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JQZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C1sing0.00Å1.35Å
N1C2sing0.00Å1.39Å
N3C5sing0.00Å1.40ÅAromatic
N3C32sing0.00Å33.44ÅAromatic
N3C14sing0.00Å1.51Å
C4C32sing0.00Å34.70ÅAromatic
C4N2doub0.00Å1.36Å
C4N4sing0.00Å1.40ÅAromatic
C5C6doub0.00Å1.39ÅAromatic
C5C7sing0.00Å1.43ÅAromatic
C6C10sing0.00Å1.40ÅAromatic
C6N4sing0.00Å1.42ÅAromatic
C7C8doub0.00Å1.41ÅAromatic
C7C15sing0.00Å1.53Å
C8C9sing0.00Å1.41ÅAromatic
C8C12sing0.00Å1.50Å
C10C9doub0.00Å1.37ÅAromatic
C13N4sing0.00Å1.46Å
C13C19sing0.00Å1.50Å
C15C17sing0.00Å1.53Å
C15C16sing0.00Å1.53Å
C15C18sing0.00Å1.55Å
C20C21sing0.00Å1.50Å
C20C19sing0.00Å1.53Å
C20O8sing0.00Å1.43Å
C21O9sing0.00Å1.41Å
C21C31sing0.00Å1.52Å
C22C14sing0.00Å1.59Å
C22C23doub0.00Å1.42Å
C22C30sing0.00Å1.41Å
C24C23sing0.00Å1.49Å
C24C25doub0.00Å1.41ÅAromatic
C24C29sing0.00Å1.38ÅAromatic
C26C25sing0.00Å1.38ÅAromatic
C26C27doub0.00Å1.38ÅAromatic
C28C27sing0.00Å1.37ÅAromatic
C28C29doub0.00Å1.40ÅAromatic
C1N2sing0.00Å1.33Å
C1O1doub0.00Å1.23Å
C2C32sing0.00Å35.81Å
C2O2doub0.00Å1.22Å
C9C11sing0.00Å1.50Å
C14C16sing0.00Å1.50Å
C19O7sing0.00Å1.42Å
O3P1sing0.00Å1.62Å
O3C31sing0.00Å1.45Å
P1O4doub0.00Å1.51Å
P1O5sing0.00Å1.50Å
P1O6sing0.00Å1.52Å
C30O10doub0.00Å1.30Å
C30O11sing0.00Å1.29Å
N1H1sing0.00Å1.00Å
C10H2sing0.00Å1.08Å
C13H3sing0.00Å1.10Å
C13H4sing0.00Å1.10Å
C17H5sing0.00Å1.10Å
C17H6sing0.00Å1.10Å
C17H7sing0.00Å1.10Å
C20H8sing0.00Å1.10Å
C21H9sing0.00Å1.10Å
C26H10sing0.00Å1.08Å
C28H11sing0.00Å1.08Å
C11H13sing0.00Å1.10Å
C11H14sing0.00Å1.10Å
C11H15sing0.00Å1.10Å
C12H16sing0.00Å1.10Å
C12H17sing0.00Å1.10Å
C12H18sing0.00Å1.10Å
C14H19sing0.00Å1.10Å
C16H20sing0.00Å1.10Å
C16H21sing0.00Å1.10Å
C18H22sing0.00Å1.10Å
C18H23sing0.00Å1.10Å
C18H24sing0.00Å1.10Å
C19H25sing0.00Å1.10Å
O5H26sing0.00Å0.95Å
O6H27sing0.00Å0.95Å
O7H28sing0.00Å0.95Å
O8H29sing0.00Å0.95Å
O9H30sing0.00Å0.95Å
C25H32sing0.00Å1.08Å
C27H33sing0.00Å1.08Å
C29H34sing0.00Å1.08Å
O11H35sing0.00Å0.95Å
C31H36sing0.00Å1.10Å
C31H37sing0.00Å1.10Å
C23C32sing0.00Å33.93Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1C2126.3°90.0°
N1C1N2120.1°90.0°
N1C1O1118.2°90.0°
C1N1H1116.9°90.0°
N1C2C32139.4°90.0°
N1C2O2121.6°90.0°
C2N1H1116.8°90.0°
C5N3C3245.9°90.0°
C5N3C14121.2°90.0°
N3C5C6119.4°90.0°
N3C5C7119.8°90.0°
C32N3C1477.1°90.0°
N3C32C43.5°90.0°
N3C32C21.2°90.0°
N3C32C233.8°90.0°
N3C14C22106.0°90.0°
N3C14C16111.1°90.0°
N3C14H19109.3°90.0°
C32C4N2145.6°90.0°
C32C4N442.8°90.0°
C4C32C23.5°90.0°
