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IK0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C9sing1.42Å1.37ÅAromatic
C1C2doub1.39Å1.35ÅAromatic
C1C5sing1.48Å1.48Å
C2C3sing1.40Å1.41ÅAromatic
C3N4doub1.31Å1.30ÅAromatic
C3C16sing1.51Å1.43Å
N4N10sing1.40Å1.39ÅAromatic
C5O6doub1.22Å1.22Å
C5N7sing1.35Å1.31Å
N7C8sing1.46Å1.45Å
C9N10sing1.37Å1.39ÅAromatic
C9N13doub1.32Å1.33ÅAromatic
N10C11sing1.37Å1.37ÅAromatic
C11C12doub1.35Å1.35ÅAromatic
C11C15sing1.51Å1.52Å
C12N13sing1.34Å1.33ÅAromatic
C12C14sing1.51Å1.48Å
C16C17sing1.53Å1.51Å
C17C18sing1.51Å1.48Å
C18N19sing1.34Å1.37ÅAromatic
C18N22doub1.31Å1.27ÅAromatic
N19N20sing1.40Å1.39ÅAromatic
N19C23sing1.46Å1.44Å
N20C21doub1.31Å1.28ÅAromatic
C21N22sing1.34Å1.32ÅAromatic
C21N24sing1.40Å1.38Å
N24C25sing1.49Å1.45Å
N24C28sing1.49Å1.39Å
C25C26sing1.54Å1.48Å
C26C27sing1.54Å1.51Å
C27C28sing1.54Å1.51Å
C15H38sing1.09Å1.10Å
C15H37sing1.09Å1.10Å
C15H39sing1.09Å1.10Å
C16H40sing1.09Å1.10Å
C16H41sing1.09Å1.10Å
C17H43sing1.09Å1.10Å
C17H42sing1.09Å1.10Å
C23H45sing1.09Å1.10Å
C23H44sing1.09Å1.10Å
C23H46sing1.09Å1.10Å
C25H48sing1.09Å1.10Å
C25H47sing1.09Å1.10Å
C26H50sing1.09Å1.10Å
C26H49sing1.09Å1.10Å
C27H52sing1.09Å1.10Å
C27H51sing1.09Å1.10Å
C28H53sing1.09Å1.10Å
C28H54sing1.09Å1.10Å
C2H29sing1.08Å1.08Å
N7H30sing0.97Å1.00Å
C8H32sing1.09Å1.10Å
C8H33sing1.09Å1.10Å
C8H31sing1.09Å1.10Å
C14H35sing1.09Å1.10Å
C14H34sing1.09Å1.10Å
C14H36sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C1C2117.2°118.7°
C9C1C5120.9°120.6°
C1C9N10119.1°119.0°
C1C9N13130.3°132.9°
C2C1C5121.8°120.7°
C1C2C3122.1°119.8°
C1C2H29119.0°120.1°
C1C5O6120.2°120.0°
C1C5N7118.7°120.0°
C2C3N4122.0°121.2°
C2C3C16112.3°119.4°
C3C2H29119.0°120.1°
N4C3C16125.7°119.4°
C3N4N10116.4°121.1°
C3C16C17117.4°109.5°
C3C16H40107.5°109.5°
C3C16H41107.4°109.5°
N4N10C9123.0°120.1°
N4N10C11132.0°132.9°
O6C5N7121.0°120.0°
C5N7C8120.1°120.0°
C5N7H30119.9°120.1°
C8N7H30120.0°119.9°
N7C8H32109.5°109.5°
N7C8H33109.5°109.5°
N7C8H31109.4°109.5°
N10C9N13110.6°108.1°
C9N10C11105.0°107.0°
C9N13C12106.1°109.1°
N10C11C12106.8°107.2°
N10C11C15123.2°126.4°
C12C11C15129.7°126.4°
C11C12N13111.3°108.6°
C11C12C14125.3°125.7°
C11C15H38109.5°109.5°
C11C15H37109.5°109.5°
C11C15H39109.5°109.5°
N13C12C14123.3°125.7°
C12C14H35109.5°109.5°
C12C14H34109.5°109.5°
C12C14H36109.5°109.5°
C16C17C18112.0°109.5°
C17C16H40107.4°109.5°
C17C16H41107.4°109.5°
C16C17H43108.8°109.4°
C16C17H42108.8°109.4°
C17C18N19131.6°125.9°
C17C18N22119.4°125.9°
C18C17H43108.8°109.5°
C18C17H42108.8°109.5°
N19C18N22108.8°108.2°
C18N19N20105.1°106.5°
C18N19C23123.7°126.7°
C18N22C21108.6°109.7°
N20N19C23131.1°126.8°
N19N20C21106.0°106.7°
N19C23H45109.5°109.5°
N19C23H44109.5°109.4°
N19C23H46109.5°109.4°
N20C21N22111.3°108.8°
N20C21N24121.7°125.6°
N22C21N24125.8°125.6°
