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Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O19S18doub1.42Å1.46Å
O20S18doub1.42Å1.41Å
S18N15sing1.66Å1.67Å
S18C21sing1.76Å1.76Å
N15C14sing1.47Å1.44Å
N15C16sing1.47Å1.47Å
C13C14sing1.53Å1.51Å
C13N12sing1.47Å1.42Å
C30C21doub1.36Å1.36ÅAromatic
C30C29sing1.39Å1.40ÅAromatic
C21C22sing1.40Å1.45ÅAromatic
C17C16sing1.53Å1.52Å
C17N12sing1.47Å1.41Å
N12C10sing1.35Å1.49Å
C29C28doub1.36Å1.40ÅAromatic
C22C23doub1.41Å1.41ÅAromatic
C22C27sing1.42Å1.36ÅAromatic
C23C24sing1.36Å1.39ÅAromatic
C28C27sing1.40Å1.40ÅAromatic
C10O11doub1.22Å1.27Å
C10N09sing1.35Å1.42Å
C27C26doub1.40Å1.44ÅAromatic
C24N25doub1.33Å1.36ÅAromatic
N09C06sing1.40Å1.41Å
C26N25sing1.31Å1.34ÅAromatic
C05C06doub1.39Å1.36ÅAromatic
C05C04sing1.38Å1.45ÅAromatic
C06C07sing1.39Å1.41ÅAromatic
C04C03doub1.38Å1.39ÅAromatic
C07CL08sing1.74Å1.75Å
C07C02doub1.38Å1.40ÅAromatic
C03C02sing1.38Å1.39ÅAromatic
C02CL01sing1.74Å1.78Å
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C17H3sing1.09Å1.10Å
C17H4sing1.09Å1.10Å
C24H5sing1.08Å1.08Å
C26H6sing1.08Å1.08Å
C28H7sing1.08Å1.08Å
C03H8sing1.08Å1.08Å
C04H9sing1.08Å1.08Å
C05H10sing1.08Å1.08Å
N09H11sing0.97Å1.00Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C23H16sing1.08Å1.08Å
C29H17sing1.08Å1.08Å
C30H18sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O19S18O20105.6°123.2°
O19S18N15109.6°106.4°
O19S18C21109.2°106.4°
O20S18N15110.3°106.4°
O20S18C21113.8°106.4°
N15S18C21108.3°107.2°
S18N15C14117.9°120.6°
S18N15C16121.6°120.7°
S18C21C30117.8°120.3°
S18C21C22122.8°120.3°
C14N15C16116.1°118.7°
N15C14C13108.7°108.6°
N15C14H12109.7°109.7°
N15C14H13109.6°109.8°
N15C16C17110.1°108.7°
N15C16H14109.3°109.6°
N15C16H15109.3°109.5°
C14C13N12108.5°108.6°
C14C13H1109.7°109.6°
C14C13H2109.7°109.6°
C13C14H12109.6°109.6°
C13C14H13109.7°109.6°
C13N12C17116.7°118.8°
C13N12C10120.7°120.6°
N12C13H1109.7°109.6°
N12C13H2109.7°109.6°
C21C30C29120.7°121.0°
C30C21C22119.3°119.5°
C21C30H18119.6°119.4°
C30C29C28120.0°121.1°
C30C29H17120.0°119.5°
C29C30H18119.6°119.5°
C21C22C23123.0°122.2°
C21C22C27119.7°119.6°
C16C17N12108.5°108.7°
C16C17H3109.7°109.6°
C16C17H4109.7°109.6°
C17C16H14109.3°109.6°
C17C16H15109.3°109.6°
C17N12C10122.6°120.6°
N12C17H3109.7°109.7°
N12C17H4109.7°109.6°
N12C10O11120.4°120.0°
N12C10N09118.3°120.0°
C29C28C27119.7°119.5°
C29C28H7120.2°120.2°
C28C29H17120.0°119.4°
C23C22C27117.3°118.2°
C22C23C24120.5°118.7°
C22C23H16119.8°120.6°
C22C27C28120.5°119.4°
