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KQ8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3C12sing1.34Å1.30Å
O4C12doub1.21Å1.22Å
C12C9sing1.51Å1.51Å
C11C10sing1.53Å1.51Å
C9C10sing1.53Å1.51Å
C9C8sing1.53Å1.54Å
C10O2sing1.43Å1.43Å
C8N3sing1.47Å1.45Å
C8C13sing1.54Å1.54Å
N3C6sing1.40Å1.36Å
C13C14sing1.53Å1.52Å
C13C5sing1.51Å1.52Å
C6C7sing1.41Å1.47Å
C6C5doub1.35Å1.37Å
OC7sing1.35Å1.30Å
C7O1doub1.22Å1.22Å
C5S1sing1.76Å1.75Å
S1C4sing1.81Å1.82Å
C2C4sing1.55Å1.55Å
C2C1sing1.54Å1.53Å
C4C3sing1.55Å1.53Å
C1Csing1.53Å1.55Å
C1N2sing1.47Å1.47Å
C3N2sing1.48Å1.47Å
CN1sing1.47Å1.47Å
N1Ssing1.66Å1.62Å
O5Sdoub1.42Å1.42Å
SO6doub1.42Å1.42Å
SNsing1.66Å1.61Å
C1Hsing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C2H11sing1.09Å1.10Å
C3H14sing1.09Å1.10Å
C3H13sing1.09Å1.10Å
C4H1sing1.09Å1.10Å
C9H2sing1.09Å1.10Å
C11H19sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C14H23sing1.09Å1.10Å
C14H24sing1.09Å1.10Å
C14H25sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
NH6sing0.97Å1.00Å
NH5sing0.97Å1.00Å
CH8sing1.09Å1.10Å
CH9sing1.09Å1.10Å
OH15sing0.97Å0.95Å
C10H3sing1.09Å1.10Å
C8H17sing1.09Å1.10Å
N1H7sing0.97Å1.00Å
N2H26sing1.01Å1.00Å
N3H16sing0.97Å1.00Å
O2H21sing0.97Å0.95Å
O3H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C12O4123.9°120.0°
O3C12C9113.5°120.0°
C12O3H22109.5°117.0°
O4C12C9122.6°120.0°
C12C9C10107.9°109.5°
C12C9C8100.8°109.5°
C12C9H2109.5°109.5°
C11C10C9111.1°109.4°
C11C10O2108.7°109.5°
C10C11H19109.5°109.5°
C10C11H20109.5°109.5°
C10C11H18109.4°109.5°
C11C10H3109.3°109.5°
C10C9C8119.4°109.4°
C9C10O2108.1°109.5°
C10C9H2109.5°109.5°
C9C10H3109.3°109.5°
C9C8N3112.4°110.4°
C9C8C13116.0°110.4°
C8C9H2109.2°109.5°
C9C8H17107.7°110.4°
O2C10H3110.4°109.5°
C10O2H21109.5°114.0°
N3C8C13104.0°104.7°
C8N3C6110.9°109.2°
N3C8H17108.8°110.4°
C8N3H16109.1°125.4°
C8C13C14114.1°110.4°
C8C13C5103.5°104.5°
C8C13H4108.7°110.5°
C13C8H17107.6°110.5°
N3C6C7120.0°123.6°
N3C6C5112.5°112.7°
C6N3H16109.1°125.4°
C14C13C5112.4°110.4°
C13C14H23109.5°109.4°
C13C14H24109.5°109.5°
C13C14H25109.5°109.4°
C14C13H4108.9°110.4°
C13C5C6107.5°108.9°
C13C5S1123.6°125.5°
C5C13H4109.0°110.4°
C7C6C5127.5°123.7°
C6C7O115.4°120.0°
C6C7O1121.2°120.0°
C6C5S1128.9°125.6°
OC7O1123.5°120.0°
C7OH15109.5°114.0°
C5S1C4106.7°100.0°
S1C4C2105.5°111.0°
S1C4C3115.5°111.0°
S1C4H1108.8°110.9°
C4C2C1108.5°103.0°
C2C4C3101.8°101.7°
C4C2H10109.7°110.7°
C4C2H11109.7°110.8°
C2C4H1112.3°111.0°
C2C1C114.8°109.9°
C2C1N2102.0°107.2°
C2C1H111.3°110.0°
C1C2H10109.7°110.7°
C1C2H11109.7°110.7°
C4C3N2102.9°104.8°
C4C3H14111.1°110.4°
C4C3H13111.1°110.4°
