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765

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N6C14sing1.38Å1.41Å
C14C11doub1.41Å1.39ÅAromatic
C14N5sing1.33Å1.34ÅAromatic
N3C11sing1.35Å1.35ÅAromatic
N3C12doub1.30Å1.34ÅAromatic
C11C10sing1.41Å1.39ÅAromatic
N5C13doub1.32Å1.34ÅAromatic
C12N2sing1.36Å1.33ÅAromatic
C10N2sing1.37Å1.35ÅAromatic
C10N4doub1.33Å1.34ÅAromatic
C13N4sing1.32Å1.35ÅAromatic
N2C9sing1.46Å1.46Å
C9C8sing1.55Å1.41Å
C9O4sing1.45Å1.45Å
C8O3sing1.43Å1.43Å
C8C7sing1.54Å1.43Å
O4C6sing1.44Å1.37Å
C5C6sing1.53Å1.45Å
C5N7sing1.47Å1.47Å
C7C6sing1.55Å1.52Å
C7O2sing1.43Å1.39Å
C15N7sing1.47Å1.43Å
C15C16sing1.53Å1.43Å
N7C16sing1.47Å1.40Å
N7C1sing1.47Å1.49Å
C1C2sing1.53Å1.53Å
C2C3sing1.53Å1.51Å
N1C3sing1.47Å1.46Å
C3C4sing1.51Å1.46Å
O1C4doub1.21Å1.26Å
C4O5sing1.34Å1.23Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
N1H6sing1.01Å1.00Å
N1H7sing1.01Å1.00Å
C5H9sing1.09Å1.10Å
C5H10sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
O2H13sing0.97Å0.95Å
C8H14sing1.09Å1.10Å
O3H15sing0.97Å0.95Å
C9H16sing1.09Å1.10Å
C12H17sing1.08Å1.08Å
C13H18sing1.08Å1.08Å
N6H19sing0.97Å1.00Å
N6H20sing0.97Å1.00Å
C15H21sing1.09Å1.10Å
C15H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
C16H24sing1.09Å1.10Å
O5H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N6C14C11119.6°120.8°
N6C14N5121.5°120.8°
C14N6H19109.5°120.0°
C14N6H20109.5°120.0°
C11C14N5118.9°118.4°
C14C11N3132.8°134.7°
C14C11C10119.8°118.2°
C14N5C13120.4°121.2°
C11N3C12108.4°109.4°
N3C11C10107.5°107.1°
N3C12N2108.5°110.0°
N3C12H17125.8°125.0°
C11C10N2106.1°106.0°
C11C10N4118.7°119.1°
N5C13N4121.7°122.5°
N5C13H18119.2°118.7°
C12N2C10109.5°107.4°
C12N2C9129.0°126.3°
N2C12H17125.7°125.0°
N2C10N4135.2°134.9°
C10N2C9121.5°126.3°
C10N4C13120.5°120.6°
N4C13H18119.1°118.8°
N2C9C8114.6°110.4°
N2C9O4110.9°110.4°
N2C9H16107.9°110.4°
C8C9O4106.6°104.9°
C9C8O3111.4°110.5°
C9C8C7104.8°104.1°
C9C8H14110.2°110.6°
C8C9H16108.5°110.4°
C9O4C6108.9°105.2°
O4C9H16108.0°110.2°
O3C8C7110.2°110.5°
O3C8H14110.0°110.5°
C8O3H15109.5°114.0°
C8C7C6106.9°104.0°
C8C7O2111.0°110.5°
C8C7H12110.4°110.7°
C7C8H14110.0°110.5°
O4C6C5106.6°110.4°
O4C6C7105.2°104.9°
O4C6H11111.4°110.4°
C6C5N7112.3°109.5°
C5C6C7114.1°110.3°
C6C5H9108.8°109.5°
C6C5H10108.8°109.5°
C5C6H11110.2°110.3°
C5N7C15115.0°117.1°
C5N7C16112.9°117.1°
C5N7C1122.4°115.5°
N7C5H9108.8°109.4°
N7C5H10108.8°109.4°
C6C7O2108.1°110.5°
C7C6H11109.2°110.3°
C6C7H12109.2°110.5°
O2C7H12111.1°110.5°
C7O2H13109.5°113.9°
N7C15C1658.7°58.6°
C15N7C1660.7°62.8°
C15N7C1114.8°117.1°
N7C15H21120.2°117.6°
N7C15H22120.2°117.6°
