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BOI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC11sing1.73Å1.74Å
C10C11doub1.38Å1.37ÅAromatic
C10C9sing1.38Å1.38ÅAromatic
C11C12sing1.38Å1.38ÅAromatic
C9C8doub1.38Å1.39ÅAromatic
C12C13doub1.38Å1.38ÅAromatic
C8C13sing1.38Å1.39ÅAromatic
C8C7sing1.51Å1.50Å
C7O7sing1.43Å1.44Å
O7N1sing1.42Å1.42Å
N1C6doub1.31Å1.29Å
C14N2sing1.46Å1.47Å
C6N2sing1.39Å1.39Å
C6C5sing1.47Å1.42Å
N2C15sing1.35Å1.39Å
C5C4doub1.34Å1.34Å
C15O8doub1.21Å1.22Å
C15Nsing1.34Å1.38Å
C4Nsing1.38Å1.37Å
NC3sing1.47Å1.47Å
O2Psing1.61Å1.54Å
O1Psing1.61Å1.55Å
C3O6sing1.44Å1.42Å
C3C16sing1.54Å1.54Å
O6C2sing1.44Å1.44Å
POdoub1.48Å1.50Å
PCsing1.82Å1.80Å
C16O9sing1.43Å1.43Å
C16C17sing1.55Å1.54Å
O5C1sing1.43Å1.46Å
O5P1sing1.61Å1.58Å
O4P1sing1.61Å1.55Å
C2C1sing1.53Å1.51Å
C2C17sing1.54Å1.52Å
CP1sing1.82Å1.80Å
P1O3doub1.48Å1.50Å
C17O10sing1.43Å1.43Å
C14H19sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C13H16sing1.08Å1.08Å
C12H15sing1.08Å1.08Å
C10H14sing1.08Å1.08Å
C9H13sing1.08Å1.08Å
C5H10sing1.08Å1.08Å
C4H9sing1.08Å1.08Å
C3H1sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
O9H21sing0.97Å0.95Å
C17H22sing1.09Å1.10Å
O10H23sing0.97Å0.95Å
C2Hsing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
O4H6sing0.97Å0.95Å
CH4sing1.09Å1.10Å
CH5sing1.09Å1.10Å
O2H3sing0.97Å0.95Å
O1H2sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC11C10119.2°120.0°
CLC11C12119.3°120.0°
C11C10C9119.1°120.0°
C10C11C12121.2°120.0°
C11C10H14120.4°120.0°
C10C9C8121.1°120.0°
C9C10H14120.4°120.0°
C10C9H13119.4°120.1°
C11C12C13119.0°120.0°
C11C12H15120.5°120.0°
C9C8C13118.3°120.0°
C9C8C7120.6°120.0°
C8C9H13119.4°119.9°
C12C13C8121.1°120.0°
C12C13H16119.4°120.0°
C13C12H15120.5°120.0°
C13C8C7121.0°120.0°
C8C13H16119.4°120.0°
C8C7O7110.9°109.5°
C8C7H12109.1°109.4°
C8C7H11109.1°109.5°
C7O7N1108.4°114.0°
O7C7H12109.1°109.4°
O7C7H11109.1°109.5°
O7N1C6112.4°120.0°
N1C6N2116.4°120.8°
N1C6C5126.9°120.8°
C14N2C6118.9°120.2°
C14N2C15116.9°120.2°
N2C14H19109.5°109.4°
N2C14H17109.4°109.5°
N2C14H18109.5°109.5°
N2C6C5116.7°118.4°
C6N2C15124.1°119.6°
C6C5C4119.5°118.5°
C6C5H10120.3°120.7°
N2C15O8121.5°119.2°
N2C15N115.4°121.6°
C5C4N122.1°120.1°
C4C5H10120.2°120.8°
C5C4H9118.9°120.0°
O8C15N123.0°119.2°
C15NC4121.9°121.8°
C15NC3117.4°119.1°
C4NC3120.7°119.1°
NC4H9119.0°119.9°
NC3O6108.8°110.4°
NC3C16112.7°110.3°
NC3H1109.3°110.3°
O2PO1107.3°109.5°
O2PO113.1°109.5°
O2PC107.9°109.5°
PO2H3109.5°114.0°
O1PO112.7°109.5°
O1PC103.9°109.5°
PO1H2109.5°114.0°
O6C3C16107.3°104.9°
C3O6C2109.3°105.3°
O6C3H1110.1°110.4°
C3C16O9112.0°110.6°
C3C16C17102.2°104.0°
C16C3H1108.5°110.4°
C3C16H20109.4°110.5°