C4C32C234.2°90.0°
N2C4N4115.7°90.0°
C4N2C1117.7°90.0°
C4N4C6118.7°90.0°
C4N4C13118.2°90.0°
C6C5C7120.8°90.0°
C5C6C10118.1°90.0°
C5C6N4121.4°90.0°
C5C7C8119.0°90.0°
C5C7C15112.8°90.0°
C10C6N4120.4°90.0°
C6C10C9122.5°90.0°
C6C10H2118.8°90.0°
C6N4C13122.9°90.0°
C8C7C15128.2°90.0°
C7C8C9119.6°90.0°
C7C8C12123.1°90.0°
C7C15C17107.1°90.0°
C7C15C16108.6°90.0°
C7C15C18117.4°90.0°
C9C8C12117.4°90.0°
C8C9C10119.7°90.0°
C8C9C11121.9°90.0°
C8C12H16109.5°90.0°
C8C12H17109.5°90.0°
C8C12H18109.5°90.0°
C10C9C11118.4°90.0°
C9C10H2118.8°90.0°
N4C13C19116.6°90.0°
N4C13H3107.7°90.0°
N4C13H4107.6°90.0°
C13C19C20113.0°90.0°
C13C19O7109.7°90.0°
C19C13H3107.7°90.0°
C19C13H4107.7°90.0°
C13C19H25108.2°90.0°
C17C15C16113.5°90.0°
C17C15C18105.8°90.0°
C15C17H5109.5°90.0°
C15C17H6109.5°90.0°
C15C17H7109.5°90.0°
C16C15C18104.6°90.0°
C15C16C14111.0°90.0°
C15C16H20109.1°90.0°
C15C16H21109.1°90.0°
C15C18H22109.5°90.0°
C15C18H23109.5°90.0°
C15C18H24109.5°90.0°
C21C20C19116.5°90.0°
C21C20O8110.5°90.0°
C20C21O9110.0°90.0°
C20C21C31112.9°90.0°
C21C20H8107.1°90.0°
C20C21H9106.9°90.0°
C19C20O8107.5°90.0°
C20C19O7109.0°90.0°
C19C20H8106.9°90.0°
C20C19H25107.7°90.0°
O8C20H8108.1°90.0°
C20O8H29109.5°90.0°
O9C21C31112.0°90.0°
O9C21H9108.0°90.0°
C21O9H30109.5°90.0°
C21C31O3109.9°90.0°
C31C21H9106.7°90.0°
C21C31H36109.3°90.0°
C21C31H37109.4°90.0°
C14C22C23100.4°90.0°
C14C22C30121.5°90.0°
C22C14C16112.7°90.0°
C22C14H19108.3°90.0°
C23C22C30138.0°90.0°
C22C23C24129.4°90.0°
C22C23C3261.0°90.0°
C22C30O10113.6°90.0°
C22C30O11120.9°90.0°
C23C24C25120.7°90.0°
C23C24C29117.0°90.0°
C24C23C32101.2°90.0°
C25C24C29117.1°90.0°
C24C25C26120.9°90.0°
C24C25H32119.6°90.0°
C24C29C28122.0°90.0°
C24C29H34119.0°90.0°
C25C26C27120.4°90.0°
C25C26H10119.8°90.0°
C26C25H32119.6°90.0°
C26C27C28120.0°90.0°
C27C26H10119.8°90.0°
C26C27H33120.0°90.0°
C27C28C29119.5°90.0°
C27C28H11120.2°90.0°
C28C27H33119.9°90.0°
C29C28H11120.3°90.0°
C28C29H34119.0°90.0°
N2C1O1121.5°90.0°
C32C2O297.2°90.0°
C2C32C232.6°90.0°
C9C11H13109.5°90.0°
C9C11H14109.5°90.0°
C9C11H15109.5°90.0°
C16C14H19109.4°90.0°
C14C16H20109.1°90.0°
C14C16H21109.1°90.0°
O7C19H25109.1°90.0°
C19O7H28109.5°90.0°
P1O3C31120.1°90.0°
O3P1O4105.9°90.0°
O3P1O5107.5°90.0°
O3P1O6102.4°90.0°
O3C31H36109.4°90.0°
O3C31H37109.3°90.0°
O4P1O5112.4°90.0°
O4P1O6111.9°90.0°
O5P1O6115.7°90.0°
P1O5H26109.5°90.0°
P1O6H27109.5°90.0°
O10C30O11123.9°90.0°
C30O11H35109.5°90.0°
H3C13H4109.4°90.0°
H5C17H6109.4°90.0°
H5C17H7109.5°90.0°
