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16T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O9C8doub1.22Å1.23Å
N7C8sing1.35Å1.39Å
N7C5sing1.35Å1.38Å
C8C2sing1.42Å1.49Å
O6C5doub1.22Å1.22Å
C5N4sing1.35Å1.38Å
C2C1sing1.51Å1.48Å
C2C3doub1.35Å1.33Å
CL1C30sing1.74Å1.72Å
N4C3sing1.37Å1.37Å
N4C10sing1.46Å1.44Å
C30C29doub1.38Å1.38ÅAromatic
C30C31sing1.38Å1.38ÅAromatic
C29C28sing1.38Å1.38ÅAromatic
C10C15sing1.53Å1.50Å
C10C11sing1.53Å1.52Å
C31C26doub1.39Å1.38ÅAromatic
C28C27doub1.38Å1.38ÅAromatic
C15N14sing1.47Å1.49Å
C11C12sing1.53Å1.52Å
O18S16doub1.42Å1.45Å
C26C27sing1.39Å1.38ÅAromatic
C26O25sing1.36Å1.39Å
N14S16sing1.66Å1.71Å
N14C13sing1.47Å1.50Å
C12C13sing1.53Å1.52Å
O25C23sing1.36Å1.38Å
S16C19sing1.76Å1.78Å
S16O17doub1.42Å1.45Å
C24C23doub1.39Å1.38ÅAromatic
C24C19sing1.38Å1.38ÅAromatic
C23C22sing1.39Å1.38ÅAromatic
C19C20doub1.38Å1.38ÅAromatic
C22O33sing1.36Å1.37Å
C22C21doub1.39Å1.38ÅAromatic
C20C21sing1.38Å1.38ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C3H4sing1.08Å1.08Å
N7H5sing0.97Å1.00Å
C10H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C20H15sing1.08Å1.08Å
C21H16sing1.08Å1.08Å
C24H17sing1.08Å1.08Å
C27H18sing1.08Å1.08Å
C28H19sing1.08Å1.08Å
C29H20sing1.08Å1.08Å
C31H21sing1.08Å1.08Å
O33H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O9C8N7123.1°120.3°
O9C8C2121.8°120.3°
C8N7C5127.0°120.3°
N7C8C2115.0°119.4°
C8N7H5116.5°119.9°
N7C5O6122.2°119.6°
N7C5N4114.7°120.9°
C5N7H5116.4°119.8°
C8C2C1121.3°120.5°
C8C2C3117.1°119.1°
O6C5N4123.1°119.5°
C5N4C3121.9°120.6°
C5N4C10117.3°119.7°
C1C2C3121.6°120.4°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C2C3N4124.2°119.7°
C2C3H4117.9°120.2°
CL1C30C29122.5°119.9°
CL1C30C31117.4°120.0°
C3N4C10120.8°119.7°
N4C3H4117.9°120.2°
N4C10C15111.7°109.5°
N4C10C11113.9°109.5°
N4C10H6106.4°109.5°
C29C30C31120.2°120.1°
C30C29C28119.2°120.1°
C30C29H20120.4°120.0°
C30C31C26120.7°119.9°
C30C31H21119.6°120.1°
C29C28C27120.9°120.1°
C29C28H19119.5°119.9°
C28C29H20120.4°120.0°
C15C10C11112.9°109.3°
C10C15N14105.7°108.8°
C15C10H6105.7°109.5°
C10C15H13110.4°109.5°
C10C15H14110.4°109.6°
C10C11C12112.3°109.6°
C11C10H6105.5°109.5°
C10C11H7108.8°109.5°
C10C11H8108.8°109.5°
C31C26C27119.5°119.9°
C31C26O25115.2°120.0°
C26C31H21119.6°120.0°
C28C27C26119.5°120.0°
C28C27H18120.2°120.0°
C27C28H19119.6°120.0°
C15N14S16115.3°120.6°
C15N14C13112.6°118.8°
N14C15H13110.4°109.6°
N14C15H14110.4°109.6°
C11C12C13110.7°109.3°
C12C11H7108.8°109.5°
C12C11H8108.7°109.4°
C11C12H9109.1°109.4°
C11C12H10109.2°109.5°
O18S16N14107.2°106.4°
O18S16C19105.7°106.4°
O18S16O17124.2°123.2°
C27C26O25125.2°120.1°
C26C27H18120.2°120.1°
C26O25C23120.3°118.0°
S16N14C13117.6°120.6°
N14S16C19100.6°107.2°
