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HT6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3AC3Asing1.43Å1.44Å
C3AC4Asing1.54Å1.51Å
C3AC2Asing1.54Å1.50Å
N1AC1Asing1.49Å1.48Å
N1AC2Asing1.49Å1.47Å
N1AC10sing1.47Å1.46Å
C1AC4Asing1.54Å1.53Å
C4AC5Asing1.53Å1.54Å
C23C22sing1.53Å1.53Å
C23C24sing1.53Å1.53Å
C22C21sing1.53Å1.52Å
C10C9sing1.51Å1.51Å
C20C21sing1.53Å1.52Å
C20S5Asing1.81Å1.77Å
C25C24sing1.53Å1.52Å
S5AC5Asing1.81Å1.76Å
C9C8doub1.35Å1.39ÅAromatic
C9C4sing1.46Å1.46ÅAromatic
C8N7sing1.36Å1.37ÅAromatic
C4N3doub1.34Å1.35ÅAromatic
C4C5sing1.41Å1.45ÅAromatic
N3C2sing1.32Å1.32ÅAromatic
N7C5sing1.38Å1.34ÅAromatic
C5C6doub1.40Å1.47ÅAromatic
C2N1doub1.32Å1.35ÅAromatic
N1C6sing1.33Å1.34ÅAromatic
C6N6sing1.39Å1.36Å
O3AH1sing0.97Å0.95Å
C3AH2sing1.09Å1.10Å
C4AH3sing1.09Å1.10Å
C5AH4sing1.09Å1.10Å
C5AH5sing1.09Å1.10Å
C20H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C23H12sing1.09Å1.10Å
C23H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C25H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C2AH19sing1.09Å1.10Å
C2AH20sing1.09Å1.10Å
C1AH22sing1.09Å1.10Å
C1AH23sing1.09Å1.10Å
C10H24sing1.09Å1.10Å
C10H25sing1.09Å1.10Å
C2H26sing1.08Å1.08Å
N6H27sing0.97Å1.00Å
N6H28sing0.97Å1.00Å
N7H29sing0.97Å1.00Å
C8H30sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3AC3AC4A111.7°110.3°
O3AC3AC2A110.4°110.3°
C3AO3AH1109.5°114.0°
O3AC3AH2111.0°110.2°
C4AC3AC2A103.4°105.1°
C3AC4AC1A103.9°105.1°
C3AC4AC5A112.5°110.3°
C4AC3AH2110.0°110.3°
C3AC4AH3109.9°110.3°
C3AC2AN1A101.7°104.6°
C2AC3AH2110.1°110.4°
C3AC2AH19111.4°110.4°
C3AC2AH20111.4°110.4°
C1AN1AC2A108.7°104.2°
C1AN1AC10116.2°111.0°
N1AC1AC4A104.9°104.6°
N1AC1AH22110.6°110.4°
N1AC1AH23110.6°110.4°
C2AN1AC10112.9°111.0°
N1AC2AH19111.4°110.4°
N1AC2AH20111.4°110.6°
N1AC10C9118.8°109.5°
N1AC10H24107.1°109.4°
N1AC10H25107.1°109.5°
C1AC4AC5A111.1°110.3°
C1AC4AH3109.7°110.4°
C4AC1AH22110.6°110.4°
C4AC1AH23110.6°110.4°
C4AC5AS5A113.2°109.4°
C5AC4AH3109.6°110.3°
C4AC5AH4108.5°109.5°
C4AC5AH5108.5°109.4°
C22C23C24110.6°109.4°
C23C22C21111.5°109.5°
C23C22H10109.0°109.5°
C23C22H11109.0°109.5°