C22C27C26120.8°118.6°
C23C24N25121.0°121.9°
C23C24H5119.5°119.1°
C24C23H16119.7°120.7°
C28C27C26118.8°122.0°
C27C28H7120.2°120.3°
O11C10N09121.2°120.0°
C10N09C06120.8°120.0°
C10N09H11119.6°120.0°
C27C26N25120.2°119.9°
C27C26H6119.9°120.1°
C24N25C26120.3°122.8°
N25C24H5119.5°119.1°
N09C06C05121.8°120.1°
N09C06C07118.1°120.1°
C06N09H11119.6°120.0°
N25C26H6119.9°120.0°
C06C05C04119.6°120.0°
C05C06C07120.1°119.9°
C06C05H10120.2°120.1°
C05C04C03120.3°120.1°
C05C04H9119.8°120.0°
C04C05H10120.2°120.0°
C06C07CL08120.1°120.1°
C06C07C02120.0°119.9°
C04C03C02118.9°120.1°
C04C03H8120.5°119.9°
C03C04H9119.9°119.9°
CL08C07C02119.8°120.0°
C07C02C03121.0°120.0°
C07C02CL01116.8°120.0°
C03C02CL01122.2°120.0°
C02C03H8120.5°119.9°
H1C13H2109.5°109.8°
H3C17H4109.5°109.7°
H12C14H13109.5°109.6°
H14C16H15109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O19S18O20N15118.3°123.1°
O19S18O20C21119.8°122.9°
O19S18N15C21119.0°113.5°
O19S18N15C1452.6°17.0°
O19S18N15C16151.7°163.1°
O19S18C21C3026.5°132.3°
O19S18C21C22154.0°47.3°
O20S18N15C21125.2°113.5°
O20S18N15C14168.3°150.0°
O20S18N15C1635.9°30.1°
O20S18C21C30144.2°0.6°
O20S18C21C2236.4°179.7°
S18N15C14C16157.1°179.8°
S18N15C14C13149.1°124.7°
N15S18C21C3092.7°114.2°
N15S18C21C2286.7°66.2°
S18N15C16C17151.9°124.7°
S18N15C14H1229.3°5.0°
S18N15C14H1391.0°115.5°
S18N15C16H1488.0°115.6°
S18N15C16H1531.8°4.9°
C21S18N15C1466.5°96.5°
C21S18N15C1689.3°83.3°
S18C21C30C22179.5°179.6°
S18C21C30C29179.9°179.7°
S18C21C22C230.1°0.1°
S18C21C22C27179.9°180.0°
S18C21C30H180.1°0.3°
N15C14C13H12119.9°119.8°
N15C14C13H13119.9°119.9°
N15C14C13N1254.1°49.4°
C14N15C16C1751.9°55.5°
N15C14C13H165.7°70.3°
N15C14C13H2174.0°169.1°
N15C14H12H13120.3°120.6°
C14N15C16H1468.2°64.3°
C14N15C16H15172.0°175.2°
C16N15C14C1353.8°55.5°
N15C16C17H14120.1°119.8°
N15C16C17H15120.1°119.7°
N15C16C17N1249.6°49.5°
N15C16C17H3169.5°169.3°
N15C16C17H470.2°70.3°
C16N15C14H12173.7°175.2°
C16N15C14H1366.1°64.4°
N15C16H14H15119.7°120.3°
C14C13N12H1119.9°119.8°
C14C13N12H2119.8°119.7°
C14C13N12C1761.0°55.0°
C14C13N12C10118.0°124.7°
C14C13H1H2120.4°120.4°
C13C14H12H13120.3°120.3°
C13N12C17C1658.3°55.0°
C13N12C17C10179.0°179.7°
C13N12C10O110.0°174.6°
C13N12C10N09179.5°5.7°
N12C13H1H2120.5°120.4°
C13N12C17H3178.2°174.8°
C13N12C17H461.5°64.8°
N12C13C14H12174.0°169.2°
N12C13C14H1365.7°70.5°
C21C30C29H18180.0°180.0°
C21C30C29C280.3°0.5°
C30C21C22C23179.3°179.8°
C30C21C22C270.6°0.4°
C21C30C29H17179.7°179.7°
C29C30C21C220.5°0.1°
C30C29C28H17180.0°179.2°