N14S16O17107.3°106.4°
N14C13C12108.2°108.8°
N14C13H11109.8°109.7°
N14C13H12109.8°109.7°
C13C12H9109.1°109.5°
C13C12H10109.2°109.6°
C12C13H11109.8°109.5°
C12C13H12109.8°109.6°
O25C23C24119.3°120.1°
O25C23C22120.7°120.1°
C19S16O17109.5°106.4°
S16C19C24119.0°119.9°
S16C19C20118.9°119.9°
C23C24C19118.5°120.0°
C24C23C22119.9°119.8°
C23C24H17120.7°120.0°
C24C19C20122.1°120.2°
C19C24H17120.7°120.0°
C23C22O33120.7°120.1°
C23C22C21120.9°119.8°
C19C20C21118.8°120.2°
C19C20H15120.6°120.0°
O33C22C21118.4°120.1°
C22O33H22109.5°114.0°
C22C21C20119.7°120.0°
C22C21H16120.1°120.0°
C21C20H15120.6°119.9°
C20C21H16120.1°120.0°
H1C1H2109.5°109.4°
H1C1H3109.5°109.4°
H2C1H3109.5°109.5°
H7C11H8109.4°109.4°
H9C12H10109.5°109.5°
H11C13H12109.5°109.5°
H13C15H14109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O9C8N7C2179.5°179.5°
O9C8N7C5179.9°180.0°
O9C8C2C10.4°0.3°
O9C8C2C3178.8°180.0°
O9C8N7H50.1°0.5°
C8N7C5H5180.0°179.5°
C8N7C5O6178.6°179.8°
C8N7C5N41.6°0.2°
N7C8C2C1179.1°179.8°
N7C8C2C31.6°0.5°
C5N7C8C20.6°0.5°
N7C5O6N4179.8°180.0°
N7C5N4C32.8°0.1°
N7C5N4C10176.6°180.0°
C8C2C1C3179.2°179.7°
C8C2C3N40.5°0.2°
C8C2C1H1180.0°90.3°
C8C2C1H260.0°29.7°
C8C2C1H360.0°149.7°
C8C2C3H4179.5°179.7°
C2C8N7H5179.4°180.0°
O6C5N4C3177.4°179.9°
O6C5N4C103.2°0.0°
O6C5N7H51.4°0.3°
C5N4C3C21.9°0.0°
C5N4C3C10179.4°179.9°
C5N4C10C15103.0°60.0°
C5N4C10C11127.7°59.9°
C5N4C3H4178.1°180.0°
N4C5N7H5178.4°179.7°
C5N4C10H611.9°179.9°
C1C2C3N4179.8°180.0°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.1°
C2C1H2H3120.0°120.1°
C1C2C3H40.2°0.0°
C2C3N4H4180.0°180.0°
C2C3N4C10177.5°180.0°
C3C2C1H10.8°90.0°
C3C2C1H2119.2°150.0°
C3C2C1H3120.8°30.0°
CL1C30C29C31179.0°179.8°
CL1C30C29C28178.8°179.9°
CL1C30C31C26178.9°179.7°
CL1C30C29H201.2°0.0°
CL1C30C31H211.1°0.2°
C3N4C10C1577.6°120.0°
C3N4C10C1151.7°120.2°
C3N4C10H6167.6°0.1°
N4C10C15C11129.9°120.0°
N4C10C15H6115.3°120.1°
N4C10C11H6116.4°120.1°
N4C10C15N14173.2°174.5°
N4C10C11C12178.9°178.7°
C10N4C3H42.5°0.1°
N4C10C11H758.5°58.6°
N4C10C11H860.6°61.4°
N4C10C15H1367.4°54.8°
N4C10C15H1453.8°65.6°
C30C29C28H20180.0°179.9°
C29C30C31C260.2°0.5°
C30C29C28C270.2°0.0°
C30C29C28H19179.8°180.0°
C29C30C31H21179.9°180.0°
C31C30C29C280.2°0.3°
C30C31C26H21180.0°179.5°
C30C31C26C270.2°0.5°
C30C31C26O25178.6°179.8°
C31C30C29H20179.8°179.8°
C29C28C27H19180.0°180.0°
C29C28C27C260.2°0.0°
C29C28C27H18179.8°180.0°
C15C10C11H6114.9°119.9°
C10C15N14H13119.4°119.7°
C10C15N14H14119.4°119.8°
C15C10C11C1252.4°61.3°
C10C15N14S16156.6°126.4°
C10C15N14C1364.6°53.6°
C15C10C11H7172.8°178.6°
C15C10C11H868.1°58.6°
C10C15H13H14121.7°120.3°
C11C10C15N1456.9°54.6°
C10C11C12H7120.4°120.1°
C10C11C12H8120.4°120.0°
C10C11C12C1350.0°61.3°
C10C11H7H8118.7°120.0°
