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MM1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CU1N4sing2.04Å2.04Å
CU1N7sing2.03Å2.03Å
CU1N11sing2.02Å2.02Å
CU1N14sing2.01Å2.01Å
C1C2sing1.52Å1.52Å
C1N14sing1.48Å1.48Å
C1H11Asing1.12Å1.12Å
C1H12sing1.11Å1.11Å
C2C3sing1.51Å1.51Å
C2H21sing1.11Å1.11Å
C2H22sing1.12Å1.12Å
C3N4sing1.48Å1.48Å
C3H31sing1.11Å1.11Å
C3H32sing1.12Å1.12Å
N4C5sing1.48Å1.48Å
N4HN4sing1.00Å1.00Å
C5C6sing1.50Å1.50Å
C5H51sing1.11Å1.11Å
C5H52sing1.11Å1.11Å
C6N7sing1.47Å1.47Å
C6H61sing1.12Å1.12Å
C6H62sing1.12Å1.12Å
N7C8sing1.48Å1.48Å
N7HN7sing1.00Å1.00Å
C8C9sing1.51Å1.51Å
C8H81sing1.12Å1.12Å
C8H82sing1.12Å1.12Å
C9C10sing1.51Å1.51Å
C9H91sing1.11Å1.11Å
C9H92sing1.11Å1.11Å
C10N11sing1.46Å1.46Å
C10H101sing1.12Å1.12Å
C10H102sing1.12Å1.12Å
N11C12sing1.48Å1.48Å
N11H11sing1.00Å1.00Å
C12C13sing1.52Å1.52Å
C12H121sing1.11Å1.11Å
C12H122sing1.11Å1.11Å
C13N14sing1.48Å1.48Å
C13H131sing1.12Å1.12Å
C13H132sing1.12Å1.12Å
N14H14sing1.00Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4CU1N784.8°84.8°
N4CU1N11179.0°179.0°
N4CU1N1494.7°94.7°
CU1N4C3116.3°116.3°
CU1N4C5108.3°108.3°
CU1N4HN4106.1°106.1°
N7CU1N1194.3°94.3°
N7CU1N14179.2°179.2°
CU1N7C6107.2°107.2°
CU1N7C8118.8°118.8°
CU1N7HN7105.0°105.0°
N11CU1N1486.2°86.2°
CU1N11C10114.1°114.1°
CU1N11C12108.8°108.8°
CU1N11H11108.6°108.6°
CU1N14C1114.5°114.5°
CU1N14C13107.3°107.3°
CU1N14H14108.2°108.2°
C2C1N14112.3°112.3°
C2C1H11A111.2°111.2°
C2C1H12111.2°111.2°
C1C2C3113.5°113.5°
C1C2H21110.7°110.7°
C1C2H22110.7°110.7°
N14C1H11A111.2°111.2°
N14C1H12111.2°111.2°
C1N14C13111.4°111.4°
C1N14H14103.9°103.9°
H11AC1H1299.2°99.2°
C3C2H21110.7°110.7°
C3C2H22110.7°110.7°
C2C3N4108.8°108.8°
C2C3H31112.4°112.4°
C2C3H32112.4°112.4°
H21C2H2299.6°99.6°
N4C3H31112.4°112.4°
N4C3H32112.4°112.4°
C3N4C5111.2°111.2°
C3N4HN4102.9°102.9°
H31C3H3298.0°98.0°
C5N4HN4111.9°111.9°
N4C5C6108.0°108.0°
N4C5H51112.8°112.8°
N4C5H52112.8°112.8°
C6C5H51112.8°112.8°
C6C5H52112.7°112.7°
C5C6N7109.3°109.3°
C5C6H61112.3°112.3°
C5C6H62112.3°112.3°
H51C5H5297.7°97.7°
N7C6H61112.3°112.3°
N7C6H62112.3°112.3°
C6N7C8110.6°110.6°
C6N7HN7114.1°114.1°
H61C6H6298.1°98.1°
C8N7HN7101.1°101.1°
N7C8C9109.6°109.6°
N7C8H81112.2°112.2°
N7C8H82112.2°112.2°
C9C8H81112.2°112.2°
C9C8H82112.1°112.1°
C8C9C10114.8°114.8°
C8C9H91110.2°110.2°
C8C9H92110.2°110.2°
H81C8H8298.3°98.3°
C10C9H91110.3°110.3°
C10C9H92110.3°110.3°
C9C10N11110.3°110.3°
C9C10H101111.9°111.9°
C9C10H102111.9°111.9°
H91C9H92100.0°100.0°
N11C10H101111.9°111.9°
N11C10H102111.9°111.9°
C10N11C12114.3°114.3°
C10N11H11102.3°102.3°
H101C10H10298.5°98.5°
C12N11H11108.4°108.4°
N11C12C13108.7°108.7°
N11C12H121112.5°112.5°
N11C12H122112.5°112.5°
C13C12H121112.5°112.5°
