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7A6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N6C6sing1.39Å1.36Å
C6N1doub1.33Å1.35ÅAromatic
C6C5sing1.40Å1.47ÅAromatic
N1C2sing1.32Å1.35ÅAromatic
N7C5sing1.37Å1.37ÅAromatic
N7C8sing1.36Å1.37ÅAromatic
C5C4doub1.41Å1.46ÅAromatic
C2N3doub1.32Å1.34ÅAromatic
C8C9doub1.35Å1.39ÅAromatic
C4N3sing1.34Å1.35ÅAromatic
C4C9sing1.46Å1.46ÅAromatic
C9C1'sing1.51Å1.50Å
C1'N4'sing1.49Å1.49Å
C1'C2'sing1.55Å1.54Å
S5'C5'sing1.81Å1.77Å
S5'CSsing1.81Å1.74Å
N4'C4'sing1.48Å1.49Å
C2'O2'sing1.43Å1.43Å
C2'C3'sing1.55Å1.54Å
C5'C4'sing1.53Å1.53Å
CSC1sing1.53Å1.51Å
C4'C3'sing1.54Å1.52Å
C3'O3'sing1.43Å1.44Å
C1C3sing1.53Å1.50Å
O3'H1sing0.97Å0.95Å
C3'H2sing1.09Å1.10Å
C4'H3sing1.09Å1.10Å
C5'H4sing1.09Å1.10Å
C5'H5sing1.09Å1.10Å
CSH6sing1.09Å1.10Å
CSH7sing1.09Å1.10Å
C2'H8sing1.09Å1.10Å
O2'H9sing0.97Å0.95Å
C1'H10sing1.09Å1.10Å
N4'H11sing1.01Å1.00Å
N7H13sing0.97Å1.00Å
C8H14sing1.08Å1.08Å
C2H15sing1.08Å1.08Å
N6H16sing0.97Å1.00Å
N6H17sing0.97Å1.00Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
C3H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
C3H22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N6C6N1121.3°120.7°
N6C6C5121.6°120.7°
C6N6H16109.5°120.0°
C6N6H17109.5°120.0°
N1C6C5117.1°118.5°
C6N1C2123.7°121.4°
C6C5N7136.1°134.6°
C6C5C4115.0°118.1°
N1C2N3123.0°122.3°
N1C2H15118.5°118.9°
C5N7C8109.9°109.9°
N7C5C4108.8°107.3°
C5N7H13125.1°125.1°
N7C8C9109.6°109.8°
C8N7H13125.1°125.0°
N7C8H14125.2°125.1°
C5C4N3123.3°119.2°
C5C4C9103.7°106.0°
C2N3C4117.9°120.4°
N3C2H15118.5°118.8°
C8C9C4107.9°107.1°
C8C9C1'123.9°126.4°
C9C8H14125.2°125.1°
N3C4C9132.9°134.9°
C4C9C1'128.2°126.5°
C9C1'N4'112.2°110.7°
C9C1'C2'117.9°110.7°
C9C1'H10107.7°110.7°
N4'C1'C2'103.5°103.2°
C1'N4'C4'107.9°105.8°
N4'C1'H10107.8°110.6°
C1'N4'H11109.9°111.0°
C1'C2'O2'110.6°110.7°
C1'C2'C3'107.4°102.9°
C1'C2'H8107.9°110.9°
C2'C1'H10107.3°110.6°
C5'S5'CS107.1°103.0°
S5'C5'C4'111.3°109.5°
S5'C5'H4109.0°109.5°
S5'C5'H5109.0°109.5°
S5'CSC1108.7°109.5°
S5'CSH6109.6°109.5°
S5'CSH7109.7°109.5°
N4'C4'C5'112.2°110.1°
N4'C4'C3'103.8°107.1°
N4'C4'H3110.4°109.9°
C4'N4'H11109.9°110.9°
O2'C2'C3'113.7°110.7°
O2'C2'H8109.2°110.6°
