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78V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16N7doub1.32Å1.34ÅAromatic
C16N6sing1.32Å1.34ÅAromatic
N7C17sing1.33Å1.35ÅAromatic
N6C15doub1.33Å1.34ÅAromatic
C17N8sing1.38Å1.34Å
C17C14doub1.40Å1.41ÅAromatic
C15C14sing1.41Å1.38ÅAromatic
C15N4sing1.37Å1.37ÅAromatic
C14N5sing1.35Å1.39ÅAromatic
O3C11sing1.43Å1.42Å
O4C12sing1.43Å1.42Å
C10N4sing1.47Å1.46Å
C10C11sing1.54Å1.52Å
C10O2sing1.44Å1.41Å
N4C13sing1.36Å1.37ÅAromatic
C11C12sing1.54Å1.54Å
O2C9sing1.44Å1.44Å
C9C12sing1.54Å1.54Å
C9C8sing1.53Å1.52Å
N5C13doub1.30Å1.31ÅAromatic
C8N3sing1.47Å1.46Å
N3C7sing1.47Å1.46Å
C7C6sing1.53Å1.51Å
C6N2sing1.46Å1.45Å
N2C4sing1.38Å1.34Å
N1C4doub1.33Å1.33Å
N1C5sing1.33Å1.36Å
C4C3sing1.41Å1.41Å
O1C5doub1.22Å1.23Å
C5Nsing1.35Å1.40Å
C3C2doub1.35Å1.34Å
NC2sing1.36Å1.36Å
NC1sing1.47Å1.46Å
COsing1.43Å1.42Å
C1Osing1.43Å1.40Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
N3H12sing1.01Å1.00Å
C2H5sing1.08Å1.08Å
CH1sing1.09Å1.10Å
CHsing1.09Å1.10Å
CH2sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C3H6sing1.08Å1.08Å
N2H7sing0.97Å1.00Å
C7H11sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C8H14sing1.09Å1.10Å
C9H15sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
O4H20sing0.97Å0.95Å
C11H17sing1.09Å1.10Å
O3H18sing0.97Å0.95Å
C10H16sing1.09Å1.10Å
C16H22sing1.08Å1.08Å
N8H23sing0.97Å1.00Å
N8H24sing0.97Å1.00Å
C13H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N7C16N6128.9°122.4°
C16N7C17118.8°121.2°
N7C16H22115.6°118.8°
C16N6C15111.0°120.7°
N6C16H22115.5°118.8°
N7C17N8118.6°120.8°
N7C17C14117.7°118.5°
N6C15C14126.8°119.1°
N6C15N4127.4°134.9°
N8C17C14123.7°120.8°
C17N8H23109.5°120.0°
C17N8H24109.5°120.0°
C17C14C15116.8°118.2°
C17C14N5132.3°134.7°
C14C15N4105.8°106.0°
C15C14N5110.8°107.1°
C15N4C10126.4°126.3°
C15N4C13105.7°107.4°
C14N5C13103.7°109.5°
O3C11C10110.4°110.6°
O3C11C12112.0°110.5°
O3C11H17111.8°110.5°
C11O3H18109.5°114.0°
O4C12C11111.2°110.6°
O4C12C9109.9°110.5°
O4C12H19111.6°110.5°
C12O4H20109.5°114.0°
N4C10C11115.4°110.4°
N4C10O2108.8°110.4°
C10N4C13127.9°126.3°
N4C10H16109.3°110.3°
C11C10O2104.8°104.8°
C10C11C12101.9°104.1°
C10C11H17110.3°110.5°
C11C10H16108.5°110.4°
C10O2C9106.3°105.3°
O2C10H16110.1°110.5°
N4C13N5114.0°110.0°
N4C13H21123.0°125.0°
C11C12C9104.2°104.1°
C11C12H19109.9°110.5°
C12C11H17110.0°110.5°
O2C9C12105.9°104.8°
O2C9C8109.3°110.4°
O2C9H15108.2°110.4°
C12C9C8118.8°110.4°
C12C9H15107.0°110.4°
C9C12H19109.8°110.5°
C9C8N3111.8°109.4°
C9C8H13108.9°109.5°
C9C8H14108.9°109.5°
C8C9H15107.2°110.4°
N5C13H21123.0°125.0°
C8N3C7115.3°111.0°
C8N3H12108.0°111.0°
N3C8H13108.9°109.4°
