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A1JF6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C3sing1.43Å1.43Å
C6C5sing1.53Å1.52Å
C4C3sing1.53Å1.52Å
C4C5sing1.53Å1.52Å
C3C2sing1.53Å1.52Å
O1C1doub1.21Å1.21Å
C2C1sing1.51Å1.51Å
C1S1sing1.71Å1.76Å
C8N1sing1.46Å1.46Å
C8C7sing1.53Å1.52Å
N1C9sing1.35Å1.33Å
S1C7sing1.81Å1.82Å
C9C10sing1.51Å1.51Å
C9O3doub1.21Å1.23Å
C17C14sing1.53Å1.53Å
C10C11sing1.53Å1.51Å
C16C14sing1.53Å1.53Å
C14C15sing1.53Å1.53Å
C14C13sing1.53Å1.55Å
C11N2sing1.46Å1.46Å
C15O6sing1.43Å1.42Å
N2C12sing1.35Å1.33Å
O4C12doub1.21Å1.23Å
C12C13sing1.51Å1.52Å
C13O5sing1.43Å1.42Å
N1H1sing0.97Å1.00Å
C2H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
O6H11sing0.97Å0.95Å
C8H12sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C3H14sing1.09Å1.10Å
O2H15sing0.97Å0.95Å
C7H16sing1.09Å1.10Å
C7H17sing1.09Å1.10Å
C10H18sing1.09Å1.10Å
C10H19sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
C11H21sing1.09Å1.10Å
N2H22sing0.97Å1.00Å
C13H23sing1.09Å1.10Å
O5H24sing0.97Å0.95Å
C15H25sing1.09Å1.10Å
C15H26sing1.09Å1.10Å
C16H27sing1.09Å1.10Å
C16H28sing1.09Å1.10Å
C16H29sing1.09Å1.10Å
C17H30sing1.09Å1.10Å
C17H31sing1.09Å1.10Å
C17H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C3C4109.2°109.5°
O2C3C2108.6°109.4°
O2C3H14109.6°109.5°
C3O2H15109.5°114.0°
C6C5C4112.8°109.4°
C6C5H6108.6°109.5°
C6C5H7108.6°109.5°
C5C6H8109.5°109.5°
C5C6H9109.5°109.5°
C5C6H10109.5°109.5°
C3C4C5120.7°109.4°
C4C3C2112.9°109.5°
C3C4H4106.6°109.5°
C3C4H5106.6°109.5°
C4C3H14108.3°109.5°
C5C4H4106.6°109.5°
C5C4H5106.6°109.5°
C4C5H6108.6°109.5°
C4C5H7108.6°109.5°
C3C2C1114.3°109.5°
C3C2H2108.3°109.5°
C3C2H3108.3°109.5°
C2C3H14108.3°109.5°
O1C1C2123.7°120.0°
O1C1S1122.6°120.0°
C2C1S1113.7°120.0°
C1C2H2108.3°109.5°
C1C2H3108.3°109.5°
C1S1C7101.3°100.0°
N1C8C7113.0°109.5°
C8N1C9122.6°120.0°
C8N1H1118.7°120.0°
N1C8H12108.6°109.5°
N1C8H13108.6°109.5°
C8C7S1109.7°109.5°
C7C8H12108.6°109.4°
C7C8H13108.6°109.5°
C8C7H16109.4°109.5°
C8C7H17109.4°109.5°
N1C9C10116.1°120.0°
N1C9O3122.8°120.0°
C9N1H1118.7°120.0°
S1C7H16109.4°109.4°
S1C7H17109.4°109.4°
C10C9O3121.1°120.0°
C9C10C11111.6°109.5°
C9C10H18108.9°109.4°
C9C10H19108.9°109.5°
C17C14C16109.6°109.5°
C17C14C15109.3°109.5°
C17C14C13109.6°109.5°
C14C17H30109.5°109.5°
C14C17H31109.5°109.5°
C14C17H32109.5°109.4°
C10C11N2112.4°109.5°
C11C10H18108.9°109.4°
C11C10H19108.9°109.5°
C10C11H20108.7°109.5°
C10C11H21108.7°109.5°
C16C14C15109.4°109.4°
C16C14C13109.1°109.5°
C14C16H27109.5°109.5°
C14C16H28109.5°109.5°
C14C16H29109.5°109.5°
C15C14C13109.8°109.4°
C14C15O6112.9°109.5°
C14C15H25108.6°109.5°
C14C15H26108.6°109.5°
C14C13C12113.0°109.4°
C14C13O5110.1°109.5°