H6C17H7109.4°90.0°
H13C11H14109.5°90.0°
H13C11H15109.4°90.0°
H14C11H15109.5°90.0°
H16C12H17109.5°90.0°
H16C12H18109.5°90.0°
H17C12H18109.5°90.0°
H20C16H21109.5°90.0°
H22C18H23109.5°90.0°
H22C18H24109.4°90.0°
H23C18H24109.5°90.0°
H36C31H37109.5°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N1C2H1180.0°90.0°
N1C1N2C40.4°90.0°
N1C1N2O1174.8°90.0°
C1N1C2C3224.7°90.0°
C1N1C2O2174.3°90.0°
N1C2C32N3110.8°90.0°
N1C2C32C429.7°90.0°
C2N1C1N21.4°90.0°
C2N1C1O1176.4°90.0°
N1C2C32O2163.8°90.0°
N1C2C32C2355.7°90.0°
C5N3C32C14164.7°90.0°
C5N3C32C457.3°90.0°
N3C5C6C7179.5°90.0°
N3C5C6C10177.0°90.0°
N3C5C6N40.4°90.0°
N3C5C7C8179.6°90.0°
N3C5C7C151.3°90.0°
C5N3C14C22109.3°90.0°
C5N3C32C2136.2°90.0°
C5N3C14C1613.4°90.0°
C5N3C14H19134.2°90.0°
C5N3C32C23127.0°90.0°
N3C32C4C220.1°90.0°
N3C32C4C2358.4°90.0°
N3C32C4N2163.4°90.0°
N3C32C4N4133.1°90.0°
C32N3C5C6128.2°90.0°
C32N3C5C751.3°90.0°
C32N3C14C2296.5°90.0°
N3C32C23C2286.3°90.0°
N3C32C23C24144.7°90.0°
N3C32C2C23166.5°90.0°
N3C32C2O285.4°90.0°
C32N3C14C1626.2°90.0°
C32N3C14H19147.0°90.0°
C14N3C32C4138.0°90.0°
C14N3C5C6145.7°90.0°
C14N3C5C733.8°90.0°
N3C14C16C1535.0°90.0°
N3C14C22C16121.7°90.0°
N3C14C22H19117.1°90.0°
N3C14C22C2314.4°90.0°
N3C14C22C30163.6°90.0°
C14N3C32C259.1°90.0°
N3C14C16H19120.7°90.0°
N3C14C16H20155.2°90.0°
N3C14C16H2185.2°90.0°
C14N3C32C2368.3°90.0°
C32C4N2N442.5°90.0°
C32C4N4C646.0°90.0°
C32C4N4C13128.3°90.0°
C4C32C23C22138.3°90.0°
C4C32C23C2492.7°90.0°
C32C4N2C1147.6°90.0°
C4C32C2C2385.4°90.0°
C4C32C2O2166.6°90.0°
N2C4N4C6168.1°90.0°
N2C4N4C1317.6°90.0°
C4N2C1O1175.2°90.0°
N2C4C32C2143.3°90.0°
N2C4C32C23105.0°90.0°
C4N4C6C58.0°90.0°
C4N4C6C10168.5°90.0°
C4N4C6C13174.0°90.0°
C4N4C13C1980.4°90.0°
N4C4N2C1169.9°90.0°
N4C4C32C2153.2°90.0°
C4N4C13H340.6°90.0°
C4N4C13H4158.5°90.0°
N4C4C32C23168.5°90.0°
C5C6C10N4176.6°90.0°
C6C5C7C80.1°90.0°
C6C5C7C15178.2°90.0°
C5C6C10C96.9°90.0°
C5C6N4C13166.0°90.0°
C5C6C10H2173.1°90.0°
C7C5C6C103.5°90.0°
C7C5C6N4180.0°90.0°
C5C7C8C15178.0°90.0°
C5C7C8C90.2°90.0°
C5C7C8C12179.1°90.0°
C5C7C15C1777.0°90.0°
C5C7C15C1645.9°90.0°
C5C7C15C18164.2°90.0°
C6C10C9C86.6°90.0°
C6C10C9H2180.0°90.0°
C10C6N4C1317.5°90.0°
C6C10C9C11171.9°90.0°
N4C6C10C9176.6°90.0°
C6N4C13C19105.5°90.0°
N4C6C10H23.4°90.0°
C6N4C13H3133.4°90.0°
C6N4C13H415.6°90.0°
C7C8C9C12178.9°90.0°
C7C8C9C102.9°90.0°
C8C7C15C17104.8°90.0°
C8C7C15C16132.2°90.0°
C8C7C15C1813.9°90.0°
C7C8C9C11175.6°90.0°
C7C8C12H16180.0°90.0°
C7C8C12H1760.0°90.0°
C7C8C12H1860.0°90.0°