N3C8H14108.9°109.5°
N3C7C6110.9°109.5°
C7N3H12108.0°111.0°
N3C7H11109.1°109.5°
N3C7H10109.1°109.5°
C7C6N2110.1°109.5°
C7C6H8109.3°109.5°
C7C6H9109.3°109.5°
C6C7H11109.1°109.5°
C6C7H10109.1°109.4°
C6N2C4123.8°120.0°
N2C6H8109.3°109.5°
N2C6H9109.3°109.5°
C6N2H7118.1°120.0°
N2C4N1115.4°120.1°
N2C4C3121.9°120.3°
C4N2H7118.1°120.0°
C4N1C5120.1°120.7°
N1C4C3122.6°119.6°
N1C5O1122.5°119.4°
N1C5N118.5°121.1°
C4C3C2116.5°119.0°
C4C3H6121.8°120.5°
O1C5N119.0°119.5°
C5NC2120.1°120.4°
C5NC1123.1°119.8°
C3C2N122.1°119.3°
C3C2H5119.0°120.4°
C2C3H6121.8°120.5°
C2NC1116.4°119.8°
NC2H5119.0°120.4°
NC1O111.5°109.5°
NC1H4109.0°109.5°
NC1H3108.9°109.4°
COC1113.6°114.0°
OCH1109.5°109.4°
OCH109.5°109.5°
OCH2109.4°109.5°
OC1H4109.0°109.5°
OC1H3109.0°109.5°
H8C6H9109.4°109.5°
H1CH109.5°109.5°
H1CH2109.5°109.4°
HCH2109.5°109.5°
H4C1H3109.5°109.5°
H11C7H10109.5°109.5°
H13C8H14109.4°109.5°
H23N8H24109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N7C16N6H22180.0°180.0°
N7C16N6C150.4°0.0°
C16N7C17N8179.1°180.0°
C16N7C17C140.5°0.0°
N6C16N7C170.1°0.0°
C16N6C15C140.5°0.0°
C16N6C15N4178.6°179.9°
N7C17N8C14179.5°180.0°
N7C17C14C150.4°0.1°
N7C17C14N5178.7°180.0°
C17N7C16H22179.9°180.0°
N7C17N8H230.0°0.0°
N7C17N8H24120.0°180.0°
N6C15C14C170.1°0.1°
N6C15C14N4179.2°179.9°
N6C15C14N5179.4°180.0°
N6C15N4C100.6°0.4°
N6C15N4C13179.4°180.0°
C15N6C16H22179.6°180.0°
N8C17C14C15179.2°180.0°
N8C17C14N51.8°0.0°
C17N8H23H24120.0°180.0°
C17C14C15N5179.3°180.0°
C17C14C15N4179.1°180.0°
C17C14N5C13179.0°180.0°
C14C17N8H23179.5°179.9°
C14C17N8H2460.5°0.0°
C14C15N4C10178.6°179.7°
C14C15N4C130.2°0.1°
C15C14N5C130.1°0.0°
N4C15C14N50.2°0.1°
C15N4C10C13178.5°179.6°
C15N4C10C11133.6°85.4°
C15N4C10O2109.0°159.3°
C15N4C13N50.2°0.1°
C15N4C10H1611.1°36.9°
C15N4C13H21179.8°179.7°
C14N5C13N40.0°0.0°
C14N5C13H21180.0°179.7°
O3C11C12O416.8°0.1°
O3C11C10N485.0°98.5°
O3C11C10C12119.2°118.7°
O3C11C10H17124.0°122.7°
O3C11C10O2155.5°142.7°
O3C11C12H17125.0°122.6°
O3C11C12C9135.1°118.8°
O3C11C12H19107.2°122.6°
O3C11C10H1637.9°23.7°
O4C12C11C10101.2°118.7°
O4C12C11C9118.3°118.7°
O4C12C11H19124.0°122.6°
O4C12C9O2125.8°142.7°
O4C12C9H19123.2°122.6°
O4C12C9C8110.9°98.4°
O4C12C9H1510.5°23.9°
O4C12C11H17141.8°122.7°
N4C10C11O2119.6°118.8°
N4C10C11H16122.9°122.2°
N4C10O2H16119.7°122.3°
N4C10C11C12155.8°142.8°
N4C10O2C9166.2°159.3°
C10N4C13N5178.6°179.7°
N4C10C11H1739.0°24.2°
C10N4C13H211.4°0.0°
C11C10O2H16116.4°118.9°
C11C10N4C1347.9°95.0°
C10C11C12H17117.0°118.7°
C11C10O2C942.3°40.5°
C10C11C12C917.1°0.0°
C10C11C12H19134.8°118.7°
C10C11O3H18180.0°176.2°
O2C10N4C1369.5°20.3°
O2C10C11C1236.3°24.0°
C10O2C9C1230.4°40.5°
C10O2C9C8159.5°159.3°
