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ZM0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C2C3sing1.53Å1.54Å
C3N1sing1.47Å1.46Å
N1C4sing1.35Å1.31Å
C4O1doub1.22Å1.23Å
C4N2sing1.35Å1.35Å
N2C5sing1.47Å1.47Å
C5C6sing1.53Å1.52Å
C6N3sing1.47Å1.46Å
N3C7sing1.47Å1.46Å
C7C8sing1.53Å1.51Å
N3C9sing1.35Å1.35Å
C9O2doub1.22Å1.22Å
C9C10sing1.46Å1.42Å
C10C11doub1.35Å1.40ÅAromatic
C11C12sing1.40Å1.38ÅAromatic
C12S1sing1.77Å1.72ÅAromatic
S1C13sing1.75Å1.73ÅAromatic
C13C14doub1.32Å1.37ÅAromatic
C14C15sing1.41Å1.42ÅAromatic
C15S2sing1.77Å1.73ÅAromatic
C2C16sing1.53Å1.57Å
C16C17sing1.53Å1.53Å
C16C18sing1.53Å1.53Å
C16C19sing1.53Å1.53Å
N2C8sing1.47Å1.46Å
C10S2sing1.75Å1.74ÅAromatic
C12C15doub1.38Å1.39ÅAromatic
N1H7sing0.97Å1.00Å
C5H9sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C7H13sing1.09Å1.10Å
C8H15sing1.09Å1.10Å
C8H14sing1.09Å1.10Å
C13H17sing1.08Å1.08Å
C17H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C11H16sing1.08Å1.08Å
C14H18sing1.08Å1.08Å
C18H22sing1.09Å1.10Å
C18H24sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
C19H26sing1.09Å1.10Å
C19H27sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3109.1°109.5°
C1C2C16114.9°109.5°
C2C1H2109.5°109.5°
C2C1H1109.5°109.5°
C2C1H3109.5°109.5°
C1C2H4106.7°109.5°
C2C3N1112.0°109.4°
C3C2C16112.9°109.5°
C3C2H4106.6°109.5°
C2C3H6108.8°109.5°
C2C3H5108.8°109.5°
C3N1C4122.5°120.0°
C3N1H7118.8°120.0°
N1C3H6108.8°109.5°
N1C3H5108.8°109.5°
N1C4O1121.0°120.0°
N1C4N2118.3°120.0°
C4N1H7118.7°120.0°
O1C4N2120.7°120.0°
C4N2C5121.6°120.6°
C4N2C8123.8°120.4°
N2C5C6112.0°108.8°
C5N2C8114.5°119.0°
N2C5H9108.8°109.2°
N2C5H8108.8°110.0°
C5C6N3109.4°108.6°
C6C5H9108.8°109.6°
C6C5H8108.9°109.6°
C5C6H11109.5°109.7°
C5C6H10109.5°109.6°
C6N3C7111.0°118.8°
C6N3C9130.3°120.6°
N3C6H11109.5°109.6°
N3C6H10109.5°109.5°
N3C7C8107.8°108.7°
C7N3C9118.6°120.6°
N3C7H12109.9°109.6°
N3C7H13109.9°109.6°
C7C8N2110.8°108.6°
C8C7H12109.9°109.6°
C8C7H13109.9°109.6°
C7C8H15109.2°109.6°
C7C8H14109.2°109.7°
N3C9O2121.5°120.0°
N3C9C10119.8°120.0°
O2C9C10118.4°120.0°
C9C10C11126.9°125.0°
C9C10S2121.7°124.9°
C10C11C12109.4°115.4°
C11C10S2111.4°110.1°
C10C11H16125.3°122.3°
C11C12S1135.4°137.3°
C11C12C15114.4°113.4°
C12C11H16125.3°122.3°
C12S1C1390.5°91.4°
S1C12C15110.1°109.2°
S1C13C14113.9°110.5°
S1C13H17123.0°124.8°
C13C14C15109.6°115.8°
C14C13H17123.0°124.8°
C13C14H18125.2°122.0°
C14C15S2135.5°137.4°
C14C15C12114.2°113.0°
C15C14H18125.2°122.1°
C15S2C1090.4°91.5°
S2C15C12110.3°109.6°
C2C16C17112.0°109.5°
C2C16C18110.5°109.5°
C2C16C19111.4°109.5°
C16C2H4106.3°109.4°
C17C16C18106.9°109.4°
