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44L

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N6C6sing1.38Å1.36Å
C6N1doub1.33Å1.35ÅAromatic
C6C5sing1.41Å1.39ÅAromatic
CAOSAYsing1.84Å1.77Å
CAOCBFsing1.54Å1.52Å
SAYCBHsing1.85Å1.76Å
N1C2sing1.32Å1.34ÅAromatic
N7C5sing1.35Å1.35ÅAromatic
N7C8doub1.30Å1.36ÅAromatic
C5C4doub1.41Å1.39ÅAromatic
NATCBFsing1.47Å1.46Å
NATCBAsing1.34Å1.34Å
OACCBAdoub1.22Å1.23Å
CBFCBIsing1.53Å1.54Å
C2N3doub1.32Å1.34ÅAromatic
C8N9sing1.36Å1.35ÅAromatic
CBANAUsing1.34Å1.34Å
C4N3sing1.33Å1.35ÅAromatic
C4N9sing1.37Å1.33ÅAromatic
CBHCBIsing1.54Å1.53Å
CBHCAKsing1.53Å1.52Å
N9CBGsing1.47Å1.49Å
CBINAUsing1.47Å1.46Å
CAKCAIsing1.53Å1.52Å
CBGCAMsing1.54Å1.54Å
CBGOAXsing1.44Å1.44Å
CAMCALsing1.55Å1.52Å
CAMF1sing1.40Å1.38Å
CAICAHsing1.53Å1.53Å
CAHCAJsing1.53Å1.54Å
CALOALsing1.43Å1.44Å
CALCBEsing1.55Å1.53Å
OAXCBEsing1.44Å1.43Å
CBECANsing1.53Å1.53Å
CANNAWsing1.46Å1.46Å
CAJCAZsing1.51Å1.53Å
OABCAZdoub1.21Å1.22Å
CAZNAVsing1.35Å1.34Å
NAWSBKsing1.66Å1.61Å
NAVSBKsing1.66Å1.61Å
SBKOADdoub1.42Å1.45Å
SBKOAEdoub1.42Å1.44Å
N6H1sing0.97Å1.00Å
N6H2sing0.97Å1.00Å
C8H3sing1.08Å1.08Å
CBIH4sing1.09Å1.10Å
NAUH5sing0.97Å1.00Å
NATH6sing0.97Å1.00Å
CBFH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CBHH10sing1.09Å1.10Å
CAKH11sing1.09Å1.10Å
CAKH12sing1.09Å1.10Å
CAIH13sing1.09Å1.10Å
CAIH14sing1.09Å1.10Å
CAHH15sing1.09Å1.10Å
CAHH16sing1.09Å1.10Å
CAJH17sing1.09Å1.10Å
CAJH18sing1.09Å1.10Å
NAVH19sing0.97Å1.00Å
NAWH20sing0.97Å1.00Å
CANH21sing1.09Å1.10Å
CANH22sing1.09Å1.10Å
CBEH23sing1.09Å1.10Å
CALH24sing1.09Å1.10Å
OALH25sing0.97Å0.95Å
CAMH26sing1.09Å1.10Å
CBGH27sing1.09Å1.10Å
C2H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N6C6N1119.4°120.8°
N6C6C5122.0°120.7°
C6N6H1109.5°120.0°
C6N6H2109.5°120.0°
N1C6C5118.6°118.4°
C6N1C2121.3°121.2°
C6C5N7134.2°134.7°
C6C5C4118.8°118.1°
SAYCAOCBF105.1°102.7°
CAOSAYCBH94.6°94.9°
SAYCAOH8110.5°110.8°
SAYCAOH9110.5°110.8°
CAOCBFNAT109.7°109.2°
CAOCBFCBI109.9°112.4°
CAOCBFH7110.9°110.5°
CBFCAOH8110.5°110.8°
CBFCAOH9110.5°110.7°
SAYCBHCBI103.1°102.3°
SAYCBHCAK111.4°110.8°
SAYCBHH10107.0°110.7°
N1C2N3121.4°122.5°
N1C2H28119.3°118.7°
C5N7C8107.7°109.5°
N7C5C4107.0°107.2°
