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A1H70

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C11sing1.52Å1.52Å
C12C13sing1.52Å1.52Å
C11C10sing1.56Å1.54Å
C13C14sing1.52Å1.52Å
C10C9sing1.48Å1.50Å
C10N2sing1.44Å1.46Å
O3C9doub1.21Å1.23Å
O5S1doub1.42Å1.43Å
C14N2sing1.47Å1.49Å
C14C3sing1.51Å1.55Å
C9N1sing1.30Å1.35Å
O4S1doub1.42Å1.43Å
N2S1sing1.66Å1.64Å
S1C15sing1.76Å1.76Å
C3C2sing1.51Å1.49Å
C3C4sing1.49Å1.53Å
N1C7sing1.48Å1.46Å
N1C4sing1.52Å1.45Å
C7C6sing1.55Å1.53Å
C7C8sing1.51Å1.52Å
C1C2doub1.31Å1.28Å
C4C5sing1.53Å1.54Å
C15C16doub1.38Å1.38ÅAromatic
C15C20sing1.38Å1.39ÅAromatic
C6C5sing1.55Å1.52Å
C16C17sing1.38Å1.38ÅAromatic
C8O1doub1.21Å1.25Å
C8O2sing1.34Å1.23Å
C20C19doub1.38Å1.39ÅAromatic
C17CL1sing1.74Å1.73Å
C17C18doub1.38Å1.38ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C19CL2sing1.74Å1.72Å
C4H5sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C1H1sing1.08Å1.08Å
C1H2sing1.08Å1.08Å
C2H3sing1.08Å1.08Å
O2H22sing0.97Å0.95Å
C16H19sing1.08Å1.08Å
C18H20sing1.08Å1.08Å
C20H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C12C13109.6°111.3°
C12C11C10108.8°106.0°
C12C11H13109.7°109.1°
C12C11H12109.7°111.2°
C11C12H14109.4°108.8°
C11C12H15109.4°108.8°
C12C13C14112.3°114.9°
C13C12H14109.4°110.4°
C13C12H15109.5°108.7°
C12C13H16108.8°108.4°
C12C13H17108.8°108.4°
C11C10C9111.1°106.8°
C11C10N2109.7°102.9°
C10C11H13109.7°110.2°
C10C11H12109.6°110.1°
C11C10H11106.3°110.4°
C13C14N2111.1°108.5°
C13C14C3112.5°117.9°
C13C14H18107.4°107.7°
C14C13H16108.8°108.9°
C14C13H17108.8°107.8°
C9C10N2115.1°115.3°
C10C9O3117.2°111.7°
C10C9N1122.2°136.5°
C9C10H11106.8°110.3°
C10N2C14116.6°117.1°
C10N2S1120.8°121.4°
N2C10H11107.2°110.9°
O3C9N1120.6°111.8°
O5S1O4118.9°123.2°
O5S1N2110.8°106.4°
O5S1C15106.8°106.4°
N2C14C3110.7°106.2°
C14N2S1115.6°121.5°
N2C14H18107.8°108.0°
C14C3C2107.6°107.3°
C14C3C4112.5°120.1°
C3C14H18107.1°108.2°
C14C3H4108.7°107.3°
C9N1C7117.4°129.9°
C9N1C4129.2°128.0°
O4S1N2107.3°106.4°
O4S1C15108.7°106.4°
N2S1C15103.4°107.2°
S1C15C16120.4°120.0°
S1C15C20119.3°120.0°
C2C3C4109.6°107.3°
C3C2C1128.5°120.0°
C2C3H4109.5°106.9°
C3C2H3115.8°120.0°
C3C4N1111.8°105.3°
C3C4C5113.6°120.0°
C3C4H5109.0°109.4°
C4C3H4108.9°107.3°
C7N1C4113.2°101.9°
N1C7C6103.0°106.8°
N1C7C8113.2°110.0°
N1C7H10111.0°110.0°
N1C4C5103.3°102.9°
N1C4H5110.1°109.2°
C6C7C8109.4°110.0°
C7C6C5103.1°105.0°
C7C6H9111.0°110.3°
C7C6H8111.0°110.4°
C6C7H10109.9°110.0°
C7C8O1112.7°120.0°
C7C8O2122.4°120.0°
C8C7H10110.1°110.0°
C2C1H1120.0°120.0°
C2C1H2120.0°120.0°
C1C2H3115.7°120.0°
C4C5C6104.3°101.3°
C5C4H5108.9°109.4°
C4C5H6110.7°111.0°
C4C5H7110.8°111.1°
C16C15C20120.3°120.0°
C15C16C17119.0°120.0°
C15C16H19120.5°120.0°
C15C20C19119.2°120.0°
C15C20H21120.3°120.0°
C6C5H6110.8°111.1°
C6C5H7110.8°111.1°