C13C12H122112.5°112.5°
C12C13N14109.9°109.9°
C12C13H131112.1°112.1°
C12C13H132112.1°112.1°
H121C12H12297.9°97.9°
N14C13H131112.1°112.1°
N14C13H132112.1°112.1°
C13N14H14111.5°111.5°
H131C13H13298.3°98.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4CU1N7N11179.5°179.5°
N4CU1N7N1452.3°52.3°
N4CU1N11N14150.7°150.7°
N4CU1N14C139.8°39.8°
CU1N4C3C259.4°59.4°
CU1N4C3C5124.5°124.5°
CU1N4C3HN4115.6°115.6°
CU1N4C3H3165.8°65.8°
CU1N4C3H32175.4°175.4°
CU1N4C5HN4116.6°116.6°
CU1N4C5C636.8°36.8°
CU1N4C5H5188.5°88.5°
CU1N4C5H52162.0°162.0°
N4CU1N7C616.6°16.6°
N4CU1N7C8142.8°142.8°
N4CU1N7HN7105.1°105.1°
N4CU1N11C1069.7°69.7°
N4CU1N11C12161.4°161.4°
N4CU1N11H1143.6°43.6°
N4CU1N14C13164.0°164.0°
N4CU1N14H1475.5°75.5°
N7CU1N11N14179.4°179.4°
N7CU1N14C112.4°12.4°
N7CU1N4C3137.4°137.4°
N7CU1N4C511.5°11.5°
N7CU1N4HN4108.8°108.8°
CU1N7C6C541.7°41.7°
CU1N7C6C8131.0°131.0°
CU1N7C6HN7115.8°115.8°
CU1N7C6H61167.0°167.0°
CU1N7C6H6283.6°83.6°
CU1N7C8HN7114.1°114.1°
CU1N7C8C952.4°52.4°
CU1N7C8H81177.6°177.6°
CU1N7C8H8272.9°72.9°
N7CU1N11C1041.1°41.1°
N7CU1N11C12170.0°170.0°
N7CU1N11H1172.2°72.2°
N7CU1N14C13111.8°111.8°
N7CU1N14H14127.7°127.7°
N11CU1N14C1139.7°139.7°
N11CU1N4C3108.8°108.8°
N11CU1N4C517.2°17.2°
N11CU1N4HN4137.5°137.5°
N11CU1N7C6163.9°163.9°
N11CU1N7C837.7°37.7°
N11CU1N7HN774.4°74.4°
CU1N11C10C962.1°62.1°
CU1N11C10C12126.0°126.0°
CU1N11C10H11117.0°117.0°
CU1N11C10H101172.7°172.7°
CU1N11C10H10263.2°63.2°
CU1N11C12H11117.9°117.9°
CU1N11C12C1334.2°34.2°
CU1N11C12H121159.5°159.5°
CU1N11C12H12291.0°91.0°
N11CU1N14C1315.5°15.5°
N11CU1N14H14105.0°105.0°
CU1N14C1C258.0°58.0°
CU1N14C1C13122.0°122.0°
CU1N14C1H14117.8°117.8°
CU1N14C1H11A176.7°176.7°
CU1N14C1H1267.2°67.2°
N14CU1N4C341.9°41.9°
N14CU1N4C5167.9°167.9°
N14CU1N4HN471.8°71.8°
N14CU1N7C668.8°68.8°
N14CU1N7C8164.9°164.9°
N14CU1N7HN752.9°52.9°
N14CU1N11C10139.5°139.5°
N14CU1N11C1210.7°10.7°
N14CU1N11H11107.1°107.1°
CU1N14C13C1238.6°38.6°
CU1N14C13H14118.4°118.4°
CU1N14C13H13186.6°86.6°
CU1N14C13H132163.9°163.9°
C2C1N14H11A125.3°125.3°
C2C1N14H12125.2°125.2°
C2C1H11AH12117.1°117.1°
C1C2C3H21125.3°125.3°
C1C2C3H22125.2°125.2°
C1C2H21H22116.6°116.6°
C1C2C3N472.9°72.9°
C1C2C3H3152.3°52.3°
C1C2C3H32161.8°161.8°
C2C1N14C13180.0°180.0°
C2C1N14H1459.8°59.8°
N14C1H11AH12117.1°117.1°
N14C1C2C373.9°73.9°
N14C1C2H21160.8°160.8°
N14C1C2H2251.3°51.3°
C1N14C13C12164.7°164.7°
C1N14C13H14115.6°115.6°
C1N14C13H13139.4°39.4°
C1N14C13H13270.1°70.1°
H11AC1C2C3160.8°160.8°
H11AC1C2H2135.5°35.5°
H11AC1C2H2274.0°74.0°
H11AC1N14C1354.7°54.7°
H11AC1N14H1465.5°65.5°
H12C1C2C351.3°51.3°
H12C1C2H2174.0°74.0°
H12C1C2H22176.6°176.6°
H12C1N14C1354.8°54.8°
H12C1N14H14175.0°175.0°
C3C2H21H22116.6°116.6°
C2C3N4H31125.3°125.3°