N7C8N9109.0°109.9°
N7C8H3125.5°125.0°
C5C4N3120.1°119.1°
C5C4N9108.4°106.0°
CBFNATCBA110.6°109.0°
NATCBFCBI103.8°104.0°
CBFNATH6124.7°125.5°
NATCBFH7111.7°110.3°
NATCBAOAC125.4°123.0°
NATCBANAU110.9°113.9°
CBANATH6124.7°125.5°
OACCBANAU123.8°123.1°
CBFCBICBH110.6°112.7°
CBFCBINAU102.5°104.0°
CBFCBIH4110.2°110.2°
CBICBFH7110.7°110.3°
C2N3C4119.7°120.7°
N3C2H28119.3°118.8°
C8N9C4107.9°107.4°
C8N9CBG128.2°126.3°
N9C8H3125.5°125.0°
CBANAUCBI111.9°109.0°
CBANAUH5124.1°125.5°
N3C4N9131.5°134.9°
C4N9CBG123.9°126.3°
CBICBHCAK115.3°110.9°
CBHCBINAU111.7°109.2°
CBHCBIH4110.3°110.2°
CBICBHH10109.8°110.9°
CBHCAKCAI110.4°109.5°
CAKCBHH10109.8°110.9°
CBHCAKH11109.2°109.5°
CBHCAKH12109.3°109.5°
N9CBGCAM114.5°109.8°
N9CBGOAX107.2°109.9°
N9CBGH27109.5°109.9°
NAUCBIH4111.4°110.3°
CBINAUH5124.1°125.5°
CAKCAICAH112.6°109.4°
CAICAKH11109.2°109.5°
CAICAKH12109.2°109.5°
CAKCAIH13108.7°109.5°
CAKCAIH14108.7°109.4°
CAMCBGOAX106.5°107.3°
CBGCAMCAL102.6°104.2°
CBGCAMF1107.1°110.4°
CBGCAMH26111.9°110.7°
CAMCBGH27108.9°109.9°
CBGOAXCBE109.6°107.0°
OAXCBGH27110.2°110.1°
CALCAMF1108.0°110.5°
CAMCALOAL115.7°110.9°
CAMCALCBE101.7°102.1°
CAMCALH24109.1°110.9°
CALCAMH26112.1°110.6°
F1CAMH26114.4°110.4°
CAICAHCAJ111.4°109.4°
CAHCAIH13108.7°109.5°
CAHCAIH14108.7°109.5°
CAICAHH15109.0°109.5°
CAICAHH16109.0°109.4°
CAHCAJCAZ110.1°109.4°
CAJCAHH15109.0°109.5°
CAJCAHH16109.0°109.5°
CAHCAJH17109.3°109.5°
CAHCAJH18109.3°109.4°
OALCALCBE110.6°110.9°
OALCALH24110.3°110.8°
CALOALH25109.5°114.0°
CALCBEOAX105.1°103.6°
CALCBECAN115.5°110.6°
CALCBEH23108.0°110.6°
CBECALH24109.1°110.9°
OAXCBECAN111.1°110.6°
OAXCBEH23109.2°110.6°
CBECANNAW108.9°109.5°
CBECANH21109.6°109.5°
CBECANH22109.6°109.4°
CANCBEH23107.9°110.6°
CANNAWSBK120.4°120.0°
CANNAWH20106.7°120.1°
NAWCANH21109.6°109.5°
NAWCANH22109.6°109.5°
CAJCAZOAB121.3°120.0°
CAJCAZNAV117.2°120.0°
CAZCAJH17109.3°109.5°
CAZCAJH18109.3°109.5°
OABCAZNAV121.5°120.0°
CAZNAVSBK122.2°120.0°
CAZNAVH19118.9°120.0°
NAWSBKNAV107.7°107.2°
NAWSBKOAD108.3°106.4°
NAWSBKOAE110.9°106.4°
SBKNAWH20106.7°119.9°
NAVSBKOAD110.2°106.4°
NAVSBKOAE108.2°106.4°
SBKNAVH19118.9°120.0°
OADSBKOAE111.4°123.2°
H1N6H2109.5°120.0°
H8CAOH9109.5°110.8°