C22C23H12109.2°109.4°
C22C23H13109.2°109.5°
C23C24C25111.6°109.4°
C24C23H12109.2°109.4°
C24C23H13109.2°109.5°
C23C24H14108.9°109.4°
C23C24H15108.9°109.5°
C22C21C20108.9°109.5°
C22C21H8109.6°109.4°
C22C21H9109.6°109.5°
C21C22H10108.9°109.5°
C21C22H11109.0°109.4°
C10C9C8126.1°126.4°
C10C9C4129.4°126.5°
C9C10H24107.1°109.4°
C9C10H25107.1°109.5°
C21C20S5A112.9°109.5°
C21C20H6108.6°109.5°
C21C20H7108.6°109.4°
C20C21H8109.7°109.5°
C20C21H9109.6°109.5°
C20S5AC5A101.7°103.0°
S5AC20H6108.6°109.4°
S5AC20H7108.6°109.5°
C25C24H14108.9°109.5°
C25C24H15108.9°109.5°
C24C25H16109.5°109.4°
C24C25H17109.5°109.5°
C24C25H18109.5°109.5°
S5AC5AH4108.6°109.5°
S5AC5AH5108.5°109.5°
C8C9C4104.5°107.0°
C9C8N7111.1°109.8°
C9C8H30124.5°125.1°
C9C4N3131.8°134.8°
C9C4C5106.5°106.0°
C8N7C5110.3°109.8°
C8N7H29124.9°125.1°
N7C8H30124.5°125.1°
N3C4C5121.7°119.2°
C4N3C2119.5°120.4°
C4C5N7107.7°107.3°
C4C5C6115.1°118.1°
N3C2N1122.8°122.4°
N3C2H26118.6°118.8°
N7C5C6137.2°134.6°
C5N7H29124.8°125.1°
C5C6N1118.2°118.6°
C5C6N6120.8°120.7°
C2N1C6122.6°121.3°
N1C2H26118.6°118.8°
N1C6N6120.9°120.7°
C6N6H27109.5°120.0°
C6N6H28109.5°120.0°
H4C5AH5109.5°109.5°
H6C20H7109.5°109.5°
H8C21H9109.5°109.5°
H10C22H11109.5°109.5°
H12C23H13109.5°109.5°
H14C24H15109.4°109.5°
H16C25H17109.5°109.5°
H16C25H18109.5°109.4°
H17C25H18109.5°109.5°
H19C2AH20109.5°110.4°
H22C1AH23109.5°110.5°
H24C10H25109.5°109.5°
H27N6H28109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3AC3AC4AC2A118.7°118.9°
O3AC3AC4AH2123.8°122.1°
O3AC3AC2AH2122.9°122.1°
O3AC3AC2AN1A78.0°95.1°
O3AC3AC4AC1A83.2°118.9°
O3AC3AC4AC5A156.6°122.2°
O3AC3AC4AH334.2°0.1°
O3AC3AC2AH19163.3°146.2°
O3AC3AC2AH2040.8°23.9°
C4AC3AC2AH2117.4°118.9°
C3AC4AC1AN1A15.5°23.8°
C4AC3AC2AN1A41.7°23.8°
C3AC4AC1AC5A121.2°118.9°
C3AC4AC1AH3117.5°119.0°
C3AC4AC5AH3122.6°122.1°
C3AC4AC5AS5A75.6°175.0°
C4AC3AO3AH1180.0°180.0°
C3AC4AC5AH445.0°55.0°
C3AC4AC5AH5163.9°65.0°
C4AC3AC2AH1977.1°94.9°
C4AC3AC2AH20160.4°142.8°
C3AC4AC1AH22134.8°142.6°
C3AC4AC1AH23103.8°94.9°
C3AC2AN1AC1A32.7°39.5°
C3AC2AN1AH19118.7°118.8°
C3AC2AN1AH20118.7°118.8°
C3AC2AN1AC10163.2°159.0°