C30C29C28C270.2°0.8°
C30C29C28H7179.8°179.8°
C21C22C23C27180.0°179.8°
C21C22C23C24179.5°179.9°
C21C22C27C280.5°0.1°
C21C22C27C26179.8°179.9°
C21C22C23H160.5°0.1°
C22C21C30H18179.5°179.9°
C16C17N12H3119.8°119.8°
C16C17N12H4119.8°119.7°
C16C17N12C10120.6°124.8°
C16C17H3H4120.5°120.4°
C17C16H14H15119.7°120.5°
C17N12C10O11179.0°5.1°
C17N12C10N090.5°174.6°
C17N12C13H158.9°64.8°
C17N12C13H2179.2°174.7°
N12C17H3H4120.5°120.4°
N12C17C16H1470.5°70.3°
N12C17C16H15169.7°169.1°
N12C10O11N09179.5°179.7°
N12C10N09C06179.1°172.9°
C10N12C13H1122.2°115.5°
C10N12C13H21.9°5.1°
C10N12C17H30.8°5.0°
C10N12C17H4119.5°115.5°
N12C10N09H110.9°7.0°
C29C28C27C220.3°0.5°
C29C28C27H7180.0°179.5°
C29C28C27C26180.0°179.5°
C28C29C30H18179.7°179.5°
C22C23C24H16180.0°179.9°
C23C22C27C28179.4°180.0°
C23C22C27C260.3°0.1°
C22C23C24N250.6°0.0°
C22C23C24H5179.4°180.0°
C27C22C23C240.5°0.1°
C22C27C28C26179.7°180.0°
C22C27C26N250.0°0.0°
C22C27C26H6180.0°179.9°
C22C27C28H7179.7°179.9°
C27C22C23H16179.5°180.0°
C23C24N25H5180.0°179.9°
C23C24N25C260.3°0.1°
C28C27C26N25179.7°180.0°
C28C27C26H60.4°0.0°
C27C28C29H17179.8°180.0°
O11C10N09C061.4°6.8°
O11C10N09H11178.6°173.2°
C10N09C06H11180.0°180.0°
C10N09C06C0553.8°17.5°
C10N09C06C07127.2°162.8°
C27C26N25C240.0°0.1°
C27C26N25H6180.0°179.9°
C26C27C28H70.0°0.0°
C24N25C26H6180.0°180.0°
N25C24C23H16179.4°179.9°
N09C06C05C07178.9°179.7°
N09C06C05C04179.2°180.0°
N09C06C07CL081.6°0.2°
N09C06C07C02179.2°179.8°
N09C06C05H100.8°0.4°
C26N25C24H5179.7°180.0°
C06C05C04H10180.0°179.6°
C06C05C04C030.4°0.0°
C05C06C07CL08179.5°179.9°
C05C06C07C020.3°0.5°
C06C05C04H9179.5°179.9°
C05C06N09H11126.2°162.4°
C04C05C06C070.3°0.3°
C05C04C03H9180.0°179.9°
C05C04C03C020.5°0.1°
C05C04C03H8179.5°180.0°
C06C07CL08C02179.2°179.6°
C06C07C02C030.4°0.5°
C06C07C02CL01179.5°179.7°
C07C06C05H10179.7°179.9°
C07C06N09H1152.7°17.2°
C04C03C02C070.5°0.2°
C04C03C02H8180.0°179.9°
C04C03C02CL01179.5°180.0°
C03C04C05H10179.6°179.7°
CL08C07C02C03179.6°180.0°
CL08C07C02CL011.4°0.2°
C07C02C03CL01179.0°179.8°
C07C02C03H8179.5°179.8°
C02C03C04H9179.4°180.0°
CL01C02C03H80.5°0.0°
H1C13C14H1254.2°49.5°
H1C13C14H13174.4°169.8°
H2C13C14H1266.1°71.1°
H2C13C14H1354.1°49.2°
H3C17C16H1449.3°49.5°
H3C17C16H1570.5°71.1°
H4C17C16H14169.7°170.0°
H4C17C16H1549.9°49.4°
H5C24C23H160.6°0.0°
H7C28C29H170.2°0.5°
H8C03C04H90.5°0.1°
H9C04C05H100.5°0.3°
H17C29C30H180.2°0.2°

222415

PDB entries from 2024-07-10

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