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979

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N6doub1.35Å1.34ÅAromatic
C1N2sing1.35Å1.33ÅAromatic
C1H1sing1.08Å38.39Å
N2C3doub1.35Å1.38ÅAromatic
C3C4sing1.39Å1.41ÅAromatic
C3O8sing1.36Å1.36ÅAromatic
C4C5doub1.40Å1.45ÅAromatic
C4C10sing1.42Å1.40ÅAromatic
C5N6sing1.36Å1.35ÅAromatic
C5N11sing1.39Å1.37Å
O8C9sing1.36Å1.37ÅAromatic
C9C10doub1.38Å1.53ÅAromatic
C9C44sing1.44Å1.50ÅAromatic
C10C33sing1.44Å1.51ÅAromatic
N11C12sing1.44Å1.45Å
N11HN11sing1.02Å1.00Å
C12C13sing1.52Å1.54Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13N16sing1.46Å1.50Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
N16C7sing1.47Å1.53Å
N16C2sing1.47Å1.52Å
C33C38doub1.40Å1.45ÅAromatic
C33C34sing1.40Å1.45ÅAromatic
C34C35doub1.40Å1.43ÅAromatic
C34H34sing1.09Å1.08Å
C35C36sing1.39Å1.45ÅAromatic
C35H35sing1.09Å1.08Å
C36C37doub1.39Å1.45ÅAromatic
C36H36sing1.09Å1.08Å
C37C38sing1.40Å1.42ÅAromatic
C37H37sing1.09Å1.08Å
C38H38sing1.09Å1.08Å
C44C45doub1.40Å1.45ÅAromatic
C44C49sing1.40Å1.46ÅAromatic
C45C46sing1.39Å1.43ÅAromatic
C45H45sing1.09Å1.08Å
C46C47doub1.40Å1.45ÅAromatic
C46H46sing1.09Å1.08Å
C47C48sing1.40Å1.43ÅAromatic
C47H47sing1.09Å1.08Å
C48C49doub1.39Å1.43ÅAromatic
C48H48sing1.09Å1.08Å
C49H49sing1.09Å1.08Å
C2C11sing1.53Å1.59Å
C2H21sing1.10Å1.10Å
C2H22sing1.10Å1.10Å
C7C15sing1.53Å1.56Å
C7H2sing1.10Å1.10Å
C7H7sing1.10Å1.10Å
C11N1sing1.46Å9.62Å
C11H111sing1.10Å1.10Å
C11H112sing1.10Å1.10Å
C15N1sing1.46Å8.84Å
C15H3sing1.10Å1.10Å
C15H15sing1.10Å1.10Å
N1HN1sing1.02Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N6C1N2118.8°128.7°
N6C1H1108.3°115.6°
C1N6C5123.2°118.1°
N2C1H1130.4°115.6°
C1N2C3121.7°111.1°
N2C3C4122.0°126.5°
N2C3O8126.7°123.6°
C4C3O8111.2°109.8°
C3C4C5113.8°117.4°
C3C4C10110.4°106.3°
C3O8C9106.7°106.9°
C5C4C10135.8°136.4°
C4C5N6120.6°118.2°
C4C5N11124.8°121.6°
C4C10C9101.1°106.2°
C4C10C33128.6°130.5°
N6C5N11114.6°120.2°
C5N11C12119.5°123.9°
C5N11HN11106.3°117.7°
O8C9C10110.5°110.8°
O8C9C44120.8°114.6°
C10C9C44128.6°134.6°
C9C10C33130.3°123.4°
C9C44C45118.8°120.2°
C9C44C49121.8°120.1°
C10C33C38119.4°120.0°
C10C33C34120.1°120.0°
C12N11HN11106.2°118.4°
N11C12C13110.1°112.0°
N11C12H121109.3°107.1°
N11C12H122109.1°107.5°
C13C12H121109.3°110.2°
C13C12H122109.2°111.4°
C12C13N16115.2°112.1°
C12C13H131107.6°111.4°
C12C13H132106.3°110.1°
H121C12H122109.9°108.5°
N16C13H131107.6°107.4°
N16C13H132106.3°107.1°
C13N16C7112.7°110.8°
C13N16C2109.9°110.8°
H131C13H132114.1°108.6°
C7N16C2112.3°110.6°
N16C7C15115.2°110.7°
N16C7H2107.6°109.6°
N16C7H7106.3°110.7°
N16C2C11110.9°110.8°
N16C2H21109.0°110.7°
N16C2H22108.6°109.6°
C38C33C34120.3°119.9°
C33C38C37120.1°120.0°
C33C38H38120.0°120.8°
C33C34C35119.7°120.0°
C33C34H34120.1°120.9°
C35C34H34120.2°119.1°
C34C35C36119.2°120.0°
C34C35H35120.4°119.9°