C5C6H9111.0°110.3°
C5C6H8111.0°110.4°
C16C17CL1119.8°120.0°
C16C17C18122.0°120.0°
C17C16H19120.5°120.0°
O1C8O2124.6°120.0°
C8O2H22109.5°117.0°
C20C19C18121.3°120.0°
C20C19CL2117.4°120.0°
C19C20H21120.4°120.0°
CL1C17C18118.2°120.0°
C17C18C19118.1°119.9°
C17C18H20121.0°120.0°
C18C19CL2121.2°120.0°
C19C18H20121.0°120.1°
H6C5H7109.5°110.9°
H9C6H8109.5°110.3°
H13C11H12109.4°110.1°
H14C12H15109.5°108.7°
H16C13H17109.5°108.2°
H1C1H2120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C12C13H14120.0°121.0°
C11C12C13H15120.0°119.8°
C12C11C10H13119.9°117.9°
C12C11C10H12119.9°120.4°
C11C12C13C1457.1°47.4°
C12C11C10C969.9°54.1°
C12C11C10N258.6°67.6°
C12C11H13H12120.3°122.3°
C12C11C10H11174.3°174.0°
C11C12H14H15119.9°118.4°
C11C12C13H16177.5°74.7°
C11C12C13H1763.4°168.0°
C13C12C11C1061.0°59.9°
C12C13C14H16120.4°121.8°
C12C13C14H17120.4°121.0°
C12C13C14N248.9°40.7°
C12C13C14C375.8°80.0°
C12C13C14H18166.5°157.3°
C13C12C11H1358.9°178.6°
C13C12C11H12179.1°59.8°
C13C12H14H15120.0°119.2°
C12C13H16H17118.7°117.3°
C11C10C9N2125.5°113.5°
C11C10C9H11115.6°119.9°
C11C10N2H11115.1°118.0°
C11C10C9O358.0°112.5°
C11C10N2C1453.7°69.4°
C11C10C9N1120.1°67.4°
C11C10N2S195.6°110.3°
C10C11H13H12120.3°121.7°
C10C11C12H1459.0°62.0°
C10C11C12H15179.0°179.7°
C13C14N2C1048.7°55.3°
C13C14N2C3125.8°127.7°
C13C14N2H18117.4°116.4°
C13C14C3H18117.8°122.4°
C13C14N2S1102.2°124.4°
C13C14C3C2107.4°145.8°
C13C14C3C4131.8°23.0°
C14C13C12H1462.9°73.6°
C14C13C12H15177.1°167.2°
C14C13H16H17118.7°117.0°
C13C14C3H411.1°99.6°
C9C10N2H11118.7°126.2°
C10C9O3N1178.2°179.9°
C9C10N2C1472.4°46.4°
C9C10N2S1138.2°133.9°
C10C9N1C7174.4°128.6°
C10C9N1C40.8°45.0°
C9C10C11H13170.2°63.8°
C9C10C11H1250.0°174.5°
N2C10C9O3176.5°134.0°
C10N2S1O5115.9°156.8°
C10N2C14S1150.9°179.7°
C10N2C14C377.0°72.4°
N2C10C9N15.4°46.1°
C10N2S1O415.3°23.9°
C10N2S1C15130.1°89.6°
C10N2C14H18166.1°171.8°
N2C10C11H1361.3°174.5°
N2C10C11H12178.5°52.8°
O3C9N1C73.6°51.3°
O3C9N1C4178.9°135.1°
O3C9C10H1157.6°7.4°
O5S1N2C1433.7°23.5°
O5S1O4N2126.5°122.9°
O5S1O4C15122.3°123.0°
O5S1N2C15114.0°113.6°
O5S1C15C167.9°156.5°
O5S1C15C20170.9°23.3°
N2C14C3H18117.3°115.7°
C14N2S1O4164.9°156.5°
C14N2S1C1580.3°90.0°
N2C14C3C2127.7°23.9°
N2C14C3C46.8°98.9°
C14N2C10H11168.8°172.6°
N2C14C13H16169.3°81.2°
N2C14C13H1771.5°161.6°
N2C14C3H4113.9°138.5°
C3C14N2S1132.0°107.9°
C14C3C2C4122.6°130.4°
C14C3C2H4117.9°114.8°
C14C3C4H4120.6°122.7°
C14C3C4N174.2°62.6°
C14C3C2C1107.7°120.0°
C14C3C4C5169.4°52.6°
C14C3C4H547.7°179.9°
C3C14C13H1644.6°158.1°
C3C14C13H17163.7°40.9°
C14C3C2H372.3°60.0°
C9N1C4C359.1°1.5°
C9N1C7C4176.0°174.9°
C9N1C7C6159.8°142.5°
C9N1C7C882.2°98.2°
C9N1C4C5178.4°128.0°
C9N1C4H562.2°115.8°
C9N1C7H1042.3°23.1°
N1C9C10H11124.3°172.7°
O4S1N2C15114.8°113.5°
O4S1C15C16137.3°23.5°