C14C13H23107.3°109.5°
C11N2C12122.5°120.0°
N2C11H20108.8°109.5°
N2C11H21108.8°109.5°
C11N2H22118.8°120.0°
C15O6H11109.5°114.0°
O6C15H25108.6°109.5°
O6C15H26108.6°109.5°
N2C12O4123.0°120.0°
N2C12C13116.6°120.0°
C12N2H22118.8°120.0°
O4C12C13120.4°120.0°
C12C13O5109.7°109.5°
C12C13H23107.6°109.4°
O5C13H23109.0°109.5°
C13O5H24109.5°114.0°
H2C2H3109.5°109.4°
H4C4H5109.5°109.5°
H6C5H7109.5°109.5°
H8C6H9109.5°109.5°
H8C6H10109.4°109.4°
H9C6H10109.5°109.5°
H12C8H13109.5°109.5°
H16C7H17109.5°109.5°
H18C10H19109.5°109.5°
H20C11H21109.4°109.4°
H25C15H26109.5°109.5°
H27C16H28109.4°109.4°
H27C16H29109.5°109.5°
H28C16H29109.5°109.5°
H30C17H31109.5°109.5°
H30C17H32109.5°109.4°
H31C17H32109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C3C4C2120.8°120.0°
O2C3C4H14119.3°120.0°
O2C3C4C5145.7°65.0°
O2C3C2H14118.9°120.0°
O2C3C2C169.9°65.0°
O2C3C2H2169.4°55.0°
O2C3C2H350.8°175.0°
O2C3C4H424.1°175.0°
O2C3C4H592.7°54.9°
C6C5C4C3162.5°180.0°
C6C5C4H6120.5°120.0°
C6C5C4H7120.5°120.0°
C6C5C4H440.9°60.0°
C6C5C4H575.9°60.0°
C6C5H6H7118.5°120.0°
C5C6H8H9120.0°120.0°
C5C6H8H10120.0°120.0°
C5C6H9H10120.0°120.0°
C3C4C5H4121.6°120.0°
C3C4C5H5121.6°120.0°
C4C3C2H14119.9°120.0°
C4C3C2C1168.9°175.0°
C4C3C2H248.2°65.0°
C4C3C2H370.4°55.0°
C3C4H4H5114.9°120.0°
C3C4C5H642.0°60.0°
C3C4C5H777.0°60.0°
C4C3O2H15180.0°59.9°
C5C4C3C293.4°175.0°
C5C4H4H5114.9°120.0°
C4C5H6H7118.5°120.0°
C4C5C6H8180.0°180.0°
C4C5C6H960.0°60.0°
C4C5C6H1060.0°60.0°
C5C4C3H1426.5°55.0°
C3C2C1O17.6°0.1°
C3C2C1H2120.7°120.0°
C3C2C1H3120.7°120.0°
C3C2C1S1172.8°180.0°
C3C2H2H3117.8°120.0°
C2C3C4H4145.0°55.1°
C2C3C4H528.1°65.0°
C2C3O2H1556.5°60.1°
O1C1C2S1179.5°180.0°
O1C1S1C713.9°0.0°
O1C1C2H2113.1°120.0°
O1C1C2H3128.3°120.1°
C2C1S1C7165.7°180.0°
C1C2H2H3117.8°120.0°
C1C2C3H1448.9°55.0°
C1S1C7C882.6°180.0°
S1C1C2H266.5°60.0°
S1C1C2H352.1°60.0°
C1S1C7H16157.3°60.0°
C1S1C7H1737.4°60.0°
N1C8C7H12120.5°120.0°
N1C8C7H13120.5°120.1°
C8N1C9H1180.0°179.8°
N1C8C7S1175.6°180.0°
C8N1C9C10178.7°179.8°
C8N1C9O31.6°0.3°
N1C8H12H13118.4°120.1°
N1C8C7H1655.6°60.0°
N1C8C7H1764.4°60.0°
C7C8N1C995.2°180.0°
C8C7S1H16120.1°120.0°
C8C7S1H17120.0°120.0°
C7C8N1H184.8°0.2°
C7C8H12H13118.4°120.0°
C8C7H16H17119.9°120.0°
N1C9C10O3179.7°179.9°
N1C9C10C11127.3°180.0°
C9N1C8H12144.3°60.0°
C9N1C8H1325.3°60.0°
N1C9C10H18112.4°60.1°
N1C9C10H196.9°60.0°
S1C7C8H1263.9°60.0°
S1C7C8H1355.1°59.9°
S1C7H16H17119.9°120.0°
C9C10C11H18120.3°120.0°
C9C10C11H19120.3°120.0°
C9C10C11N2177.1°180.0°
C10C9N1H11.3°0.0°
C9C10H18H19119.0°120.0°
C9C10C11H2056.7°60.0°
C9C10C11H2162.4°59.9°
O3C9C10C1152.4°0.1°
O3C9N1H1178.4°179.9°
O3C9C10H1867.9°120.0°
O3C9C10H19172.8°120.0°
C17C14C16C15119.8°120.0°