C36C35H35120.4°120.1°
C35C36C37121.5°120.0°
C35C36H36119.3°120.0°
C37C36H36119.3°120.0°
C36C37C38119.1°120.0°
C36C37H37120.4°120.0°
C38C37H37120.4°120.0°
C37C38H38119.9°119.1°
C45C44C49119.4°119.7°
C44C45C46119.4°120.2°
C44C45H45120.3°120.7°
C44C49C48121.4°120.1°
C44C49H49119.3°120.8°
C46C45H45120.3°119.1°
C45C46C47119.8°120.0°
C45C46H46120.1°120.0°
C47C46H46120.1°120.0°
C46C47C48121.5°120.0°
C46C47H47119.2°120.0°
C48C47H47119.3°120.0°
C47C48C49118.5°120.0°
C47C48H48120.7°119.9°
C49C48H48120.7°120.1°
C48C49H49119.3°119.1°
C11C2H21109.0°109.7°
C11C2H22108.7°108.6°
C2C11N160.9°111.7°
C2C11H111130.4°110.2°
C2C11H112135.5°109.2°
H21C2H22110.6°107.4°
C15C7H2107.6°108.6°
C15C7H7106.3°109.8°
C7C15N149.0°111.7°
C7C15H3137.7°109.2°
C7C15H15142.0°110.3°
H2C7H7114.1°107.4°
N1C11H111130.4°109.9°
N1C11H112135.5°108.8°
C11N1C1514.7°110.1°
C11N1HN1165.5°109.5°
H111C11H11275.4°106.9°
N1C15H3137.6°108.7°
N1C15H15142.0°109.9°
C15N1HN1165.5°109.6°
H3C15H1565.7°106.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N6C1N2H1159.7°180.0°
N6C1N2C32.9°0.0°
C1N6C5C40.9°0.0°
C1N6C5N11179.6°179.9°
C1N2C3C42.5°0.0°
C1N2C3O8179.6°180.0°
N2C1N6C52.1°0.0°
H1C1N2C3156.8°179.9°
H1C1N6C5161.8°179.9°
N2C3C4O8177.5°180.0°
N2C3C4C51.2°0.0°
N2C3C4C10178.4°180.0°
N2C3O8C9179.3°180.0°
C3C4C5C10179.4°180.0°
C3C4C5N60.4°0.0°
C3C4C5N11179.9°179.9°
C4C3O8C91.9°0.0°
C3C4C10C90.5°0.0°
C3C4C10C33178.3°179.9°
O8C3C4C5178.7°180.0°
O8C3C4C100.9°0.0°
C3O8C9C102.2°0.0°
C3O8C9C44179.8°179.9°
C4C5N6N11179.5°179.9°
C5C4C10C9179.9°180.0°
C5C4C10C332.2°0.1°
C4C5N11C1290.4°180.0°
C4C5N11HN11149.6°0.0°
C10C4C5N6179.0°180.0°
C10C4C5N110.4°0.1°
C4C10C9O81.6°0.0°
C4C10C9C33177.8°179.9°
C4C10C9C44179.0°179.9°
C4C10C33C3860.9°90.0°
C4C10C33C34122.8°90.0°
N6C5N11C1290.2°0.1°
N6C5N11HN1129.8°179.9°
C5N11C12HN11120.0°180.0°
C5N11C12C13164.2°179.1°
C5N11C12H12144.2°60.0°
C5N11C12H12276.0°56.4°
O8C9C10C44177.3°179.9°
O8C9C10C33179.5°179.9°
O8C9C44C4521.9°89.9°
O8C9C44C49159.0°90.0°
C9C10C33C38121.8°89.9°
C9C10C33C3454.5°90.1°
C10C9C44C45161.1°90.0°
C10C9C44C4918.1°90.1°
C44C9C10C333.2°0.0°
C9C44C45C49179.2°180.0°
C9C44C45C46179.5°180.0°
C9C44C45H450.5°0.1°
C9C44C49C48179.4°180.0°
C9C44C49H490.6°0.0°
C10C33C38C34176.3°180.0°
C10C33C34C35176.7°179.9°
C10C33C34H343.3°0.1°
C10C33C38C37177.1°179.9°
C10C33C38H382.9°0.0°
N11C12C13H121120.0°119.1°
N11C12C13H122119.8°120.4°
N11C12H121H122119.7°115.8°
N11C12C13N16176.0°179.1°
N11C12C13H13164.0°60.5°
N11C12C13H13258.6°60.0°
HN11N11C12C1375.8°0.9°
HN11N11C12H121164.2°120.0°
HN11N11C12H12244.0°123.6°
C13C12H121H122119.8°122.2°
C12C13N16H131120.0°122.7°
C12C13N16H132117.4°120.9°
C12C13H131H132117.6°121.4°
C12C13N16C753.6°59.5°
C12C13N16C2179.7°177.3°
H121C12C13N1656.0°60.0°
H121C12C13H131176.0°179.6°
H121C12C13H13261.5°59.1°
H122C12C13N1664.3°60.4°