C21N24C25113.1°111.0°
C21N24C28125.1°111.0°
C25N24C28109.2°104.2°
N24C25C26103.6°104.6°
N24C25H48110.9°110.5°
N24C25H47110.9°110.5°
N24C28C27107.9°104.6°
N24C28H53109.9°110.4°
N24C28H54109.9°110.5°
C25C26C27105.0°105.1°
C26C25H48110.9°110.4°
C26C25H47110.9°110.4°
C25C26H50110.6°110.3°
C25C26H49110.6°110.3°
C26C27C28103.8°105.1°
C27C26H50110.6°110.3°
C27C26H49110.6°110.4°
C26C27H52110.9°110.3°
C26C27H51110.9°110.3°
C28C27H52110.9°110.4°
C28C27H51110.9°110.3°
C27C28H53109.9°110.4°
C27C28H54109.9°110.4°
H38C15H37109.5°109.4°
H38C15H39109.5°109.4°
H37C15H39109.5°109.5°
H40C16H41109.5°109.5°
H43C17H42109.5°109.5°
H45C23H44109.4°109.5°
H45C23H46109.5°109.4°
H44C23H46109.5°109.5°
H48C25H47109.5°110.4°
H50C26H49109.5°110.4°
H52C27H51109.4°110.4°
H53C28H54109.5°110.4°
H32C8H33109.5°109.4°
H32C8H31109.5°109.5°
H33C8H31109.5°109.4°
H35C14H34109.5°109.4°
H35C14H36109.4°109.5°
H34C14H36109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C1C2C5178.0°180.0°
C9C1C2C32.5°0.0°
C1C9N10N43.2°0.1°
C9C1C5O6178.2°180.0°
C9C1C5N70.7°0.1°
C1C9N10N13178.3°179.7°
C1C9N10C11175.5°180.0°
C1C9N13C12177.9°179.9°
C9C1C2H29177.5°180.0°
C1C2C3H29180.0°180.0°
C1C2C3N42.0°0.0°
C1C2C3C16178.3°180.0°
C2C1C5O63.8°0.0°
C2C1C5N7178.6°179.9°
C2C1C9N100.0°0.0°
C2C1C9N13178.0°179.6°
C5C1C2C3179.5°180.0°
C1C5O6N7177.5°179.9°
C1C5N7C8177.0°180.0°
C5C1C9N10178.0°179.9°
C5C1C9N130.1°0.3°
C5C1C2H290.5°0.0°
C1C5N7H303.0°0.1°
C2C3N4C16179.6°180.0°
C2C3N4N101.1°0.0°
C2C3C16C17106.2°180.0°
C2C3C16H40132.6°60.0°
C2C3C16H4115.0°60.0°
C3N4N10C93.7°0.0°
C3N4N10C11174.6°179.9°
N4C3C16C1773.5°0.0°
N4C3C16H4047.7°120.0°
N4C3C16H41165.4°120.1°
N4C3C2H29178.0°180.0°
C16C3N4N10178.6°180.0°
C3C16C17H40121.2°120.0°
C3C16C17H41121.1°120.0°
C3C16C17C18167.1°180.0°
C3C16H40H41116.4°120.0°
C3C16C17H4346.7°60.0°
C3C16C17H4272.5°60.0°
C16C3C2H291.7°0.0°
N4N10C9C11178.7°179.9°
N4N10C9N13178.5°179.7°
N4N10C11C12177.1°180.0°
N4N10C11C153.6°0.2°
O6C5N7C80.5°0.1°
O6C5N7H30179.5°180.0°
C5N7C8H30180.0°179.9°
C5N7C8H32180.0°59.9°
C5N7C8H3360.0°60.1°
C5N7C8H3160.0°180.0°
N7C8H32H33120.0°120.0°
N7C8H32H31120.0°120.1°
N7C8H33H31120.0°120.0°
C9N10C11C124.3°0.1°
C9N10C11C15177.9°179.7°
N10C9N13C120.1°0.5°
N13C9N10C112.8°0.3°
C9N13C12C112.8°0.4°
C9N13C12C14179.3°179.6°
N10C11C12C15173.0°179.8°
N10C11C12N134.6°0.2°
N10C11C12C14178.9°179.8°
N10C11C15H3893.6°89.8°
N10C11C15H37146.4°30.2°
N10C11C15H3926.5°150.2°
C11C12N13C14176.6°180.0°
C12C11C15H3894.5°90.0°
C12C11C15H3725.6°150.0°
C12C11C15H39145.5°30.0°
C11C12C14H35176.0°90.1°
C11C12C14H3464.0°150.0°
C11C12C14H3656.1°30.0°
C15C11C12N13177.6°180.0°
C15C11C12C145.9°0.0°
C11C15H38H37120.0°120.0°
C11C15H38H39120.0°120.0°
C11C15H37H39120.0°120.0°
N13C12C14H350.0°90.0°
N13C12C14H34120.0°30.0°
N13C12C14H36120.0°150.0°