O6C2C1110.5°110.3°
O6C2C17103.0°104.8°
O6C2H109.7°110.4°
OPC111.4°109.4°
PCP1116.8°109.5°
PCH4107.6°109.5°
PCH5107.6°109.5°
O9C16C17112.4°110.5°
O9C16H20111.0°110.5°
C16O9H21109.5°114.0°
C16C17C2102.0°104.1°
C16C17O10111.3°110.5°
C17C16H20109.5°110.6°
C16C17H22110.0°110.5°
C1O5P1127.9°123.0°
O5C1C2109.6°109.5°
O5C1H7109.4°109.4°
O5C1H8109.4°109.5°
O5P1O4105.8°109.5°
O5P1C105.9°109.5°
O5P1O3113.0°109.5°
O4P1C106.8°109.4°
O4P1O3110.2°109.5°
P1O4H6109.5°114.0°
C1C2C17116.2°110.4°
C1C2H108.7°110.3°
C2C1H7109.5°109.4°
C2C1H8109.4°109.5°
C2C17O10111.5°110.5°
C2C17H22110.2°110.7°
C17C2H108.6°110.5°
CP1O3114.6°109.5°
P1CH4107.6°109.5°
P1CH5107.6°109.4°
O10C17H22111.6°110.4°
C17O10H23109.5°114.0°
H19C14H17109.5°109.5°
H19C14H18109.4°109.5°
H17C14H18109.4°109.5°
H12C7H11109.5°109.5°
H7C1H8109.5°109.5°
H4CH5109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC11C10C12174.3°180.0°
CLC11C10C9172.1°179.7°
CLC11C12C13171.9°180.0°
CLC11C12H158.1°0.0°
CLC11C10H147.9°0.0°
C11C10C9H14180.0°179.7°
C11C10C9C80.2°0.5°
C10C11C12C132.4°0.0°
C10C11C12H15177.6°180.0°
C11C10C9H13179.9°180.0°
C9C10C11C122.2°0.3°
C10C9C8H13180.0°179.5°
C10C9C8C131.7°0.5°
C10C9C8C7176.8°179.7°
C11C12C13H15180.0°180.0°
C11C12C13C80.5°0.0°
C11C12C13H16179.5°180.0°
C12C11C10H14177.8°180.0°
C9C8C13C121.5°0.3°
C9C8C13C7178.5°179.8°
C9C8C7O7133.5°90.3°
C9C8C7H1213.3°149.8°
C9C8C7H11106.3°29.8°
C9C8C13H16178.5°179.8°
C8C9C10H14179.8°179.8°
C12C13C8H16180.0°180.0°
C12C13C8C7176.9°180.0°
C13C8C7O744.9°89.9°
C13C8C7H12165.1°30.0°
C13C8C7H1175.3°150.0°
C8C13C12H15179.5°180.0°
C13C8C9H13178.3°180.0°
C8C7O7H12120.2°119.9°
C8C7O7H11120.2°120.1°
C8C7O7N181.7°180.0°
C8C7H12H11119.4°120.0°
C7C8C13H163.1°0.0°
C7C8C9H133.2°0.3°
C7O7N1C6149.4°180.0°
O7C7H12H11119.4°120.0°
O7N1C6N2178.4°180.0°
O7N1C6C50.1°0.1°
N1O7C7H1238.5°60.1°
N1O7C7H11158.1°59.9°
N1C6N2C142.9°0.0°
N1C6N2C5178.5°180.0°
N1C6N2C15174.0°180.0°
N1C6C5C4175.8°180.0°
N1C6C5H104.1°0.1°
C14N2C6C15176.9°180.0°
C14N2C6C5178.5°180.0°
C14N2C15O84.7°0.0°
C14N2C15N178.3°179.8°
N2C14H19H17120.0°120.0°
N2C14H19H18120.0°120.0°
N2C14H17H18120.0°120.0°
N2C6C5C42.5°0.1°
C6N2C15O8172.2°180.0°
C6N2C15N4.8°0.3°
C6N2C14H19180.0°90.0°
C6N2C14H1760.0°30.0°
C6N2C14H1860.0°150.0°
N2C6C5H10177.5°180.0°
C5C6N2C154.6°0.0°
C6C5C4H10180.0°179.9°
C6C5C4N1.1°0.3°
C6C5C4H9178.9°180.0°
N2C15O8N176.8°179.7°
N2C15NC43.1°0.5°
N2C15NC3178.8°179.7°
C15N2C14H192.9°90.0°
C15N2C14H17122.9°150.0°
C15N2C14H18117.1°30.0°
C5C4NC151.4°0.6°
C5C4NH9180.0°179.7°
C5C4NC3179.5°179.7°
O8C15NC4173.9°179.7°
O8C15NC34.3°0.0°
C15NC4C3178.1°179.8°
C15NC3O6147.7°126.4°
C15NC3C1693.4°118.1°
C15NC4H9178.6°179.7°