C15C7C8C9178.2°90.0°
C15C7C8C122.9°90.0°
C7C15C17C16119.9°90.0°
C7C15C17C18126.0°90.0°
C7C15C16C18126.1°90.0°
C7C15C16C1465.2°90.0°
C7C15C17H5180.0°90.0°
C7C15C17H660.0°90.0°
C7C15C17H760.0°90.0°
C7C15C16H20174.6°90.0°
C7C15C16H2155.1°90.0°
C7C15C18H22180.0°90.0°
C7C15C18H2360.0°90.0°
C7C15C18H2460.0°90.0°
C8C9C10C11178.5°90.0°
C8C9C10H2173.4°90.0°
C8C9C11H13180.0°90.0°
C8C9C11H1460.0°90.0°
C8C9C11H1560.0°90.0°
C9C8C12H161.1°90.0°
C9C8C12H17121.1°90.0°
C9C8C12H18118.9°90.0°
C12C8C9C10176.0°90.0°
C12C8C9C115.5°90.0°
C8C12H16H17120.0°90.0°
C8C12H16H18120.0°90.0°
C8C12H17H18120.0°90.0°
C10C9C11H131.5°90.0°
C10C9C11H14118.5°90.0°
C10C9C11H15121.5°90.0°
N4C13C19H3121.0°90.0°
N4C13C19H4121.0°90.0°
N4C13C19C20179.8°90.0°
N4C13C19O757.9°90.0°
N4C13H3H4116.7°90.0°
N4C13C19H2561.1°90.0°
C13C19C20C21173.3°90.0°
C13C19C20O7122.3°90.0°
C13C19C20H25119.4°90.0°
C13C19C20O862.2°90.0°
C13C19O7H25118.3°90.0°
C19C13H3H4116.8°90.0°
C13C19C20H853.6°90.0°
C13C19O7H28180.0°90.0°
C17C15C16C18114.9°90.0°
C17C15C16C1453.9°90.0°
C15C17H5H6120.0°90.0°
C15C17H5H7120.0°90.0°
C15C17H6H7120.0°90.0°
C17C15C16H2066.4°90.0°
C17C15C16H21174.1°90.0°
C17C15C18H2260.6°90.0°
C17C15C18H2359.4°90.0°
C17C15C18H24179.4°90.0°
C15C16C14C22153.7°90.0°
C15C16C14H20120.2°90.0°
C15C16C14H21120.2°90.0°
C16C15C17H560.1°90.0°
C16C15C17H659.9°90.0°
C16C15C17H7179.9°90.0°
C15C16C14H1985.7°90.0°
C15C16H20H21119.3°90.0°
C16C15C18H2259.5°90.0°
C16C15C18H23179.6°90.0°
C16C15C18H2460.4°90.0°
C18C15C16C14168.7°90.0°
C18C15C17H554.0°90.0°
C18C15C17H6174.0°90.0°
C18C15C17H766.0°90.0°
C18C15C16H2048.5°90.0°
C18C15C16H2171.0°90.0°
C15C18H22H23120.0°90.0°
C15C18H22H24120.0°90.0°
C15C18H23H24120.0°90.0°
C21C20C19O8124.5°90.0°
C21C20C19H8119.7°90.0°
C21C20O8H8116.9°90.0°
C20C21O9C31126.4°90.0°
C20C21O9H9116.3°90.0°
C20C21C31H9117.1°90.0°
C21C20C19O751.0°90.0°
C20C21C31O3171.5°90.0°
C21C20C19H2567.3°90.0°
C21C20O8H29180.0°90.0°
C20C21O9H30146.3°90.0°
C20C21C31H3651.4°90.0°
C20C21C31H3768.5°90.0°
C19C20O8H8115.0°90.0°
C19C20C21O9172.1°90.0°
C19C20C21C3146.2°90.0°
C20C19O7H25117.4°90.0°
C20C19C13H359.2°90.0°
C20C19C13H458.7°90.0°
C19C20C21H970.9°90.0°
C20C19O7H2855.7°90.0°
C19C20O8H2951.9°90.0°
O8C20C21O949.1°90.0°
O8C20C21C3176.8°90.0°
O8C20C19O7175.5°90.0°
O8C20C21H9166.2°90.0°
O8C20C19H2557.2°90.0°
O9C21C31H9118.0°90.0°
O9C21C31O363.7°90.0°
O9C21C20H868.4°90.0°
O9C21C31H36176.2°90.0°
O9C21C31H3756.4°90.0°
C21C31O3P1110.9°90.0°
C21C31O3H36120.1°90.0°