C12C14H35H34120.0°120.0°
C12C14H35H36120.0°120.0°
C12C14H34H36120.0°120.0°
C16C17C18H43120.4°120.0°
C16C17C18H42120.4°120.0°
C16C17C18N19111.0°90.0°
C16C17C18N2274.6°90.3°
C17C16H40H41116.4°120.0°
C16C17H43H42118.8°119.9°
C17C18N19N22174.9°179.8°
C17C18N19N20177.0°180.0°
C17C18N19C231.4°0.1°
C17C18N22C21175.5°179.8°
C18C17C16H4071.7°60.0°
C18C17C16H4146.0°60.0°
C18C17H43H42118.8°120.1°
C18N19N20C23178.2°179.9°
C18N19N20C213.6°0.0°
N19C18N22C210.1°0.4°
N19C18C17H439.3°30.0°
N19C18C17H42128.6°150.0°
C18N19C23H45177.9°89.9°
C18N19C23H4462.1°150.0°
C18N19C23H4657.9°30.0°
N22C18N19N202.1°0.2°
N22C18N19C23176.2°179.7°
C18N22C21N202.6°0.4°
C18N22C21N24170.2°180.0°
N22C18C17H43165.1°149.7°
N22C18C17H4245.8°29.7°
N19N20C21N223.8°0.3°
N19N20C21N24172.0°179.9°
N20N19C23H450.0°90.0°
N20N19C23H44120.0°30.1°
N20N19C23H46120.0°150.1°
C23N19N20C21174.6°179.9°
N19C23H45H44120.0°120.0°
N19C23H45H46120.0°120.0°
N19C23H44H46120.0°120.0°
N20C21N22N24167.6°179.6°
N20C21N24C2521.6°0.4°
N20C21N24C28159.0°115.0°
N22C21N24C25172.0°180.0°
N22C21N24C2834.6°64.6°
C21N24C25C28144.1°119.5°
C21N24C25C26176.0°159.0°
C21N24C28C27158.4°159.1°
C21N24C25H4864.9°40.2°
C21N24C25H4757.0°82.2°
C21N24C28H5338.6°82.2°
C21N24C28H5481.9°40.2°
N24C25C26H48119.1°118.8°
N24C25C26H47119.0°118.8°
N24C25C26C2730.9°23.8°
C25N24C28C2719.7°39.6°
N24C25H48H47122.7°122.5°
N24C25C26H5088.4°95.0°
N24C25C26H49150.2°142.8°
C25N24C28H53100.1°158.3°
C25N24C28H54139.4°79.3°
C28N24C25C2632.0°39.5°
N24C28C27C260.4°23.9°
N24C28C27H53119.8°118.7°
N24C28C27H54119.7°118.9°
C28N24C25H48151.0°79.3°
C28N24C25H4787.0°158.3°
N24C28C27H52119.5°95.0°
N24C28C27H51118.7°142.8°
N24C28H53H54120.7°122.5°
C25C26C27H50119.3°118.9°
C25C26C27H49119.3°118.9°
C25C26C27C2819.5°0.1°
C26C25H48H47122.7°122.4°
C25C26H50H49122.1°122.1°
C25C26C27H52138.6°118.9°
C25C26C27H5199.6°118.9°
C26C27C28H52119.1°118.9°
C26C27C28H51119.1°118.8°
C27C26C25H48149.9°95.0°
C27C26C25H4788.1°142.7°
C27C26H50H49122.0°122.2°
C26C27H52H51122.6°122.2°
C26C27C28H53120.2°142.6°
C26C27C28H54119.3°95.0°
C28C27C26H5099.8°118.9°
C28C27C26H49138.8°118.9°
C28C27H52H51122.6°122.2°
C27C28H53H54120.7°122.4°
H38C15H37H39120.0°119.9°
H40C16C17H43167.9°60.0°
H40C16C17H4248.6°180.0°
H41C16C17H4374.4°180.0°
H41C16C17H42166.3°60.0°
H45C23H44H46120.0°120.0°
H48C25C26H5030.6°146.2°
H48C25C26H4990.8°24.0°
H47C25C26H50152.6°23.8°
H47C25C26H4931.1°98.3°
H50C26C27H5219.3°0.1°
H50C26C27H51141.1°122.3°
H49C26C27H52102.1°122.2°
H49C26C27H5119.6°0.0°
H52C27C28H53120.7°23.7°
H52C27C28H540.2°146.1°
H51C27C28H531.1°98.5°
H51C27C28H54121.6°23.8°
H30N7C8H320.0°119.9°
H30N7C8H33120.0°120.1°
H30N7C8H31120.0°0.1°
H32C8H33H31120.0°119.9°
H35C14H34H36120.0°120.0°

224931

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