C15NC3H127.4°4.1°
C4NC3O634.2°53.8°
C4NC3C1684.8°61.6°
NC4C5H10178.9°179.8°
C4NC3H1154.4°176.1°
NC3O6C16122.3°118.8°
NC3O6H1119.8°122.2°
NC3C16H1121.2°122.2°
NC3O6C2133.0°159.3°
NC3C16O9134.5°98.5°
NC3C16C17104.9°142.8°
C3NC4H90.5°0.0°
NC3C16H2011.0°24.1°
O2PO1O125.1°120.0°
O2PO1C114.2°120.0°
O2POC121.8°120.0°
O2PCP145.9°60.0°
O2PCH4166.9°60.0°
O2PCH575.2°180.0°
O2PO1H2125.1°60.0°
O1POC116.3°120.0°
O1PCP1159.6°180.0°
O1PCH479.4°60.0°
O1PCH538.5°60.0°
O1PO2H3124.9°60.0°
O6C3C16H1118.9°119.0°
O6C3C16O9105.6°142.6°
O6C3C16C1714.9°23.9°
C3O6C2C1156.9°159.3°
C3O6C2C1732.2°40.5°
O6C3C16H20130.8°94.8°
C3O6C2H83.3°78.5°
C16C3O6C210.7°40.5°
C3C16O9C17114.4°114.6°
C3C16O9H20122.6°122.7°
C3C16C17H20115.9°118.7°
C3C16C17C233.1°0.1°
C3C16C17O10152.1°118.7°
C3C16O9H21180.0°180.0°
C3C16C17H2283.8°118.8°
O6C2C17C1640.2°24.0°
O6C2C1O572.9°66.5°
O6C2C1C17116.9°115.3°
O6C2C1H120.3°122.2°
O6C2C17H116.3°118.9°
O6C2C17O10159.0°142.6°
C2O6C3H1107.2°78.4°
O6C2C17H2276.6°94.8°
O6C2C1H747.1°173.6°
O6C2C1H8167.1°53.6°
OPCP178.8°60.0°
OPCH442.2°180.0°
OPCH5160.1°60.0°
OPO2H30.0°180.0°
OPO1H20.0°60.0°
PCP1O527.5°180.0°
PCP1O485.0°60.0°
PCP1H4121.1°120.0°
PCP1H5121.0°120.1°
PCP1O3152.8°60.0°
PCH4H5116.6°120.1°
CPO2H3123.7°60.0°
CPO1H2120.7°180.0°
O9C16C17H20123.9°122.7°
O9C16C17C287.1°118.6°
O9C16C17O1031.9°0.0°
O9C16C3H113.3°23.6°
O9C16C17H22156.0°122.5°
C16C17C2C1161.1°142.8°
C16C17C2O10118.8°118.6°
C16C17C2H22116.8°118.8°
C16C17O10H22123.2°122.6°
C17C16C3H1133.8°95.0°
C17C16O9H2165.6°65.4°
C16C17O10H23180.0°61.5°
C16C17C2H76.1°94.9°
C1O5P1O4166.2°65.0°
O5C1C2H7120.0°120.0°
O5C1C2H8120.0°120.0°
O5C1C2C17170.2°178.2°
C1O5P1C80.7°175.0°
C1O5P1O345.6°55.0°
O5C1C2H47.5°55.8°
O5C1H7H8119.9°120.0°
O5P1O4C112.5°120.0°
O5P1O4O3122.5°120.0°
P1O5C1C2136.8°180.0°
O5P1CO3125.3°120.0°
P1O5C1H7103.2°60.0°
P1O5C1H816.8°59.9°
O5P1O4H6122.4°60.0°
O5P1CH493.6°60.0°
O5P1CH5148.6°59.9°
O4P1CO3122.3°120.0°
O4P1CH4154.0°180.0°
O4P1CH536.1°60.0°
C1C2C17H122.8°122.3°
C1C2C17O1080.1°98.6°
C1C2C17H2244.3°24.0°
C2C1H7H8120.0°120.1°
C2C17O10H22123.7°122.8°
C2C17C16H20149.0°118.7°
C2C17O10H2366.9°176.1°
C17C2C1H769.7°58.2°
C17C2C1H850.2°61.8°
CP1O4H6125.0°60.0°
P1CH4H5116.7°119.9°
O3P1O4H60.0°180.0°
O3P1CH431.7°60.0°
O3P1CH586.2°180.0°
O10C17C16H2092.0°122.7°
O10C17C2H42.7°23.8°
H19C14H17H18119.9°120.0°
H16C13C12H150.5°0.0°
H14C10C9H130.1°0.3°
H10C5C4H91.1°0.1°
H1C3C16H20110.2°146.3°
H20C16O9H2157.4°57.3°
H20C16C17H2232.1°0.1°
H22C17O10H2356.7°61.1°
H22C17C2H167.2°146.4°
HC2C1H7167.5°64.2°
HC2C1H872.5°175.8°

227344

PDB entries from 2024-11-13

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