C21C31O3H37120.1°90.0°
C31C21C20H8165.7°90.0°
C31C21O9H3019.9°90.0°
C21C31H36H37119.8°90.0°
C14C22C23C30177.5°90.0°
C14C22C23C24168.8°90.0°
C22C14C16H19120.5°90.0°
C14C22C30O1058.4°90.0°
C14C22C30O11107.7°90.0°
C22C14C16H2086.0°90.0°
C22C14C16H2133.5°90.0°
C14C22C23C3288.4°90.0°
C22C23C24C3261.6°90.0°
C22C23C24C25110.4°90.0°
C22C23C24C2995.8°90.0°
C22C23C32C282.0°90.0°
C23C22C14C16136.1°90.0°
C23C22C30O10124.5°90.0°
C23C22C30O1169.4°90.0°
C23C22C14H19102.7°90.0°
C30C22C23C248.7°90.0°
C30C22C14C1641.9°90.0°
C22C30O10O11165.6°90.0°
C30C22C14H1979.3°90.0°
C22C30O11H35164.6°90.0°
C30C22C23C3289.1°90.0°
C23C24C25C29153.7°90.0°
C23C24C25C26151.6°90.0°
C23C24C29C28152.0°90.0°
C24C23C32C2149.0°90.0°
C23C24C25H3228.4°90.0°
C23C24C29H3428.0°90.0°
C24C25C26H32180.0°90.0°
C24C25C26C270.4°90.0°
C25C24C29C282.7°90.0°
C24C25C26H10179.6°90.0°
C25C24C29H34177.3°90.0°
C25C24C23C32172.0°90.0°
C29C24C25C262.1°90.0°
C24C29C28C271.7°90.0°
C24C29C28H34180.0°90.0°
C24C29C28H11178.3°90.0°
C29C24C25H32177.9°90.0°
C29C24C23C3234.3°90.0°
C25C26C27H10180.0°90.0°
C25C26C27C280.7°90.0°
C25C26C27H33179.3°90.0°
C26C27C28H33180.0°90.0°
C26C27C28C290.1°90.0°
C26C27C28H11179.9°90.0°
C27C26C25H32179.6°90.0°
C27C28C29H11180.0°90.0°
C28C27C26H10179.3°90.0°
C27C28C29H34178.3°90.0°
C29C28C27H33179.9°90.0°
N2C1N1H1178.6°90.0°
O1C1N1H13.6°90.0°
C32C2N1H1155.3°90.0°
O2C2N1H15.7°90.0°
O2C2C32C23108.0°90.0°
C11C9C10H28.1°90.0°
C9C11H13H14120.0°90.0°
C9C11H13H15120.0°90.0°
C9C11H14H15120.0°90.0°
C14C16H20H21119.3°90.0°
O7C19C13H3178.9°90.0°
O7C19C13H463.2°90.0°
O7C19C20H868.6°90.0°
O3P1O4O5117.1°90.0°
O3P1O4O6110.8°90.0°
O3P1O5O6113.7°90.0°
O3P1O5H26116.1°90.0°
O3P1O6H27113.0°90.0°
P1O3C31H36129.0°90.0°
P1O3C31H379.1°90.0°
C31O3P1O475.3°90.0°
C31O3P1O545.0°90.0°
C31O3P1O6167.4°90.0°
O3C31C21H954.3°90.0°
O3C31H36H37119.8°90.0°
O4P1O5O6130.2°90.0°
O4P1O5H260.0°90.0°
O4P1O6H270.0°90.0°
O5P1O6H27130.5°90.0°
O6P1O5H26130.2°90.0°
O10C30O11H350.0°90.0°
H3C13C19H2560.0°90.0°
H4C13C19H25177.9°90.0°
H5C17H6H7120.0°90.0°
H8C20C21H948.7°90.0°
H8C20C19H25173.0°90.0°
H8C20O8H2963.1°90.0°
H9C21O9H3097.4°90.0°
H9C21C31H3665.7°90.0°
H9C21C31H37174.4°90.0°
H10C26C25H320.4°90.0°
H10C26C27H330.7°90.0°
H11C28C27H330.1°90.0°
H11C28C29H341.7°90.0°
H13C11H14H15120.0°90.0°
H16C12H17H18120.0°90.0°
H19C14C16H2034.5°90.0°
H19C14C16H21154.1°90.0°
H22C18H23H24120.0°90.0°
H25C19O7H2861.7°90.0°

222624

PDB entries from 2024-07-17

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