C10O2C9H1584.0°78.3°
O2C10C11H1780.5°94.6°
N4C13N5H21180.0°179.8°
C13N4C10H16170.4°142.7°
C11C12C9O26.6°23.9°
C11C12C9H19117.7°118.6°
C11C12C9C8129.9°142.8°
C11C12C9H15108.7°94.9°
C11C12O4H20180.0°65.3°
C12C11O3H1867.1°61.5°
C12C11C10H1681.2°95.0°
O2C9C12C8123.3°118.9°
O2C9C12H15115.3°118.8°
O2C9C8H15117.1°122.3°
O2C9C8N3105.8°66.5°
O2C9C8H1314.5°53.5°
O2C9C8H14133.8°173.5°
O2C9C12H19111.1°94.7°
C9O2C10H1674.1°78.4°
C12C9C8H15121.3°122.3°
C12C9C8N315.8°178.2°
C12C9C8H13136.2°61.9°
C12C9C8H14104.6°58.2°
C9C12O4H2065.1°180.0°
C9C12C11H1799.9°118.6°
C9C8N3H13120.4°120.0°
C9C8N3H14120.4°120.0°
C9C8N3C7113.2°180.0°
C9C8N3H12126.0°56.0°
C9C8H13H14118.9°120.0°
C8C9C12H1912.2°24.2°
C8N3C7H12120.9°124.0°
C8N3C7C6111.2°180.0°
C8N3C7H11128.6°60.0°
C8N3C7H109.0°60.0°
N3C8H13H14118.9°120.0°
N3C8C9H15137.1°55.9°
N3C7C6H11120.2°120.0°
N3C7C6H10120.2°120.0°
N3C7C6N2144.2°180.0°
N3C7C6H895.7°60.0°
N3C7C6H924.0°60.0°
N3C7H11H10119.4°120.0°
C7N3C8H137.2°60.0°
C7N3C8H14126.5°60.0°
C7C6N2H8120.1°120.0°
C7C6N2H9120.1°120.0°
C7C6N2C4131.2°180.0°
C7C6H8H9119.7°120.0°
C6C7N3H129.7°56.0°
C7C6N2H748.8°0.1°
C6C7H11H10119.4°120.0°
C6N2C4H7180.0°179.9°
C6N2C4N10.7°0.0°
C6N2C4C3177.3°179.2°
N2C6H8H9119.7°120.0°
N2C6C7H1123.9°60.0°
N2C6C7H1095.6°60.1°
N2C4N1C3178.1°179.2°
N2C4N1C5175.4°180.0°
N2C4C3C2174.6°179.7°
C4N2C6H8108.7°60.0°
C4N2C6H911.1°60.0°
N2C4C3H65.4°0.9°
C4N1C5O1176.6°179.4°
C4N1C5N1.2°0.5°
N1C4C3C23.3°0.5°
N1C4C3H6176.7°179.9°
N1C4N2H7179.3°180.0°
C5N1C4C32.7°0.8°
N1C5O1N177.8°179.9°
N1C5NC24.4°0.0°
N1C5NC1167.6°179.8°
C4C3C2H6180.0°179.4°
C4C3C2N0.0°0.0°
C4C3C2H5180.0°180.0°
C3C4N2H72.7°0.9°
O1C5NC2173.5°179.9°
O1C5NC114.6°0.3°
C5NC2C33.8°0.3°
C5NC2C1172.5°179.7°
C5NC1O133.5°75.4°
C5NC2H5176.2°179.7°
C5NC1H4106.2°164.6°
C5NC1H313.2°44.6°
C3C2NH5180.0°180.0°
C3C2NC1168.7°180.0°
C2NC1O38.7°104.9°
C2NC1H481.6°15.1°
C2NC1H3159.0°135.1°
NC2C3H6180.0°179.4°
NC1OC59.2°77.9°
NC1OH4120.3°120.0°
NC1OH3120.3°119.9°
C1NC2H511.3°0.0°
NC1H4H3119.1°120.0°
OCH1H120.0°120.0°
OCH1H2120.0°120.0°
OCHH2120.0°120.0°
COC1H4179.6°42.1°
COC1H361.1°162.2°
C1OCH1180.0°175.9°
C1OCH60.0°64.1°
C1OCH260.0°55.9°
OC1H4H3119.1°120.0°
H8C6N2H771.3°120.0°
H8C6C7H11144.0°180.0°
H8C6C7H1024.5°60.0°
H9C6N2H7168.9°120.1°
H9C6C7H1196.2°60.0°
H9C6C7H10144.2°180.0°
H12N3C7H11110.5°64.0°
H12N3C7H10129.9°176.0°
H12N3C8H13113.7°64.0°
H12N3C8H145.6°176.0°
H5C2C3H60.0°0.6°
H1CHH2120.0°120.0°
H13C8C9H15102.6°175.8°
H14C8C9H1516.7°64.1°
H15C9C12H19133.6°146.5°
H19C12O4H2057.0°57.4°
H19C12C11H1717.8°0.0°
H17C11O3H1856.9°61.1°
H17C11C10H16161.9°146.4°

224931

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