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PE2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2N3doub1.31Å1.30Å
C2N2sing1.37Å1.33Å
C2N1sing1.36Å1.38Å
C4C5doub1.40Å1.38ÅAromatic
C4N9sing1.37Å1.37ÅAromatic
C4N3sing1.34Å1.31Å
C5C6sing1.41Å1.44Å
C5N7sing1.36Å1.41ÅAromatic
C4'O4'sing1.43Å1.42Å
C4'C2'sing1.53Å1.52Å
C4'H4'1sing1.09Å1.12Å
C4'H4'2sing1.09Å1.12Å
O4'HO4'sing0.97Å0.95Å
C3'O3'sing1.43Å1.40Å
C3'C2'sing1.53Å1.50Å
C3'H3'1sing1.09Å1.12Å
C3'H3'2sing1.09Å1.12Å
O3'HO3'sing0.97Å0.95Å
C2'C12sing1.53Å1.50Å
C2'H2'sing1.09Å1.11Å
C12C1'sing1.53Å1.50Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C1'N9sing1.46Å1.47Å
C1'H1'1sing1.09Å1.12Å
C1'H1'2sing1.09Å1.12Å
N9C8sing1.36Å1.37ÅAromatic
N2HN21sing0.97Å1.02Å
N2HN22sing0.97Å1.02Å
N1C6sing1.35Å1.36Å
N1HN1sing0.97Å1.02Å
C6O6doub1.22Å1.27Å
N7C8doub1.30Å1.30ÅAromatic
C8H8sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N3C2N2113.8°119.1°
N3C2N1126.8°121.9°
C2N3C4108.3°121.1°
N2C2N1119.4°119.0°
C2N2HN21113.8°120.0°
C2N2HN22110.6°120.0°
C2N1C6127.5°120.4°
C2N1HN1116.8°119.9°
C5C4N9107.9°106.1°
C5C4N3130.2°119.7°
C4C5C6121.4°118.6°
C4C5N7109.3°107.3°
N9C4N3121.9°134.2°
C4N9C1'127.0°126.3°
C4N9C8103.4°107.5°
C6C5N7129.3°134.1°
C5C6N1105.8°118.3°
C5C6O6132.3°120.8°
C5N7C8102.5°109.3°
O4'C4'C2'106.1°109.5°
O4'C4'H4'1113.5°109.5°
O4'C4'H4'2113.5°109.5°
C4'O4'HO4'106.0°106.8°
C2'C4'H4'1113.5°109.5°
C2'C4'H4'2113.5°109.5°
C4'C2'C3'106.4°109.5°
C4'C2'C12109.9°109.5°
C4'C2'H2'109.8°109.5°
H4'1C4'H4'296.9°109.4°
O3'C3'C2'110.1°109.5°
O3'C3'H3'1112.0°109.5°
O3'C3'H3'2112.0°109.4°
C3'O3'HO3'110.1°106.8°
C2'C3'H3'1111.9°109.5°
C2'C3'H3'2112.0°109.4°
C3'C2'C12104.9°109.5°
C3'C2'H2'114.5°109.4°
H3'1C3'H3'298.4°109.5°
C12C2'H2'111.2°109.5°
C2'C12C1'111.1°109.5°
C2'C12H121111.6°109.5°
C2'C12H122111.6°109.5°
C1'C12H121111.6°109.5°
C1'C12H122111.6°109.4°
C12C1'N9104.0°109.5°
C12C1'H1'1114.3°109.5°
C12C1'H1'2114.3°109.5°
H121C12H12298.8°109.5°
N9C1'H1'1114.3°109.5°
N9C1'H1'2114.3°109.5°
C1'N9C8129.5°126.2°
H1'1C1'H1'296.1°109.4°
N9C8N7116.9°109.8°
N9C8H8123.9°125.1°
HN21N2HN22110.6°120.0°
C6N1HN1115.7°119.8°
N1C6O6121.9°120.9°
N7C8H8119.2°125.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N3C2N2N1178.3°179.8°
C2N3C4C50.5°0.1°
C2N3C4N9179.9°180.0°
N3C2N2HN21180.0°0.0°
N3C2N2HN2254.7°179.7°
N3C2N1C61.5°0.5°
N3C2N1HN1178.6°180.0°
N2C2N3C4179.9°180.0°
C2N2HN21HN22125.3°179.8°
N2C2N1C6179.5°179.7°
N2C2N1HN10.5°0.2°