C3C4H1112.6°111.0°
CC1N2105.0°109.9°
C1CN1111.6°109.5°
CC1H111.0°109.9°
C1CH8109.0°109.5°
C1CH9108.9°109.5°
C1N2C3107.9°108.6°
N2C1H112.3°109.8°
C1N2H26109.9°111.0°
N2C3H14111.1°110.4°
N2C3H13111.1°110.4°
C3N2H26109.9°111.0°
CN1S123.8°120.0°
N1CH8108.9°109.4°
N1CH9108.9°109.5°
CN1H7105.8°120.0°
N1SO5107.1°106.4°
N1SO6108.2°106.4°
N1SN105.3°107.2°
SN1H7105.8°120.0°
O5SO6121.8°123.2°
O5SN106.6°106.4°
O6SN106.7°106.4°
SNH6109.5°120.0°
SNH5109.5°120.0°
H10C2H11109.5°110.7°
H14C3H13109.5°110.3°
H19C11H20109.5°109.4°
H19C11H18109.5°109.5°
H20C11H18109.5°109.5°
H23C14H24109.4°109.5°
H23C14H25109.5°109.5°
H24C14H25109.5°109.5°
H6NH5109.5°120.0°
H8CH9109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C12O4C9178.2°179.9°
O3C12C9C1078.7°179.9°
O3C12C9C8155.4°60.0°
O3C12C9H240.4°60.0°
O4C12C9C1099.7°0.0°
O4C12C9C826.2°119.9°
O4C12C9H2141.2°120.0°
O4C12O3H220.0°0.1°
C12C9C10C1167.6°60.0°
C12C9C10C8114.1°120.0°
C12C9C10H2119.1°120.0°
C12C9C8H2115.2°120.0°
C12C9C10O2173.3°180.0°
C12C9C8N364.9°178.6°
C12C9C8C13175.7°63.3°
C12C9C10H353.0°60.0°
C12C9C8H1755.0°59.1°
C9C12O3H22178.4°180.0°
C11C10C9O2119.2°120.0°
C11C10C9H3120.6°120.0°
C11C10C9C8178.4°179.9°
C11C10O2H3119.9°120.0°
C11C10C9H251.6°60.0°
C10C11H19H20120.0°120.0°
C10C11H19H18120.0°120.0°
C10C11H20H18120.0°120.1°
C11C10O2H21180.0°60.0°
C10C9C8H2126.9°120.0°
C9C10O2H3119.5°120.0°
C10C9C8N353.0°61.5°
C10C9C8C1366.5°176.7°
C9C10C11H19180.0°60.0°
C9C10C11H2060.0°180.0°
C9C10C11H1860.0°60.0°
C10C9C8H17172.9°60.9°
C9C10O2H2159.3°60.0°
C8C9C10O259.2°60.0°
C9C8N3C13126.3°118.8°
C9C8N3H17119.2°122.3°
C9C8C13H17120.7°122.4°
C9C8N3C6136.9°118.8°
C9C8C13C14101.0°122.6°
C9C8C13C5136.6°118.6°
C9C8C13H420.8°0.2°
C8C9C10H361.1°60.0°
C9C8N3H16102.8°61.2°
O2C10C9H267.6°60.0°
O2C10C11H1961.2°60.0°
O2C10C11H20178.8°60.0°
O2C10C11H1858.8°180.0°
N3C8C13H17115.3°118.9°
C8N3C6H16120.2°180.0°
N3C8C13C14135.0°118.6°
N3C8C13C512.6°0.1°
C8N3C6C7176.7°179.8°
C8N3C6C54.0°0.1°
N3C8C9H2179.9°58.5°
N3C8C13H4103.2°119.0°
C13C8N3C610.7°0.0°
C8C13C14C5117.4°115.1°
C8C13C14H4121.7°122.5°
C8C13C5H4115.5°118.9°
C8C13C5C610.8°0.2°
C8C13C5S1167.4°180.0°
C13C8C9H260.4°56.7°
C8C13C14H23180.0°176.5°
C8C13C14H2460.0°63.5°
C8C13C14H2560.0°56.6°
C13C8N3H16130.9°180.0°
N3C6C5C134.8°0.2°
N3C6C7C5179.1°180.0°
N3C6C7O64.7°5.3°
N3C6C7O1114.6°174.7°
N3C6C5S1173.4°180.0°
C6N3C8H17103.8°118.9°
C14C13C5H4120.9°122.4°
C14C13C5C6134.4°118.5°
C14C13C5S143.9°61.3°
C13C14H23H24120.0°120.0°
C13C14H23H25120.0°119.9°
C13C14H24H25120.0°120.0°
C14C13C8H1719.7°0.3°
C13C5C6C7174.4°179.7°
C13C5C6S1178.1°179.8°
C13C5S1C498.0°65.3°