C2'O2'H9109.5°114.0°
C2'C3'C4'105.4°105.3°
C2'C3'O3'112.9°110.3°
C2'C3'H2109.2°110.3°
C3'C2'H8107.9°110.7°
C5'C4'C3'110.4°110.0°
C5'C4'H3109.8°109.9°
C4'C5'H4109.0°109.5°
C4'C5'H5109.0°109.5°
CSC1C3107.3°109.5°
C1CSH6109.7°109.5°
C1CSH7109.7°109.5°
CSC1H18110.0°109.5°
CSC1H19110.0°109.5°
C4'C3'O3'109.0°110.3°
C4'C3'H2109.5°110.3°
C3'C4'H3110.1°109.9°
C3'O3'H1109.5°114.1°
O3'C3'H2110.6°110.2°
C3C1H18110.0°109.4°
C3C1H19110.0°109.5°
C1C3H20109.5°109.5°
C1C3H21109.4°109.4°
C1C3H22109.4°109.5°
H4C5'H5109.5°109.5°
H6CSH7109.5°109.5°
H16N6H17109.5°120.0°
H18C1H19109.4°109.4°
H20C3H21109.5°109.5°
H20C3H22109.5°109.5°
H21C3H22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N6C6N1C5180.0°179.9°
N6C6N1C2179.7°179.9°
N6C6C5N70.1°0.0°
N6C6C5C4179.8°180.0°
C6N6H16H17120.0°179.9°
N1C6C5N7179.9°180.0°
N1C6C5C40.2°0.1°
C6N1C2N30.3°0.1°
C6N1C2H15179.7°180.0°
N1C6N6H160.0°0.0°
N1C6N6H17120.0°180.0°
C5C6N1C20.3°0.1°
C6C5N7C4179.9°179.9°
C6C5N7C8179.7°179.8°
C6C5C4N30.0°0.1°
C6C5C4C9180.0°180.0°
C6C5N7H130.4°0.0°
C5C6N6H16180.0°179.9°
C5C6N6H1760.0°0.0°
N1C2N3H15180.0°180.0°
N1C2N3C40.2°0.0°
C5N7C8H13180.0°179.8°
C5N7C8C90.6°0.4°
N7C5C4N3180.0°180.0°
N7C5C4C90.1°0.0°
C5N7C8H14179.4°180.0°
C8N7C5C40.4°0.3°
N7C8C9H14180.0°179.6°
N7C8C9C40.6°0.4°
N7C8C9C1'179.3°179.8°
C5C4N3C20.1°0.0°
C5C4C9C80.3°0.2°
C5C4N3C9180.0°179.9°
C5C4C9C1'179.6°180.0°
C4C5N7H13179.5°179.9°
C2N3C4C9180.0°180.0°
C8C9C4N3179.6°179.7°
C8C9C4C1'179.9°179.8°
C8C9C1'N4'49.9°23.3°
C8C9C1'C2'169.9°90.6°
C8C9C1'H1068.6°146.3°
C9C8N7H13179.3°179.8°
N3C4C9C1'0.5°0.1°
C4N3C2H15179.8°180.0°
C4C9C1'N4'130.2°156.5°
C4C9C1'C2'10.2°89.7°
C4C9C1'H10111.3°33.4°
C4C9C8H14179.4°180.0°
C9C1'N4'C2'128.1°118.5°
C9C1'N4'H10118.4°123.1°
C9C1'C2'H10121.7°123.2°
C9C1'N4'C4'98.1°157.6°
C9C1'C2'O2'123.3°85.8°
C9C1'C2'C3'112.1°155.8°
C9C1'C2'H84.0°37.4°
C9C1'N4'H1121.6°37.2°
C1'C9C8H140.7°0.2°
N4'C1'C2'H10113.9°118.3°
C1'N4'C4'H11119.8°120.5°
N4'C1'C2'O2'112.3°155.7°
N4'C1'C2'C3'12.4°37.4°
C1'N4'C4'C5'83.2°144.7°
C1'N4'C4'C3'36.0°25.2°
C1'N4'C4'H3154.0°94.2°
N4'C1'C2'H8128.4°81.1°
C2'C1'N4'C4'30.0°39.1°
C1'C2'O2'C3'121.0°113.5°
C1'C2'O2'H8118.5°123.4°
C1'C2'C3'H8116.0°118.5°
