H11C21C22H12144.1°0.0°
H11C21C22H132.9°145.1°
H11C21C23H19144.3°145.0°
H11C21C23H203.6°0.1°
H12C22C23H190.2°145.0°
H12C22C23H20141.0°0.1°
H13C22C23H19141.0°0.0°
H13C22C23H200.2°145.0°
H14C1H15H16120.0°120.0°
H21C3H22H23120.0°120.0°

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