H11CAKH12109.5°109.5°
H13CAIH14109.5°109.5°
H15CAHH16109.5°109.5°
H17CAJH18109.5°109.5°
H21CANH22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N6C6N1C5179.0°179.2°
N6C6N1C2179.6°180.0°
N6C6C5N70.1°0.3°
N6C6C5C4179.1°179.7°
C6N6H1H2120.0°179.9°
N1C6C5N7178.8°179.5°
N1C6C5C40.2°0.5°
C6N1C2N30.1°0.6°
N1C6N6H10.0°0.0°
N1C6N6H2120.0°179.9°
C6N1C2H28179.9°179.4°
C5C6N1C20.6°0.8°
C6C5N7C4179.1°180.0°
C6C5N7C8179.6°179.9°
C6C5C4N30.9°0.0°
C6C5C4N9179.8°179.8°
C5C6N6H1178.9°179.2°
C5C6N6H258.9°0.7°
SAYCAOCBFH8119.3°118.3°
SAYCAOCBFH9119.3°118.3°
SAYCAOCBFNAT92.3°90.3°
SAYCAOCBFCBI21.2°24.6°
CAOSAYCBHCBI38.1°34.7°
CAOSAYCBHCAK162.3°153.0°
SAYCAOCBFH7143.9°148.2°
SAYCAOH8H9122.0°123.4°
CAOSAYCBHH1077.7°83.6°
CBFCAOSAYCBH35.4°34.7°
CAOCBFNATCBI117.3°120.2°
CAOCBFNATH7123.4°121.6°
CAOCBFNATCBA110.7°120.2°
CAOCBFCBIH7122.8°123.7°
CAOCBFCBICBH5.8°0.2°
CAOCBFCBINAU113.3°118.0°
CAOCBFCBIH4128.1°123.8°
CAOCBFNATH669.3°59.9°
CBFCAOH8H9122.0°123.3°
SAYCBHCBICBF30.0°24.7°
SAYCBHCBICAK121.6°118.2°
SAYCBHCBIH10113.8°118.1°
SAYCBHCAKH10118.4°123.4°
SAYCBHCBINAU83.4°90.4°
SAYCBHCAKCAI172.1°66.5°
SAYCBHCBIH4152.2°148.3°
CBHSAYCAOH8154.6°83.6°
CBHSAYCAOH983.9°153.0°
SAYCBHCAKH1152.0°53.5°
SAYCBHCAKH1267.7°173.5°
N1C2N3H28180.0°180.0°
N1C2N3C41.1°0.0°
C5N7C8N90.2°0.1°
N7C5C4N3179.9°179.9°
N7C5C4N90.6°0.2°
C5N7C8H3179.8°179.8°
C8N7C5C40.5°0.1°
N7C8N9H3180.0°179.8°
N7C8N9C40.1°0.2°
N7C8N9CBG179.4°179.7°
C5C4N3C21.5°0.3°
C5C4N9C80.4°0.2°
C5C4N3N9179.1°179.7°
C5C4N9CBG179.7°179.7°
CBFNATCBAH6180.0°179.9°
CBFNATCBAOAC171.7°180.0°
NATCBFCBIH7120.0°118.2°
CBFNATCBANAU6.9°0.1°
NATCBFCBICBH123.1°118.2°
NATCBFCBINAU3.9°0.0°
NATCBFCBIH4114.7°118.2°
NATCBFCAOH827.0°151.4°
NATCBFCAOH9148.5°28.1°
NATCBAOACNAU178.5°179.9°
CBANATCBFCBI6.6°0.0°
NATCBANAUCBI4.1°0.1°
NATCBANAUH5175.9°180.0°
CBANATCBFH7125.9°118.2°
OACCBANAUCBI174.5°180.0°
OACCBANAUH55.5°0.1°
OACCBANATH68.3°0.1°
CBFCBINAUCBA0.2°0.0°
CBFCBICBHNAU113.4°115.1°
CBFCBICBHH4122.2°123.6°
CBFCBICBHCAK151.6°142.9°
CBFCBINAUH4117.8°118.2°
CBFCBINAUH5179.8°180.0°
CBICBFNATH6173.3°179.9°
CBICBFCAOH8140.5°93.7°
CBICBFCAOH998.0°143.0°
CBFCBICBHH1083.8°93.5°
C2N3C4N9179.3°180.0°
C8N9C4N3179.6°179.9°