C10C11C12H970.2°58.6°
C10C11C12H10170.2°178.7°
C11C10C15H1362.5°65.2°
C11C10C15H14176.3°174.4°
C31C26C27C280.2°0.2°
C31C26C27O25178.3°179.7°
C31C26O25C23151.8°90.3°
C31C26C27H18179.8°179.7°
C28C27C26H18180.0°179.9°
C28C27C26O25178.4°179.9°
C27C28C29H20179.8°179.9°
C15N14S16O1847.5°156.4°
C15N14S16C13136.7°180.0°
C15N14C13C1264.8°53.6°
C15N14S16C1962.7°90.0°
C15N14S16O17177.1°23.5°
N14C15C10H657.9°65.3°
C15N14C13H1155.0°173.4°
C15N14C13H12175.4°66.2°
N14C15H13H14121.8°120.4°
C11C12C13N1454.7°54.6°
C11C12C13H9120.2°119.9°
C11C12C13H10120.2°120.0°
C12C11C10H662.6°58.6°
C12C11H7H8118.7°119.8°
C11C12H9H10119.4°120.0°
C11C12C13H1165.0°174.4°
C11C12C13H12174.5°65.4°
O18S16N14C19110.2°113.6°
O18S16N14O17135.4°132.9°
O18S16N14C13175.9°23.6°
O18S16C19O17135.9°133.0°
O18S16C19C2417.1°23.2°
O18S16C19C20163.4°156.5°
C27C26O25C2329.9°90.0°
C26C27C28H19179.8°180.0°
C27C26C31H21179.9°180.0°
C26O25C23C2485.5°0.6°
C26O25C23C2298.0°179.7°
O25C26C27H181.5°0.0°
O25C26C31H211.4°0.3°
S16N14C13C12157.4°126.4°
N14S16C19O17112.8°113.5°
N14S16C19C2494.3°90.3°
N14S16C19C2085.2°90.0°
S16N14C13H1182.8°6.6°
S16N14C13H1237.7°113.8°
S16N14C15H1384.0°113.9°
S16N14C15H1437.2°6.6°
N14C13C12H11119.8°119.8°
N14C13C12H12119.8°120.0°
C13N14S16C1973.9°90.0°
C13N14S16O1740.5°156.5°
N14C13C12H965.4°65.3°
N14C13C12H10174.9°174.6°
N14C13H11H12120.6°120.5°
C13N14C15H1354.8°66.1°
C13N14C15H14176.0°173.4°
C13C12C11H7170.4°178.6°
C13C12C11H870.4°58.7°
C13C12H9H10119.4°120.2°
C12C13H11H12120.6°120.2°
O25C23C24C22176.4°179.7°
O25C23C24C19178.4°179.8°
O25C23C22O332.9°0.1°
O25C23C22C21177.1°180.0°
O25C23C24H171.6°0.3°
S16C19C24C23177.4°179.7°
S16C19C24C20179.4°179.7°
S16C19C20C21178.6°180.0°
S16C19C20H151.4°0.1°
S16C19C24H172.6°0.3°
O17S16C19C24153.0°156.2°
O17S16C19C2027.6°23.5°
C23C24C19H17180.0°179.5°
C23C24C19C202.0°0.6°
C24C23C22O33179.3°179.8°
C24C23C22C210.7°0.3°
C19C24C23C222.0°0.6°
C24C19C20C210.8°0.3°
C24C19C20H15179.2°179.8°
C23C22O33C21180.0°179.9°
C23C22C21C200.5°0.0°
C23C22C21H16179.4°180.0°
C22C23C24H17178.0°180.0°
C23C22O33H22180.0°90.1°
C19C20C21C220.5°0.1°
C19C20C21H15180.0°179.9°
C19C20C21H16179.5°179.9°
C20C19C24H17177.9°179.9°
O33C22C21C20179.4°180.0°
O33C22C21H160.6°0.0°
C22C21C20H16180.0°180.0°
C22C21C20H15179.5°180.0°
C21C22O33H220.0°90.0°
H1C1H2H3120.0°119.9°
H6C10C11H757.9°61.5°
H6C10C11H8177.0°178.6°
H6C10C15H13177.3°174.9°
H6C10C15H1461.6°54.5°
H7C11C12H950.3°61.5°
H7C11C12H1069.3°58.5°
H8C11C12H9169.4°178.7°
H8C11C12H1049.8°61.3°
H9C12C13H11174.8°54.6°
H9C12C13H1254.4°174.7°
H10C12C13H1155.2°65.6°
H10C12C13H1265.2°54.6°
H15C20C21H160.5°0.0°
H18C27C28H190.2°0.0°
H19C28C29H200.2°0.1°

226262

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