H122C12C13H13155.8°59.9°
H122C12C13H132178.3°179.5°
N16C13H131H132117.7°115.4°
C13N16C7C2124.9°123.3°
C13N16C2C1174.5°179.6°
C13N16C2H21165.5°57.6°
C13N16C2H2244.9°60.6°
C13N16C7C1581.3°179.6°
C13N16C7H238.7°60.6°
C13N16C7H7161.3°57.6°
H131C13N16C7173.5°63.1°
H131C13N16C260.3°60.0°
H132C13N16C763.9°179.6°
H132C13N16C262.3°56.4°
C7N16C2C1151.9°56.3°
C7N16C2H2168.1°65.7°
C7N16C2H22171.3°176.1°
N16C7C15H2120.0°120.4°
N16C7C15H7117.4°122.5°
N16C7H2H7117.6°120.3°
N16C7C15N186.9°56.6°
N16C7C15H3153.2°176.9°
N16C7C15H1538.8°65.9°
N16C2C11H21120.0°122.5°
N16C2C11H22119.4°120.4°
N16C2H21H22119.4°119.6°
C2N16C7C1543.5°56.3°
C2N16C7H2163.6°176.1°
C2N16C7H773.9°65.7°
N16C2C11N128.6°56.6°
N16C2C11H11191.4°65.9°
N16C2C11H112155.3°176.9°
C38C33C34C350.4°0.0°
C38C33C34H34179.6°179.9°
C33C38C37C361.5°0.1°
C33C38C37H38180.0°179.9°
C33C38C37H37178.5°179.9°
C33C34C35H34180.0°179.9°
C33C34C35C360.7°0.1°
C33C34C35H35179.3°179.9°
C34C33C38C370.8°0.0°
C34C33C38H38179.1°180.0°
C34C35C36H35180.0°179.9°
C34C35C36C371.5°0.1°
C34C35C36H36178.5°180.0°
H34C34C35C36179.3°179.9°
H34C34C35H350.7°0.0°
C35C36C37H36180.0°180.0°
C35C36C37C381.9°0.1°
C35C36C37H37178.1°179.9°
H35C35C36C37178.6°180.0°
H35C35C36H361.5°0.1°
C36C37C38H37180.0°179.9°
C36C37C38H38178.4°180.0°
H36C36C37C38178.1°180.0°
H36C36C37H371.9°0.1°
H37C37C38H381.5°0.0°
C44C45C46H45180.0°179.9°
C44C45C46C470.3°0.1°
C44C45C46H46179.7°179.9°
C45C44C49C480.3°0.0°
C45C44C49H49179.7°179.9°
C49C44C45C460.3°0.0°
C49C44C45H45179.7°180.0°
C44C49C48C470.3°0.0°
C44C49C48H49180.0°179.9°
C44C49C48H48179.7°179.9°
C45C46C47H46180.0°180.0°
C45C46C47C480.3°0.1°
C45C46C47H47179.7°180.0°
H45C45C46C47179.7°180.0°
H45C45C46H460.3°0.0°
C46C47C48H47180.0°179.9°
C46C47C48C490.3°0.1°
C46C47C48H48179.7°180.0°
H46C46C47C48179.7°179.9°
H46C46C47H470.3°0.0°
C47C48C49H48180.0°179.9°
C47C48C49H49179.8°179.9°
H47C47C48C49179.7°179.9°
H47C47C48H480.3°0.1°
H48C48C49H490.2°0.0°
C11C2H21H22119.4°117.9°
C2C11N1H111120.0°122.6°
C2C11N1H112126.8°120.6°
C2C11H111H112138.3°118.5°
C2C11N1C15106.0°55.9°
C2C11N1HN1133.9°176.4°
H21C2C11N1148.6°65.9°
H21C2C11H11128.6°171.6°
H21C2C11H11284.7°54.5°
H22C2C11N190.8°177.0°
H22C2C11H111149.2°54.5°
H22C2C11H11236.0°62.7°
C15C7H2H7117.7°118.7°
C7C15N1C1181.4°55.9°
C7C15N1H3120.0°120.6°
C7C15N1H15125.6°122.7°
C7C15H3H15142.0°119.3°
C7C15N1HN1158.7°176.4°
H2C7C15N133.1°177.0°
H2C7C15H386.8°62.7°
H2C7C15H15158.8°54.5°
H7C7C15N1155.7°65.9°
H7C7C15H335.8°54.4°
H7C7C15H1578.6°171.6°
N1C11H111H112138.3°117.9°
C11N1C15HN1119.9°120.5°
C11N1C15H3158.6°176.4°
C11N1C15H1544.2°66.9°
H111C11N1C1514.0°66.8°
H111C11N1HN1106.0°53.8°
H112C11N1C15127.2°176.4°
H112C11N1HN17.1°63.0°
N1C15H3H15142.0°118.6°
H3C15N1HN138.7°63.0°
H15C15N1HN175.7°53.7°

223532

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