C8N9C4CBG179.3°179.9°
C8N9CBGCAM19.1°95.0°
C8N9CBGOAX98.8°22.7°
C8N9CBGH27141.6°143.9°
CBANAUCBICBH118.6°120.6°
CBANAUCBIH5180.0°180.0°
CBANAUCBIH4117.6°118.1°
NAUCBANATH6173.1°179.9°
N3C4N9CBG1.1°0.0°
C4N3C2H28178.9°180.0°
C4N9CBGCAM161.8°85.1°
C4N9CBGOAX80.3°157.2°
C4N9C8H3179.9°180.0°
C4N9CBGH2739.2°36.0°
CBICBHCAKH10124.6°123.7°
CBHCBINAUH4123.8°121.3°
CBICBHCAKCAI70.9°179.4°
CBHCBINAUH561.4°59.5°
CBHCBICBFH7116.9°123.6°
CBICBHCAKH11169.0°59.4°
CBICBHCAKH1249.2°60.6°
CAKCBHCBINAU38.2°27.8°
CBHCAKCAIH11120.1°120.0°
CBHCAKCAIH12120.2°120.0°
CBHCAKCAICAH167.7°180.0°
CAKCBHCBIH486.2°93.5°
CBHCAKH11H12119.6°120.0°
CBHCAKCAIH1371.8°60.0°
CBHCAKCAIH1447.3°60.0°
N9CBGCAMOAX118.3°119.3°
N9CBGCAMH27122.9°121.0°
N9CBGOAXH27119.1°121.1°
N9CBGCAMCAL95.7°121.5°
N9CBGCAMF1150.7°120.0°
N9CBGOAXCBE123.4°145.8°
CBGN9C8H30.6°0.1°
N9CBGCAMH2624.6°2.6°
NAUCBICBFH7124.0°118.2°
NAUCBICBHH10162.8°151.5°
CAKCAICAHH13120.4°120.0°
CAKCAICAHH14120.5°120.0°
CAKCAICAHCAJ175.2°NaN°
CAICAKCBHH1053.7°56.9°
CAICAKH11H12119.5°120.0°
CAKCAIH13H14118.6°120.0°
CAKCAICAHH1564.6°60.0°
CAKCAICAHH1654.9°60.0°
CAMCBGOAXH27118.0°119.5°
CBGCAMCALF1112.9°118.5°
CBGCAMCALH26120.1°119.0°
CBGCAMF1H26124.6°122.8°
CBGCAMCALOAL155.2°138.9°
CBGCAMCALCBE35.3°20.7°
CAMCBGOAXCBE0.4°26.5°
CBGCAMCALH2479.9°97.5°
OAXCBGCAMCAL22.6°2.1°
OAXCBGCAMF191.0°120.7°
CBGOAXCBECAL23.4°40.0°
CBGOAXCBECAN148.9°158.6°
CBGOAXCBEH2392.2°78.6°
OAXCBGCAMH26142.9°116.7°
CALCAMF1H26125.6°122.6°
CAMCALOALCBE114.9°112.7°
CAMCALOALH24124.4°123.7°
CAMCALCBEH24115.2°118.2°
CAMCALCBEOAX36.7°36.9°
CAMCALCBECAN159.5°155.5°
CAMCALCBEH2379.7°81.6°
CAMCALOALH25180.0°67.3°
CALCAMCBGH27141.4°117.5°
F1CAMCALOAL42.2°20.4°
F1CAMCALCBE77.6°97.8°
F1CAMCALH24167.2°144.0°
F1CAMCBGH2727.8°1.1°
CAICAHCAJH15120.3°120.0°
CAICAHCAJH16120.3°120.0°
CAICAHCAJCAZ175.3°180.0°
CAHCAICAKH1147.6°60.0°
CAHCAICAKH1272.1°60.0°
CAHCAIH13H14118.6°120.0°
CAICAHH15H16119.1°120.0°
CAICAHCAJH1764.6°60.0°
CAICAHCAJH1855.3°60.0°
CAHCAJCAZH17120.1°120.0°
CAHCAJCAZH18120.1°119.9°
CAHCAJCAZOAB60.2°0.1°
CAHCAJCAZNAV118.9°180.0°
CAJCAHCAIH1354.7°60.0°
CAJCAHCAIH1464.4°60.0°
CAJCAHH15H16119.1°120.0°
CAHCAJH17H18119.7°119.9°