O4S1C15C2041.5°156.2°
N2S1C15C16108.9°90.0°
N2S1C15C2072.3°90.3°
S1N2C14H1815.2°7.9°
S1N2C10H1119.5°7.8°
S1C15C16C20178.8°179.7°
S1C15C16C17177.4°180.0°
S1C15C20C19177.8°179.7°
S1C15C16H192.6°0.0°
S1C15C20H212.2°0.0°
C2C3C4H4119.7°114.6°
C2C3C4N1166.1°60.1°
C3C2C1H3180.0°180.0°
C2C3C4C549.7°175.3°
C2C3C4H572.0°57.1°
C2C3C14H1810.4°91.8°
C3C2C1H10.0°0.0°
C3C2C1H2180.0°180.0°
C3C4N1C7116.3°173.5°
C3C4N1C5122.5°126.5°
C3C4N1H5121.3°117.3°
C4C3C2C1129.7°109.6°
C3C4C5H5121.7°127.5°
C3C4C5C694.9°158.6°
C4C3C14H18110.4°145.4°
C3C4C5H624.3°40.6°
C3C4C5H7146.0°83.3°
C4C3C2H350.3°70.4°
N1C7C6C8120.6°119.3°
N1C7C6H10118.3°119.4°
N1C7C8H10124.9°121.3°
C7N1C4C56.2°47.0°
N1C7C6C531.9°6.4°
N1C7C8O1177.7°1.2°
N1C7C8O28.1°178.8°
C7N1C4H5122.4°69.2°
N1C7C6H9150.8°112.5°
N1C7C6H887.1°125.3°
C4N1C7C616.2°32.4°
C4N1C7C8101.9°86.9°
N1C4C5H5117.0°116.0°
N1C4C5C626.4°42.2°
N1C4C5H6145.6°75.9°
N1C4C5H792.8°160.3°
C4N1C7H10133.7°151.7°
N1C4C3H446.3°174.7°
C6C7C8H10120.9°121.3°
C7C6C5C436.2°21.9°
C7C6C5H9119.0°118.9°
C7C6C5H8119.0°119.0°
C6C7C8O168.1°118.6°
C6C7C8O2106.1°61.5°
C7C6C5H6155.4°96.0°
C7C6C5H782.9°140.0°
C7C6H9H8123.0°122.3°
C8C7C6C588.8°112.9°
C7C8O1O2174.0°179.9°
C8C7C6H930.2°128.2°
C8C7C6H8152.3°6.0°
C7C8O2H22173.5°180.0°
C1C2C3H410.3°5.2°
C2C1H1H2180.0°180.0°
C4C5C6H6119.1°118.0°
C4C5C6H7119.2°118.1°
C4C5H6H7122.4°123.9°
C4C5C6H9155.2°140.8°
C4C5C6H882.7°97.0°
C5C4C3H470.0°70.1°
C15C16C17H19180.0°180.0°
C16C15C20C191.0°0.6°
C15C16C17CL1179.2°180.0°
C15C16C17C180.8°0.0°
C16C15C20H21179.0°179.7°
C20C15C16C171.4°0.3°
C15C20C19H21180.0°179.7°
C15C20C19C180.0°0.6°
C15C20C19CL2178.6°179.7°
C20C15C16H19178.6°179.7°
C6C5C4H5143.4°73.8°
C6C5H6H7122.4°124.1°
C5C6H9H8122.9°122.2°
C5C6C7H10150.2°125.8°
C16C17CL1C18179.9°180.0°
C16C17C18C190.1°0.0°
C16C17C18H20179.9°180.0°
O1C8C7H1052.8°120.1°
O1C8O2H220.0°0.1°
O2C8C7H10133.0°59.8°
C20C19C18C170.5°0.3°
C20C19C18CL2178.5°179.7°
C20C19C18H20179.5°179.7°
CL1C17C18C19179.8°180.0°
CL1C17C16H190.8°0.1°
CL1C17C18H200.2°0.0°
C17C18C19H20180.0°180.0°
C17C18C19CL2178.0°180.0°
C18C17C16H19179.2°180.0°
C18C19C20H21180.0°179.8°
CL2C19C18H202.0°0.0°
CL2C19C20H211.4°0.0°
H5C4C5H697.4°168.1°
H5C4C5H724.2°44.3°
H5C4C3H4168.3°57.5°
H18C14C13H1673.0°35.5°
H18C14C13H1746.1°81.7°
H18C14C3H4128.9°22.8°
H6C5C6H985.6°22.8°
H6C5C6H836.4°145.0°
H7C5C6H936.1°101.1°
H7C5C6H8158.1°21.0°
H9C6C7H1090.8°6.9°
H8C6C7H1031.2°115.3°
H13C11C10H1154.3°56.0°
H13C11C12H14178.9°56.7°
H13C11C12H1561.1°61.7°
H12C11C10H1165.8°65.7°
H12C11C12H1460.9°178.3°
H12C11C12H1559.1°60.0°
H14C12C13H1657.5°164.3°
H14C12C13H17176.6°47.0°
H15C12C13H1662.5°45.1°
H15C12C13H1756.7°72.2°
H4C3C2H3169.7°174.8°
H1C1C2H3179.9°180.0°
H2C1C2H30.1°0.0°

251174

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