C17C16C19107.9°109.4°
C16C17H20109.5°109.5°
C16C17H21109.5°109.4°
C16C17H19109.4°109.5°
C18C16C19107.8°109.5°
C16C18H22109.5°109.5°
C16C18H24109.5°109.5°
C16C18H23109.5°109.5°
C16C19H25109.5°109.5°
C16C19H26109.5°109.4°
C16C19H27109.5°109.5°
N2C8H15109.1°109.6°
N2C8H14109.1°109.7°
H9C5H8109.5°109.6°
H11C6H10109.5°109.7°
H12C7H13109.4°109.7°
H15C8H14109.5°109.6°
H20C17H21109.5°109.5°
H20C17H19109.5°109.5°
H21C17H19109.4°109.5°
H2C1H1109.5°109.4°
H2C1H3109.4°109.5°
H1C1H3109.4°109.5°
H22C18H24109.4°109.5°
H22C18H23109.4°109.5°
H24C18H23109.5°109.4°
H25C19H26109.4°109.4°
H25C19H27109.5°109.5°
H26C19H27109.5°109.5°
H6C3H5109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C16128.9°120.0°
C1C2C3H4114.8°120.0°
C1C2C3N139.5°65.0°
C1C2C16H4117.7°120.0°
C1C2C16C1797.8°60.0°
C1C2C16C18143.1°60.0°
C1C2C16C1923.2°179.9°
C2C1H2H1120.0°120.0°
C2C1H2H3120.0°120.1°
C2C1H1H3120.0°120.0°
C1C2C3H680.9°175.0°
C1C2C3H5159.9°55.0°
C2C3N1H6120.4°120.0°
C2C3N1H5120.4°120.0°
C2C3N1C476.6°180.0°
C3C2C16H4116.4°120.0°
C3C2C16C1728.1°180.0°
C3C2C16C1891.1°60.0°
C3C2C16C19149.1°60.0°
C2C3N1H7103.4°0.3°
C3C2C1H2180.0°179.9°
C3C2C1H160.0°60.0°
C3C2C1H360.0°60.0°
C2C3H6H5118.8°120.0°
C3N1C4H7180.0°179.6°
C3N1C4O123.3°4.5°
C3N1C4N2155.5°175.4°
N1C3C2C16168.4°175.0°
N1C3C2H475.3°55.0°
N1C3H6H5118.9°120.1°
N1C4O1N2178.7°179.9°
N1C4N2C5165.9°4.9°
N1C4N2C816.6°174.6°
C4N1C3H6163.0°60.1°
C4N1C3H543.8°60.0°
O1C4N2C512.9°175.2°
O1C4N2C8164.6°5.3°
O1C4N1H7156.7°175.1°
C4N2C5C8177.7°179.5°
C4N2C5C6134.4°124.8°
C4N2C8C7130.9°124.7°
N2C4N1H724.5°5.0°
C4N2C5H914.1°115.5°
C4N2C5H8105.2°4.8°
C4N2C8H1510.7°4.9°
C4N2C8H14108.9°115.5°
N2C5C6H9120.4°119.4°
N2C5C6H8120.4°120.3°
N2C5C6N351.0°49.0°
C5N2C8C751.5°54.9°
N2C5H9H8118.8°120.5°
N2C5C6H1168.9°168.8°
N2C5C6H10171.0°70.6°
C5N2C8H15171.7°174.6°
C5N2C8H1468.8°65.0°
C5C6N3H11120.0°119.8°
C5C6N3H10120.0°119.7°
C5C6N3C761.1°55.2°
C5C6N3C9114.3°125.1°
C6C5N2C847.8°54.7°
C6C5H9H8118.9°120.3°
C5C6H11H10120.0°120.5°
C6N3C7C9176.0°179.7°
C6N3C7C864.6°55.5°
C6N3C9O2163.6°163.9°
C6N3C9C1022.2°16.2°
N3C6C5H9171.4°70.4°
N3C6C5H869.3°169.3°
N3C6H11H10120.0°120.4°
C6N3C7H1255.2°64.3°
C6N3C7H13175.7°175.2°
N3C7C8H12119.7°119.8°
N3C7C8H13119.8°119.7°
C7N3C9O221.3°15.9°
C7N3C9C10152.9°164.1°
N3C7C8N258.2°49.5°
C7N3C6H1158.9°175.0°
C7N3C6H10178.9°64.5°
N3C7H12H13120.8°120.4°
N3C7C8H15178.4°169.2°
N3C7C8H1462.0°70.4°
C8C7N3C9111.4°124.8°
C7C8N2H15120.2°119.7°
C7C8N2H14120.2°119.9°
C8C7H12H13120.7°120.4°
C7C8H15H14119.4°120.4°
N3C9O2C10174.3°180.0°
N3C9C10C11173.2°128.2°
N3C9C10S210.2°51.5°
C9N3C6H11125.7°5.3°
C9N3C6H105.7°115.2°