C1'C2'C3'C4'8.8°22.0°
C1'C2'C3'O3'110.0°97.0°
C1'C2'C3'H2126.4°141.0°
C1'C2'O2'H9180.0°174.9°
C2'C1'N4'H11149.7°81.3°
S5'C5'C4'N4'45.8°67.3°
S5'C5'C4'H4120.3°120.0°
S5'C5'C4'H5120.3°120.0°
C5'S5'CSC174.7°180.0°
S5'C5'C4'C3'161.1°175.0°
S5'C5'C4'H377.4°53.9°
S5'C5'H4H5119.2°120.0°
C5'S5'CSH645.2°60.0°
C5'S5'CSH7165.4°60.0°
CSS5'C5'C4'102.9°180.0°
S5'CSC1H6119.9°120.0°
S5'CSC1H7119.9°120.0°
S5'CSC1C3139.0°180.0°
CSS5'C5'H4136.8°60.0°
CSS5'C5'H517.4°60.0°
S5'CSH6H7120.3°120.0°
S5'CSC1H1819.3°60.0°
S5'CSC1H19101.3°60.0°
N4'C4'C3'C2'26.6°1.1°
N4'C4'C5'C3'115.3°117.7°
N4'C4'C5'H3123.2°121.2°
N4'C4'C3'H3118.2°119.3°
N4'C4'C3'O3'94.8°120.1°
N4'C4'C3'H2144.0°117.8°
N4'C4'C5'H474.5°172.7°
N4'C4'C5'H5166.1°52.7°
C4'N4'C1'H10143.4°79.2°
O2'C2'C3'H8121.2°123.1°
O2'C2'C3'C4'131.6°140.4°
O2'C2'C3'O3'12.7°21.4°
O2'C2'C3'H2110.8°100.7°
O2'C2'C1'H101.6°37.4°
C2'C3'C4'C5'93.8°120.7°
C2'C3'C4'O3'121.4°119.0°
C2'C3'C4'H2117.4°119.0°
C2'C3'O3'H2122.8°122.1°
C2'C3'O3'H1180.0°62.7°
C2'C3'C4'H3144.8°118.2°
C3'C2'O2'H959.1°61.5°
C3'C2'C1'H10126.2°81.0°
C5'C4'C3'H3121.4°121.1°
C5'C4'C3'O3'144.8°120.3°
C5'C4'C3'H223.6°1.7°
C4'C5'H4H5119.1°120.0°
C5'C4'N4'H1136.5°24.2°
CSC1C3H18119.7°120.0°
CSC1C3H19119.7°120.0°
C1CSH6H7120.4°120.0°
CSC1H18H19120.9°120.0°
CSC1C3H20180.0°180.0°
CSC1C3H2160.0°60.0°
CSC1C3H2260.0°59.9°
C4'C3'O3'H2120.5°122.1°
C4'C3'O3'H163.2°178.6°
C3'C4'C5'H440.8°55.0°
C3'C4'C5'H578.7°65.0°
C4'C3'C2'H8107.2°96.5°
C3'C4'N4'H11155.7°95.3°
O3'C3'C4'H323.4°0.8°
O3'C3'C2'H8133.9°144.5°
C3C1CSH6101.2°60.0°
C3C1CSH719.1°60.0°
C3C1H18H19121.0°120.0°
C1C3H20H21120.0°120.0°
C1C3H20H22120.0°120.0°
C1C3H21H22120.0°119.9°
H1O3'C3'H257.2°59.3°
H2C3'C4'H397.8°122.8°
H2C3'C2'H810.4°22.5°
H3C4'C5'H4162.3°66.1°
H3C4'C5'H542.9°173.9°
H3C4'N4'H1186.3°145.4°
H6CSC1H18139.1°180.0°
H6CSC1H1918.5°60.0°
H7CSC1H18100.6°60.0°
H7CSC1H19138.8°180.0°
H8C2'O2'H961.5°61.7°
H8C2'C1'H10117.8°160.6°
H10C1'N4'H1196.8°160.3°
H13N7C8H140.7°0.1°
H18C1C3H2060.3°60.0°
H18C1C3H21179.7°180.0°
H18C1C3H2259.7°60.1°
H19C1C3H2060.3°60.0°
H19C1C3H2159.7°60.0°
H19C1C3H22179.7°180.0°
H20C3H21H22120.0°120.1°

226707

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