C15C16N760.6°58.6°
C16C15H21120.2°117.6°
C16C15H22120.2°117.7°
C15C16H23119.9°117.6°
C15C16H24119.9°117.7°
C16N7C1115.6°117.2°
N7C16H23119.9°117.6°
N7C16H24119.9°117.7°
N7C1C2121.1°109.5°
N7C1H1106.5°109.5°
N7C1H2106.5°109.5°
C1C2C3117.5°109.5°
C2C1H1106.5°109.5°
C2C1H2106.5°109.5°
C1C2H3107.4°109.4°
C1C2H4107.4°109.4°
C2C3N1111.5°109.5°
C2C3C4105.5°109.5°
C3C2H3107.4°109.5°
C3C2H4107.4°109.5°
C2C3H5108.7°109.4°
N1C3C4112.3°109.5°
N1C3H5109.4°109.5°
C3N1H6109.5°111.0°
C3N1H7109.5°111.0°
C3C4O1119.6°120.0°
C3C4O5120.5°120.0°
C4C3H5109.4°109.5°
O1C4O5120.0°120.0°
C4O5H25109.5°117.0°
H1C1H2109.5°109.4°
H3C2H4109.5°109.5°
H6N1H7109.5°111.0°
H9C5H10109.5°109.5°
H19N6H20109.5°120.1°
H21C15H22109.5°115.7°
H23C16H24109.5°115.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N6C14C11N5179.7°179.9°
N6C14C11N30.0°0.0°
N6C14C11C10179.6°180.0°
N6C14N5C13179.6°180.0°
C14N6H19H20120.0°179.9°
C14C11N3C10179.6°180.0°
C14C11N3C12180.0°179.7°
C11C14N5C130.1°0.1°
C14C11C10N2179.3°180.0°
C14C11C10N40.3°0.0°
C11C14N6H19179.7°0.0°
C11C14N6H2060.2°180.0°
N5C14C11N3179.7°179.9°
N5C14C11C100.2°0.1°
C14N5C13N40.1°0.1°
C14N5C13H18179.9°179.9°
N5C14N6H190.0°179.9°
N5C14N6H20120.0°0.1°
C11N3C12N21.0°0.5°
N3C11C10N20.3°0.0°
N3C11C10N4179.9°180.0°
C11N3C12H17179.0°180.0°
C12N3C11C100.4°0.3°
N3C12N2H17180.0°179.5°
N3C12N2C101.2°0.5°
N3C12N2C9178.6°179.8°
C11C10N2C120.9°0.3°
C11C10N2N4179.5°179.9°
C11C10N4C130.2°0.0°
C11C10N2C9178.5°180.0°
N5C13N4C100.2°0.1°
N5C13N4H18180.0°180.0°
C12N2C10C9177.6°179.7°
C12N2C10N4179.6°179.8°
C12N2C9C845.2°95.3°
C12N2C9O475.6°20.2°
C12N2C9H16166.2°142.4°
N2C10N4C13179.2°180.0°
C10N2C9C8137.7°85.0°
C10N2C9O4101.4°159.5°
C10N2C9H1616.7°37.3°
C10N2C12H17178.7°180.0°
N4C10N2C92.0°0.1°
C10N4C13H18179.8°180.0°
N2C9C8O4123.1°118.9°
N2C9C8H16120.7°122.3°
N2C9O4H16118.1°122.3°
N2C9C8O389.6°98.5°
N2C9C8C7151.1°142.8°
N2C9O4C6149.1°159.2°
N2C9C8H1432.8°24.1°
C9N2C12H171.4°0.3°
C8C9O4H16116.5°118.8°
C9C8O3C7115.9°114.7°
C9C8O3H14122.6°122.7°
C9C8C7H14118.5°118.7°
C8C9O4C623.7°40.3°
C9C8C7C622.4°0.0°
C9C8C7O295.3°118.6°
C9C8C7H12141.1°118.7°
C9C8O3H15180.0°176.1°
O4C9C8O3147.2°142.5°
O4C9C8C728.0°23.9°
C9O4C6C5130.7°159.2°
C9O4C6C79.1°40.4°
C9O4C6H11109.1°78.5°
O4C9C8H1490.3°94.8°
O3C8C7H14121.5°122.6°
O3C8C7C6142.4°118.6°
O3C8C7O224.8°0.0°
O3C8C7H1298.9°122.7°
O3C8C9H1631.1°23.8°
C8C7C6O48.2°23.9°
C8C7C6C5108.3°142.8°
C8C7C6O2119.6°118.6°
C8C7C6H12119.4°118.8°
C8C7O2H12123.3°122.8°
C8C7C6H11127.9°95.0°
C8C7O2H13180.0°65.3°
C7C8O3H1564.1°61.5°
C7C8C9H1688.2°94.8°
O4C6C5C7115.7°115.5°
O4C6C5H11121.0°122.3°