C2AC3AC4AC1A35.5°0.0°
C2AC3AC4AC5A84.7°118.9°
C2AC3AO3AH165.5°64.3°
C2AC3AC4AH3152.9°119.0°
C3AC2AH19H20123.6°122.3°
C1AN1AC2AC10130.5°119.6°
N1AC1AC4AH22119.3°118.7°
N1AC1AC4AH23119.3°118.7°
N1AC1AC4AC5A105.7°142.7°
C1AN1AC10C948.8°170.0°
N1AC1AC4AH3132.9°95.1°
C1AN1AC2AH1986.1°79.3°
C1AN1AC2AH20151.4°158.3°
N1AC1AH22H23122.1°122.4°
C1AN1AC10H24170.1°50.0°
C1AN1AC10H2572.5°70.0°
C2AN1AC1AC4A10.7°39.5°
C2AN1AC10C977.8°74.6°
N1AC2AC3AH2159.1°142.8°
N1AC2AH19H20123.6°122.5°
C2AN1AC1AH22108.5°158.2°
C2AN1AC1AH23130.0°79.2°
C2AN1AC10H2443.5°165.5°
C2AN1AC10H25160.9°45.5°
C10N1AC1AC4A139.4°159.0°
N1AC10C9H24121.3°119.9°
N1AC10C9H25121.3°120.0°
N1AC10C9C8105.5°100.1°
N1AC10C9C478.1°80.3°
C10N1AC2AH1944.5°40.3°
C10N1AC2AH2078.1°82.1°
C10N1AC1AH2220.1°82.2°
C10N1AC1AH23101.3°40.3°
N1AC10H24H25115.8°120.0°
C1AC4AC5AH3121.4°122.2°
C1AC4AC5AS5A168.4°69.3°
C1AC4AC3AH2153.1°119.0°
C1AC4AC5AH471.0°170.7°
C1AC4AC5AH547.9°50.6°
C4AC1AH22H23122.1°122.4°
C4AC5AS5AC2078.5°180.0°
C4AC5AS5AH4120.6°120.0°
C4AC5AS5AH5120.5°119.9°
C5AC4AC3AH232.8°0.1°
C4AC5AH4H5118.3°120.0°
C5AC4AC1AH2213.6°98.5°
C5AC4AC1AH23135.0°24.0°
C22C23C24H12120.2°119.9°
C22C23C24H13120.2°120.0°
C23C22C21H10120.3°120.0°
C23C22C21H11120.3°120.0°
C23C22C21C20176.5°180.0°
C22C23C24C25179.4°180.0°
C23C22C21H863.5°60.0°
C23C22C21H956.6°60.0°
C23C22H10H11119.1°120.1°
C22C23H12H13119.5°120.1°
C22C23C24H1459.1°60.1°
C22C23C24H1560.3°60.0°
C24C23C22C21168.6°180.0°
C23C24C25H14120.4°119.9°
C23C24C25H15120.3°120.1°
C24C23C22H1071.1°60.1°
C24C23C22H1148.3°60.0°
C24C23H12H13119.5°120.0°
C23C24H14H15119.0°120.1°
C23C24C25H16180.0°179.9°
C23C24C25H1760.0°60.1°
C23C24C25H1860.0°60.0°
C22C21C20H8119.9°120.0°
C22C21C20H9119.9°120.0°
C22C21C20S5A164.0°180.0°
C22C21C20H675.5°60.0°
C22C21C20H743.5°60.0°
C22C21H8H9120.2°120.0°
C21C22H10H11119.1°120.0°
C21C22C23H1271.2°60.0°
C21C22C23H1348.5°60.0°
C10C9C8C4177.1°179.7°
C10C9C8N7178.1°179.9°
C10C9C4N32.7°0.0°
C10C9C4C5177.6°180.0°
C9C10H24H25115.8°120.1°
C10C9C8H301.8°0.0°
C21C20S5AH6120.5°120.0°
C21C20S5AH7120.5°120.0°
C21C20S5AC5A172.0°180.0°