OALCALCBEH24121.4°123.6°
OALCALCBEOAX160.1°155.1°
OALCALCBECAN77.1°86.3°
OALCALCBEH2343.7°36.6°
OALCALCAMH2684.7°102.1°
CALCBEOAXCAN125.5°118.6°
CALCBEOAXH23115.6°118.6°
CALCBECANH23120.9°122.9°
CALCBECANNAW178.7°177.2°
CALCBECANH2161.4°62.8°
CALCBECANH2258.7°57.1°
CBECALOALH2565.1°180.0°
CBECALCAMH26155.5°139.7°
OAXCBECANH23119.6°122.9°
OAXCBECANNAW59.2°68.6°
OAXCBECANH21179.1°51.5°
OAXCBECANH2260.8°171.4°
OAXCBECALH2478.5°81.3°
CBEOAXCBGH27117.5°93.0°
CBECANNAWH21119.9°120.0°
CBECANNAWH22119.9°120.0°
CBECANNAWSBK153.3°165.0°
CBECANNAWH2085.2°15.0°
CBECANH21H22120.2°119.9°
CANCBECALH2444.3°37.3°
CANNAWSBKH20121.5°180.0°
CANNAWSBKNAV72.6°65.0°
CANNAWSBKOAD168.2°48.5°
CANNAWSBKOAE45.6°178.5°
NAWCANH21H22120.3°120.1°
NAWCANCBEH2360.5°54.3°
CAJCAZOABNAV179.1°179.9°
CAJCAZNAVSBK177.1°180.0°
CAZCAJCAHH1555.1°60.1°
CAZCAJCAHH1664.3°60.0°
CAZCAJH17H18119.7°120.1°
CAJCAZNAVH192.9°0.1°
OABCAZNAVSBK3.7°0.1°
OABCAZCAJH17179.7°120.0°
OABCAZCAJH1859.8°119.9°
OABCAZNAVH19176.3°180.0°
CAZNAVSBKNAW60.4°65.0°
CAZNAVSBKH19180.0°180.0°
CAZNAVSBKOAD57.6°178.5°
CAZNAVSBKOAE179.6°48.6°
NAVCAZCAJH171.1°60.1°
NAVCAZCAJH18121.0°60.0°
NAWSBKNAVOAD118.0°113.5°
NAWSBKNAVOAE120.0°113.5°
NAWSBKOADOAE122.3°123.0°
NAWSBKNAVH19119.6°115.0°
SBKNAWCANH2133.4°75.0°
SBKNAWCANH2286.8°45.0°
NAVSBKOADOAE120.1°123.0°
NAVSBKNAWH2048.9°115.0°
OADSBKNAVH19122.4°1.4°
OADSBKNAWH2070.3°131.4°
OAESBKNAVH190.4°131.5°
OAESBKNAWH20167.1°1.5°
H4CBINAUH562.4°61.8°
H4CBICBFH75.4°0.1°
H4CBICBHH1038.4°30.2°
H6NATCBFH754.0°61.7°
H7CBFCAOH896.8°29.9°
H7CBFCAOH924.6°93.4°
H10CBHCAKH1166.4°176.9°
H10CBHCAKH12173.9°63.1°
H11CAKCAIH13168.1°180.0°
H11CAKCAIH1472.9°60.0°
H12CAKCAIH1348.4°60.0°
H12CAKCAIH14167.4°180.0°
H13CAICAHH15175.0°180.0°
H13CAICAHH1665.6°60.0°
H14CAICAHH1555.9°59.9°
H14CAICAHH16175.4°180.0°
H15CAHCAJH17175.2°180.0°
H15CAHCAJH1865.0°60.0°
H16CAHCAJH1755.7°60.0°
H16CAHCAJH18175.6°180.0°
H20NAWCANH21154.9°105.0°
H20NAWCANH2234.7°135.0°
H21CANCBEH2359.5°174.3°
H22CANCBEH23179.6°65.8°
H23CBECALH24165.1°160.2°
H24CALOALH2555.6°56.4°
H24CALCAMH2640.3°21.5°
H26CAMCBGH2798.3°123.6°

227344

PDB entries from 2024-11-13

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