N1C2N3C41.7°0.2°
C2N1C6C50.2°0.5°
N1C2N2HN211.8°179.8°
N1C2N2HN22127.0°0.5°
C2N1C6HN1180.0°179.5°
C2N1C6O6179.2°179.7°
C5C4N9N3179.7°180.0°
C4C5C6N7177.3°180.0°
C5C4N9C1'177.6°180.0°
C5C4N9C80.6°0.0°
C4C5C6N11.3°0.2°
C4C5C6O6178.0°180.0°
C4C5N7C80.6°0.0°
N9C4C5C6178.6°180.0°
N9C4C5N70.8°0.0°
C4N9C1'C12112.5°90.0°
C4N9C1'C8177.7°180.0°
C4N9C1'H1'112.7°30.1°
C4N9C1'H1'2122.2°150.0°
C4N9C8N70.2°0.0°
C4N9C8H8179.8°180.0°
N3C4C5C61.1°0.1°
N3C4C5N7178.9°180.0°
N3C4N9C1'2.7°0.0°
N3C4N9C8179.1°180.0°
C5C6N1O6179.4°179.8°
C5C6N1HN1179.7°180.0°
C6C5N7C8178.2°180.0°
C5N7C8N90.2°0.0°
N7C5C6N1178.6°179.7°
N7C5C6O60.7°0.1°
C5N7C8H8179.8°180.0°
O4'C4'C2'H4'1125.3°120.0°
O4'C4'C2'H4'2125.3°120.0°
O4'C4'H4'1H4'2119.4°120.0°
O4'C4'C2'C3'179.6°60.0°
O4'C4'C2'C1266.6°180.0°
O4'C4'C2'H2'56.0°60.0°
C2'C4'H4'1H4'2119.4°119.9°
C2'C4'O4'HO4'180.0°180.0°
C4'C2'C3'O3'168.1°60.0°
C4'C2'C3'C12116.5°120.1°
C4'C2'C3'H2'121.4°120.0°
C4'C2'C3'H3'166.6°180.0°
C4'C2'C3'H3'242.8°59.9°
C4'C2'C12H2'121.7°120.0°
C4'C2'C12C1'68.2°180.0°
C4'C2'C12H121166.6°60.0°
C4'C2'C12H12257.0°60.0°
H4'1C4'O4'HO4'54.7°60.0°
H4'1C4'C2'C3'54.3°180.0°
H4'1C4'C2'C1258.7°60.0°
H4'1C4'C2'H2'178.7°60.1°
H4'2C4'O4'HO4'54.7°60.0°
H4'2C4'C2'C3'55.1°60.1°
H4'2C4'C2'C12168.1°60.0°
H4'2C4'C2'H2'69.3°180.0°
O3'C3'C2'H3'1125.3°120.0°
O3'C3'C2'H3'2125.3°119.9°
O3'C3'H3'1H3'2117.9°120.0°
O3'C3'C2'C1251.6°60.0°
O3'C3'C2'H2'70.5°180.0°
C2'C3'H3'1H3'2117.9°120.0°
C2'C3'O3'HO3'180.0°180.0°
C3'C2'C12H2'124.2°120.0°
C3'C2'C12C1'45.8°60.0°
C3'C2'C12H12179.4°180.0°
C3'C2'C12H122171.1°60.0°
H3'1C3'O3'HO3'54.7°60.0°
H3'1C3'C2'C12176.9°60.0°
H3'1C3'C2'H2'54.8°60.0°
H3'2C3'O3'HO3'54.7°60.1°
H3'2C3'C2'C1273.7°180.0°
H3'2C3'C2'H2'164.2°60.0°
C2'C12C1'H121125.3°120.0°
C2'C12C1'H122125.2°120.0°
C2'C12H121H122117.5°120.0°
C2'C12C1'N9135.4°180.0°
C2'C12C1'H1'199.3°59.9°
C2'C12C1'H1'210.1°60.0°
H2'C2'C12C1'170.1°60.0°
H2'C2'C12H12144.8°60.0°
H2'C2'C12H12264.7°180.0°
C1'C12H121H122117.5°119.9°
C12C1'N9H1'1125.3°120.1°
C12C1'N9H1'2125.3°120.0°
C12C1'H1'1H1'2120.2°120.0°
C12C1'N9C869.8°90.0°
H121C12C1'N910.1°60.0°
H121C12C1'H1'1135.4°180.0°
H121C12C1'H1'2115.2°60.0°
H122C12C1'N999.4°60.0°
H122C12C1'H1'125.9°60.1°
H122C12C1'H1'2135.3°180.0°
N9C1'H1'1H1'2120.2°119.9°
C1'N9C8N7177.9°180.0°
C1'N9C8H82.1°0.0°
H1'1C1'N9C8165.0°149.9°
H1'2C1'N9C855.6°30.0°
N9C8N7H8180.0°180.0°
HN1N1C6O60.8°0.2°

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