C21C20H6H7118.4°120.0°
C20C21H8H9120.3°120.0°
C20C21C22H1056.2°60.0°
C20C21C22H1163.2°60.0°
C20S5AC5AH4161.0°60.0°
C20S5AC5AH542.1°60.0°
S5AC20H6H7118.4°120.1°
S5AC20C21H844.1°60.0°
S5AC20C21H976.1°60.0°
C25C24C23H1260.4°60.1°
C25C24C23H1359.2°60.0°
C25C24H14H15119.0°120.0°
C24C25H16H17120.0°120.0°
C24C25H16H18120.0°120.0°
C24C25H17H18120.0°120.1°
S5AC5AC4AH347.0°52.9°
S5AC5AH4H5118.3°120.0°
C5AS5AC20H667.5°60.0°
C5AS5AC20H751.5°60.0°
C9C8N7H30180.0°179.9°
C8C9C4N3179.7°179.7°
C8C9C4C50.6°0.3°
C9C8N7C51.1°0.4°
C8C9C10H24133.1°140.0°
C8C9C10H2515.8°20.0°
C9C8N7H29178.9°179.7°
C4C9C8N71.0°0.4°
C9C4N3C5179.7°180.0°
C9C4N3C2179.8°180.0°
C9C4C5N70.0°0.0°
C9C4C5C6179.9°180.0°
C4C9C10H2443.3°39.6°
C4C9C10H25160.6°159.7°
C4C9C8H30179.0°179.7°
C8N7C5C40.7°0.2°
C8N7C5H29180.0°179.8°
C8N7C5C6179.5°179.7°
N3C4C5N7179.7°180.0°
N3C4C5C60.1°0.0°
C4N3C2N11.4°0.0°
C4N3C2H26178.6°180.0°
C5C4N3C20.1°0.0°
C4C5N7C6179.8°180.0°
C4C5C6N11.4°0.0°
C4C5C6N6179.7°180.0°
C4C5N7H29179.4°179.9°
N3C2N1H26180.0°180.0°
N3C2N1C62.8°0.0°
N7C5C6N1178.4°180.0°
N7C5C6N60.1°0.1°
C5N7C8H30178.9°179.7°
C5C6N1C22.7°0.0°
C5C6N1N6178.4°180.0°
C5C6N6H27178.3°180.0°
C5C6N6H2861.7°0.1°
C6C5N7H290.4°0.1°
C2N1C6N6178.9°179.9°
C6N1C2H26177.2°180.0°
N1C6N6H270.0°0.0°
N1C6N6H28120.0°180.0°
C6N6H27H28120.0°179.9°
H1O3AC3AH256.9°57.9°
H2C3AC4AH389.6°122.0°
H2C3AC2AH1940.4°24.0°
H2C3AC2AH2082.2°98.3°
H3C4AC5AH4167.6°67.1°
H3C4AC5AH573.5°172.9°
H3C4AC1AH22107.8°23.6°
H3C4AC1AH2313.6°146.2°
H6C20C21H8164.6°180.0°
H6C20C21H944.4°60.0°
H7C20C21H876.4°60.0°
H7C20C21H9163.4°180.0°
H8C21C22H10176.2°180.0°
H8C21C22H1156.8°60.0°
H9C21C22H1063.7°60.0°
H9C21C22H11176.9°180.0°
H10C22C23H1249.1°180.0°
H10C22C23H13168.8°59.9°
H11C22C23H12168.5°59.9°
H11C22C23H1371.8°180.0°
H12C23C24H14179.2°180.0°
H12C23C24H1559.9°59.9°
H13C23C24H1461.1°60.0°
H13C23C24H15179.6°180.0°
H14C24C25H1659.6°60.0°
H14C24C25H17179.6°180.0°
H14C24C25H1860.4°59.9°
H15C24C25H1659.7°60.0°
H15C24C25H1760.3°60.0°
H15C24C25H18179.7°180.0°
H16C25H17H18120.0°120.0°
H29N7C8H301.1°0.1°

224931

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