C17C14C16C13120.0°120.0°
C17C14C15C13120.3°120.0°
C17C14C15O6150.4°60.0°
C17C14C13C1275.3°54.0°
C17C14C13O547.8°65.9°
C17C14C13H23166.2°174.0°
C17C14C15H2589.1°180.0°
C17C14C15H2629.9°60.0°
C17C14C16H27180.0°175.6°
C17C14C16H2860.0°55.6°
C17C14C16H2960.0°64.4°
C14C17H30H31120.0°120.1°
C14C17H30H32120.0°119.9°
C14C17H31H32120.0°120.0°
C10C11N2H20120.4°120.0°
C10C11N2H21120.4°120.1°
C10C11N2C1293.0°180.0°
C11C10H18H19119.0°120.0°
C10C11H20H21118.7°119.9°
C10C11N2H2287.0°0.1°
C16C14C15C13119.7°120.0°
C16C14C15O689.5°60.0°
C16C14C13C1244.8°66.0°
C16C14C13O5167.8°174.0°
C16C14C13H2373.7°54.0°
C16C14C15H2531.0°60.0°
C16C14C15H26150.0°180.0°
C14C16H27H28120.0°120.0°
C14C16H27H29120.0°120.0°
C14C16H28H29120.0°120.0°
C16C14C17H30180.0°60.0°
C16C14C17H3160.0°60.0°
C16C14C17H3260.0°180.0°
C14C15O6H25120.5°120.0°
C14C15O6H26120.5°120.0°
C15C14C13C12164.7°174.1°
C15C14C13O572.3°54.1°
C14C15O6H11180.0°180.0°
C15C14C13H2346.2°66.0°
C14C15H25H26118.5°120.0°
C15C14C16H2760.2°64.4°
C15C14C16H28179.9°175.7°
C15C14C16H2959.8°55.7°
C15C14C17H3060.1°60.0°
C15C14C17H3159.9°180.0°
C15C14C17H32179.9°60.0°
C13C14C15O630.2°180.0°
C14C13C12N2107.6°108.3°
C14C13C12O471.8°71.8°
C14C13C12O5123.3°120.0°
C14C13C12H23118.3°120.0°
C14C13O5H23117.4°120.1°
C14C13O5H24180.0°59.9°
C13C14C15H25150.7°60.0°
C13C14C15H2690.3°60.0°
C13C14C16H2759.9°55.5°
C13C14C16H2860.0°64.4°
C13C14C16H29179.9°175.6°
C13C14C17H3060.3°179.9°
C13C14C17H31179.7°60.0°
C13C14C17H3259.7°60.0°
C11N2C12H22180.0°179.9°
C11N2C12O42.2°5.2°
C11N2C12C13178.3°174.9°
N2C11C10H1862.5°60.0°
N2C11C10H1956.8°60.0°
N2C11H20H21118.7°120.0°
O6C15H25H26118.4°120.0°
N2C12O4C13179.4°180.0°
N2C12C13O515.6°11.8°
C12N2C11H20146.5°60.0°
C12N2C11H2127.4°59.9°
N2C12C13H23134.0°131.8°
O4C12C13O5164.9°168.2°
O4C12N2H22177.8°174.9°
O4C12C13H2346.5°48.2°
C12C13O5H23117.6°120.0°
C13C12N2H221.7°5.1°
C12C13O5H2455.0°60.1°
H1N1C8H1235.7°119.7°
H1N1C8H13154.6°120.2°
H2C2C3H1471.8°175.0°
H3C2C3H14169.7°65.0°
H4C4C5H679.6°59.9°
H4C4C5H7161.4°180.0°
H4C4C3H1495.1°65.0°
H5C4C5H6163.6°180.0°
H5C4C5H744.5°59.9°
H5C4C3H14148.0°174.9°
H6C5C6H859.5°60.0°
H6C5C6H960.5°179.9°
H6C5C6H10179.5°59.9°
H7C5C6H859.5°60.1°
H7C5C6H9179.5°60.0°
H7C5C6H1060.5°180.0°
H8C6H9H10120.0°120.0°
H11O6C15H2559.4°60.0°
H11O6C15H2659.5°60.0°
H12C8C7H16176.1°180.0°
H12C8C7H1756.2°59.9°
H13C8C7H1664.9°60.0°
H13C8C7H17175.1°179.9°
H14C3O2H1561.5°179.9°
H18C10C11H20177.0°179.9°
H18C10C11H2157.9°60.1°
H19C10C11H2063.6°60.1°
H19C10C11H21177.3°179.9°
H20C11N2H2233.5°120.1°
H21C11N2H22152.6°120.0°
H23C13O5H2462.6°180.0°
H27C16H28H29120.0°120.0°
H30C17H31H32120.0°120.0°

253795

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