C2C3N4H32125.2°125.2°
C2C3H31H32118.4°118.4°
C2C3N4C5176.1°176.1°
C2C3N4HN456.2°56.2°
H21C2C3N4161.8°161.8°
H21C2C3H3172.9°72.9°
H21C2C3H3236.6°36.6°
H22C2C3N452.3°52.3°
H22C2C3H31177.6°177.6°
H22C2C3H3272.9°72.9°
N4C3H31H32118.4°118.4°
C3N4C5HN4114.4°114.4°
C3N4C5C6165.7°165.7°
C3N4C5H5140.4°40.4°
C3N4C5H5269.0°69.0°
H31C3N4C558.6°58.6°
H31C3N4HN4178.6°178.6°
H32C3N4C550.9°50.9°
H32C3N4HN469.1°69.1°
N4C5C6H51125.3°125.3°
N4C5C6H52125.3°125.3°
N4C5H51H52118.7°118.7°
N4C5C6N752.9°52.9°
N4C5C6H61178.1°178.1°
N4C5C6H6272.4°72.4°
HN4N4C5C679.8°79.8°
HN4N4C5H51154.9°154.9°
HN4N4C5H5245.4°45.4°
C6C5H51H52118.6°118.6°
C5C6N7H61125.3°125.3°
C5C6N7H62125.3°125.3°
C5C6H61H62118.2°118.2°
C5C6N7C8172.7°172.7°
C5C6N7HN774.1°74.1°
H51C5C6N772.4°72.4°
H51C5C6H6152.8°52.8°
H51C5C6H62162.3°162.3°
H52C5C6N7178.2°178.2°
H52C5C6H6156.6°56.6°
H52C5C6H6252.9°52.9°
N7C6H61H62118.2°118.2°
C6N7C8HN7121.3°121.3°
C6N7C8C9177.0°177.0°
C6N7C8H8157.8°57.8°
C6N7C8H8251.7°51.7°
H61C6N7C862.1°62.1°
H61C6N7HN751.2°51.2°
H62C6N7C847.4°47.4°
H62C6N7HN7160.6°160.6°
N7C8C9H81125.3°125.3°
N7C8C9H82125.3°125.3°
N7C8H81H82118.1°118.1°
N7C8C9C1069.4°69.4°
N7C8C9H9155.9°55.9°
N7C8C9H92165.3°165.3°
HN7N7C8C961.8°61.8°
HN7N7C8H8163.5°63.5°
HN7N7C8H82173.0°173.0°
C9C8H81H82118.1°118.1°
C8C9C10H91125.3°125.3°
C8C9C10H92125.3°125.3°
C8C9H91H92116.1°116.1°
C8C9C10N1176.9°76.9°
C8C9C10H101157.9°157.9°
C8C9C10H10248.4°48.4°
H81C8C9C10165.3°165.3°
H81C8C9H9169.4°69.4°
H81C8C9H9240.1°40.1°
H82C8C9C1055.9°55.9°
H82C8C9H91178.9°178.9°
H82C8C9H9269.4°69.4°
C10C9H91H92116.1°116.1°
C9C10N11H101125.2°125.2°
C9C10N11H102125.3°125.3°
C9C10H101H102117.8°117.8°
C9C10N11C12171.9°171.9°
C9C10N11H1154.9°54.9°
H91C9C10N1148.4°48.4°
H91C9C10H10176.9°76.9°
H91C9C10H102173.6°173.6°
H92C9C10N11157.9°157.9°
H92C9C10H10132.6°32.6°
H92C9C10H10276.9°76.9°
N11C10H101H102117.8°117.8°
C10N11C12H11113.3°113.3°
C10N11C12C13163.0°163.0°
C10N11C12H12171.7°71.7°
C10N11C12H12237.8°37.8°
H101C10N11C1246.6°46.6°
H101C10N11H1170.3°70.3°
H102C10N11C1262.9°62.9°
H102C10N11H11179.8°179.8°
N11C12C13H121125.3°125.3°
N11C12C13H122125.3°125.3°
N11C12H121H122118.4°118.4°
N11C12C13N1448.9°48.9°
N11C12C13H13176.3°76.3°
N11C12C13H132174.2°174.2°
H11N11C12C1383.7°83.7°
H11N11C12H12141.6°41.6°
H11N11C12H122151.1°151.1°
C13C12H121H122118.4°118.4°
C12C13N14H131125.3°125.3°
C12C13N14H132125.3°125.3°
C12C13H131H132118.0°118.0°
C12C13N14H1479.8°79.8°
H121C12C13N14174.2°174.2°
H121C12C13H13149.0°49.0°
H121C12C13H13260.5°60.5°
H122C12C13N1476.3°76.3°
H122C12C13H131158.4°158.4°
H122C12C13H13248.9°48.9°
N14C13H131H132118.0°118.0°
H131C13N14H14155.0°155.0°
H132C13N14H1445.5°45.5°

224931

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