C9N3C7H12128.8°115.4°
C9N3C7H138.3°5.1°
O2C9C10C1112.4°51.8°
O2C9C10S2164.2°128.5°
C9C10C11S2176.9°179.7°
C9C10C11C12156.5°179.7°
C9C10S2C15165.7°179.7°
C9C10C11H1623.5°0.3°
C10C11C12H16180.0°180.0°
C10C11C12S1154.8°180.0°
C11C10S2C1511.4°0.0°
C10C11C12C1521.5°0.0°
C11C12S1C15176.4°180.0°
C11C12S1C13172.1°180.0°
C11C12C15C14168.9°180.0°
C11C12C15S212.9°0.0°
C12C11C10S220.4°0.0°
C12S1C13C146.9°0.0°
S1C12C15C1413.8°0.0°
S1C12C15S2164.3°180.0°
C12S1C13H17173.1°180.0°
S1C12C11H1625.2°0.0°
S1C13C14H17180.0°180.0°
S1C13C14C150.3°0.0°
C13S1C12C1511.5°0.0°
S1C13C14H18179.7°180.0°
C13C14C15H18180.0°180.0°
C13C14C15S2168.7°180.0°
C13C14C15C128.8°0.0°
C14C15S2C12177.6°180.0°
C14C15S2C10178.1°180.0°
C15C14C13H17179.6°180.0°
S2C15C14H1811.3°0.0°
C2C16C17C18121.2°120.0°
C2C16C17C19123.0°120.0°
C2C16C18C19122.0°120.0°
C2C16C17H20180.0°60.0°
C2C16C17H2160.0°60.0°
C2C16C17H1960.0°180.0°
C16C2C1H252.2°60.0°
C16C2C1H167.8°60.0°
C16C2C1H3172.2°180.0°
C2C16C18H22180.0°180.0°
C2C16C18H2460.0°60.0°
C2C16C18H2360.0°60.0°
C2C16C19H25180.0°59.9°
C2C16C19H2660.0°60.0°
C2C16C19H2760.0°180.0°
C16C2C3H648.0°55.0°
C16C2C3H571.2°65.0°
C17C16C18C19115.8°120.0°
C16C17H20H21120.0°119.9°
C16C17H20H19120.0°120.0°
C16C17H21H19119.9°120.0°
C17C16C18H2257.9°60.0°
C17C16C18H24177.8°180.0°
C17C16C18H2362.1°60.0°
C17C16C19H2556.6°60.1°
C17C16C19H2663.4°180.0°
C17C16C19H27176.6°60.0°
C17C16C2H4144.5°60.0°
C18C16C17H2058.8°60.0°
C18C16C17H2161.3°180.0°
C18C16C17H19178.8°60.0°
C16C18H22H24120.0°120.0°
C16C18H22H23120.0°120.0°
C16C18H24H23120.0°119.9°
C18C16C19H2558.6°180.0°
C18C16C19H26178.5°60.0°
C18C16C19H2761.4°60.0°
C18C16C2H425.4°180.0°
C19C16C17H2057.0°180.0°
C19C16C17H21177.0°60.0°
C19C16C17H1963.0°60.0°
C19C16C18H2258.0°60.0°
C19C16C18H2462.0°60.1°
C19C16C18H23178.0°180.0°
C16C19H25H26120.0°119.9°
C16C19H25H27120.0°120.1°
C16C19H26H27120.0°120.0°
C19C16C2H494.4°60.0°
C8N2C5H9168.2°65.0°
C8N2C5H872.5°174.7°
N2C8C7H1261.6°70.3°
N2C8C7H13178.0°169.2°
N2C8H15H14119.4°120.5°
C10S2C15C120.6°0.0°
S2C10C11H16159.6°180.0°
C15C12C11H16158.5°180.0°
C12C15C14H18171.2°180.0°
H7N1C3H617.0°120.3°
H7N1C3H5136.2°119.7°
H9C5C6H1151.4°49.4°
H9C5C6H1068.6°169.9°
H8C5C6H11170.7°70.9°
H8C5C6H1050.7°49.7°
H12C7C8H1558.6°49.4°
H12C7C8H14178.3°169.8°
H13C7C8H1561.8°71.1°
H13C7C8H1457.8°49.3°
H17C13C14H180.3°0.1°
H20C17H21H19120.0°120.1°
H2C1H1H3120.0°120.0°
H2C1C2H465.2°60.0°
H1C1C2H4174.7°179.9°
H3C1C2H454.8°60.1°
H22C18H24H23120.0°120.0°
H25C19H26H27120.0°120.0°
H4C2C3H6164.3°65.0°
H4C2C3H545.1°175.0°

224931

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