C5C13C14H2362.6°61.5°
C5C13C14H24177.4°178.5°
C5C13C14H2557.4°58.5°
C5C13C8H17102.7°119.0°
C6C7OO1179.2°180.0°
C7C6C5S17.5°0.0°
C6C7OH15179.2°180.0°
C7C6N3H1656.5°0.2°
C5C6C7O114.4°174.7°
C5C6C7O166.3°5.3°
C6C5S1C484.1°115.0°
C6C5C13H4104.7°119.1°
C5C6N3H16124.2°179.8°
O1C7OH150.0°0.1°
C5S1C4C271.3°173.4°
C5S1C4C3177.1°74.3°
C5S1C4H149.4°49.6°
S1C5C13H477.0°61.1°
S1C4C2C3121.0°118.1°
S1C4C2H1118.4°123.8°
S1C4C2C1135.0°153.7°
S1C4C3H1125.8°123.8°
S1C4C3N2147.0°155.2°
S1C4C2H10105.2°35.3°
S1C4C2H1115.1°87.9°
S1C4C3H1428.1°36.3°
S1C4C3H1394.0°85.9°
C4C2C1H10119.9°118.4°
C4C2C1H11119.8°118.4°
C2C4C3H1120.4°118.1°
C4C2C1C102.4°141.7°
C4C2C1N210.5°22.3°
C2C4C3N233.3°37.1°
C4C2C1H130.4°97.2°
C4C2H10H11120.4°123.2°
C2C4C3H1485.7°81.8°
C2C4C3H13152.2°155.9°
C1C2C4C314.0°35.6°
C2C1CN2111.1°117.8°
C2C1CH127.3°121.2°
C2C1N2H119.2°119.5°
C2C1N2C333.1°1.0°
C2C1CN1143.4°174.2°
C1C2H10H11120.4°123.2°
C1C2C4H1106.7°82.5°
C2C1CH896.3°65.8°
C2C1CH923.1°54.2°
C2C1N2H2686.7°121.3°
C4C3N2C143.1°24.1°
C4C3N2H14119.0°118.8°
C4C3N2H13118.9°118.9°
C3C4C2H10133.8°82.8°
C3C4C2H11105.9°154.0°
C4C3H14H13123.0°122.3°
C4C3N2H2676.6°98.2°
CC1N2H120.7°121.0°
CC1N2C386.9°118.4°
C1CN1H8120.3°120.0°
C1CN1H9120.3°120.0°
C1CN1S172.8°165.0°
CC1C2H10137.7°23.3°
CC1C2H1117.4°99.9°
C1CH8H9119.0°120.0°
C1CN1H750.9°15.0°
CC1N2H26153.3°119.3°
C1N2C3H26119.7°122.3°
N2C1CN132.3°56.5°
N2C1C2H10109.3°96.1°
N2C1C2H11130.4°140.7°
C1N2C3H1475.8°94.7°
C1N2C3H13162.0°143.0°
N2C1CH8152.6°176.4°
N2C1CH988.1°63.5°
C3N2C1H152.3°120.6°
N2C3H14H13123.1°122.3°
N2C3C4H187.2°81.0°
CN1SH7121.9°180.0°
CN1SO513.2°48.6°
CN1SO6119.7°178.5°
CN1SN126.4°65.0°
N1CC1H89.3°64.5°
N1CH8H9119.0°120.0°
N1SO5O6125.0°122.9°
N1SO5N112.3°114.1°
N1SO6N112.9°114.1°
N1SNH6180.0°150.0°
N1SNH560.0°30.0°
SN1CH866.8°45.0°
SN1CH952.5°75.0°
O5SO6N122.6°122.9°
O5SNH666.4°96.4°
O5SNH5173.5°83.6°
O5SN1H7135.1°131.5°
O6SNH665.2°36.5°
O6SNH554.8°143.5°
O6SN1H72.2°1.4°
SNH6H5120.0°179.9°
NSN1H7111.6°115.0°
HC1C2H1010.6°144.4°
HC1C2H11109.7°21.3°
HC1CH831.1°55.4°
HC1CH9150.4°175.5°
HC1N2H2632.6°1.7°
H10C2C4H113.2°159.1°
H11C2C4H1133.5°35.9°
H14C3C4H1153.9°160.1°
H14C3N2H26164.4°143.0°
H13C3C4H131.8°37.8°
H13C3N2H2642.3°20.7°
H2C9C10H3172.2°NaN°
H2C9C8H1760.2°179.1°
H19C11H20H18120.0°120.0°
H19C11C10H359.4°180.0°
H20C11C10H360.6°60.0°
H18C11C10H3179.4°60.0°
H23C14H24H25120.0°120.0°
H23C14C13H458.3°60.9°
H24C14C13H461.6°59.1°
H25C14C13H4178.3°179.1°
H4C13C8H17141.5°122.2°
H8CN1H7171.2°135.0°
H9CN1H769.5°105.0°
H3C10O2H2160.2°180.0°
H17C8N3H1616.4°61.1°

222624

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