O4C6C5N7153.3°65.3°
O4C6C7H11119.7°118.9°
O4C6C7O2111.3°142.6°
O4C6C5H986.3°174.7°
O4C6C5H1032.9°54.7°
O4C6C7H12127.6°94.9°
C6O4C9H1692.8°78.5°
C6C5N7H9120.4°120.0°
C6C5N7H10120.4°120.0°
C5C6C7H11123.8°122.2°
C5C6C7O2132.1°98.5°
C6C5N7C15143.2°128.3°
C6C5N7C1676.2°56.7°
C6C5N7C169.2°87.6°
C6C5H9H10118.8°120.0°
C5C6C7H1211.1°24.0°
N7C5C6C791.0°179.2°
C5N7C15C16103.3°108.1°
C5N7C15C1150.0°143.6°
C5N7C16C1147.8°143.6°
C5N7C1C2107.0°64.2°
C5N7C1H1131.4°175.7°
C5N7C1H214.6°55.8°
N7C5H9H10118.7°120.0°
N7C5C6H1132.3°57.0°
C5N7C15H215.8°1.1°
C5N7C15H22147.5°144.7°
C5N7C16H232.8°144.7°
C5N7C16H24143.6°1.0°
C6C7O2H12119.8°122.6°
C7C6C5H929.4°59.2°
C7C6C5H10148.6°60.8°
C6C7O2H1363.1°180.0°
C6C7C8H1496.1°118.8°
O2C7C6H118.3°23.7°
O2C7C8H14146.3°122.6°
N7C15C16H21109.1°107.1°
N7C15C16H22109.1°107.1°
C15N7C16C1105.4°108.1°
C15N7C1C2105.4°79.9°
C15N7C1H116.2°40.1°
C15N7C1H2133.0°160.0°
C15N7C5H922.9°8.2°
C15N7C5H1096.3°111.8°
N7C15H21H22145.4°146.4°
N7C15C16H23109.6°107.0°
N7C15C16H24109.6°107.1°
C16C15H21H22145.4°146.5°
C15C16H23H24144.4°146.6°
C16N7C1C237.5°151.6°
C16N7C1H184.1°31.5°
C16N7C1H2159.1°88.4°
C16N7C5H944.2°63.4°
C16N7C5H10163.4°176.6°
N7C16H23H24144.4°146.4°
N7C1C2H1121.6°120.0°
N7C1C2H2121.6°120.1°
N7C1C2C3178.2°174.5°
N7C1H1H2114.7°120.0°
N7C1C2H357.1°54.5°
N7C1C2H460.6°65.4°
C1N7C5H9170.4°152.4°
C1N7C5H1051.2°32.4°
C1N7C15H21144.2°144.6°
C1N7C15H222.5°1.1°
C1N7C16H23145.0°1.0°
C1N7C16H244.3°144.7°
C1C2C3H3121.1°120.0°
C1C2C3H4121.1°120.0°
C1C2C3N142.0°65.0°
C1C2C3C480.1°175.0°
C2C1H1H2114.8°119.9°
C1C2H3H4116.4°119.9°
C1C2C3H5162.7°55.0°
C2C3N1C4118.1°120.0°
C2C3N1H5120.2°120.0°
C2C3C4H5116.7°120.0°
C2C3C4O1107.6°100.0°
C2C3C4O572.7°80.0°
C3C2C1H160.2°54.5°
C3C2C1H256.6°65.4°
C3C2H3H4116.4°120.0°
C2C3N1H6180.0°60.0°
C2C3N1H760.0°63.9°
N1C3C4H5121.6°120.0°
N1C3C4O114.1°20.0°
N1C3C4O5165.6°160.0°
N1C3C2H379.1°175.0°
N1C3C2H4163.2°55.0°
C3N1H6H7120.0°124.0°
C3C4O1O5179.7°180.0°
C4C3C2H3158.7°55.0°
C4C3C2H441.0°65.0°
C4C3N1H661.9°60.0°
C4C3N1H758.1°176.0°
C3C4O5H25179.7°180.0°
O1C4C3H5135.7°140.0°
O1C4O5H250.0°0.0°
O5C4C3H544.0°40.0°
H1C1C2H3178.7°65.5°
H1C1C2H461.0°174.5°
H2C1C2H364.5°174.6°
H2C1C2H4177.8°54.6°
H3C2C3H541.6°65.0°
H4C2C3H576.2°175.0°
H5C3N1H659.7°180.0°
H5C3N1H7179.8°56.0°
H9C5C6H11152.7°63.0°
H10C5C6H1188.1°177.0°
H11C6C7H12112.7°146.2°
H12C7O2H1356.7°57.5°
H12C7C8H1422.6°0.1°
H14C8O3H1557.4°61.2°
H14C8C9H16153.5°146.5°
H21C15C16H230.5°145.9°
H21C15C16H24141.2°0.0°
H22C15C16H23141.2°0.1°
H22C15C16H240.5°145.8°

219869

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