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009

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COdoub1.21Å1.24Å
CNsing1.35Å1.38Å
CC30sing1.51Å1.59Å
NCAsing1.47Å1.50Å
CACBsing1.53Å1.56Å
CAC1sing1.53Å1.54Å
CBCGsing1.51Å1.50Å
CGCD1doub1.38Å1.41ÅAromatic
CGCD2sing1.38Å1.42ÅAromatic
CD1CE1sing1.38Å1.41ÅAromatic
CD2CE2doub1.38Å1.41ÅAromatic
CE1CZdoub1.38Å1.41ÅAromatic
CE2CZsing1.38Å1.41ÅAromatic
C1OGsing1.43Å1.42Å
C1C2sing1.53Å1.52Å
C2N2sing1.47Å1.47Å
N2C20sing1.47Å1.47Å
C20C21sing1.51Å1.50Å
C21C22doub1.38Å1.41ÅAromatic
C21C26sing1.38Å1.42ÅAromatic
C22C23sing1.38Å1.42ÅAromatic
C23C24doub1.38Å1.43ÅAromatic
C24C25sing1.39Å1.43ÅAromatic
C25C26doub1.39Å1.42ÅAromatic
C25N27sing1.40Å1.39Å
N27C28sing1.47Å1.46Å
N27C29sing1.46Å1.46Å
C30N31sing1.47Å1.47Å
C30C35sing1.54Å1.54Å
C30C51sing1.53Å1.60Å
N31C32sing1.34Å1.35Å
C32O33doub1.22Å1.23Å
C32N34sing1.34Å1.43Å
N34C35sing1.47Å1.48Å
N34C36sing1.46Å1.51Å
C36C41sing1.51Å1.51Å
C41C42doub1.38Å1.42ÅAromatic
C41C43sing1.38Å1.42ÅAromatic
C42C45sing1.38Å1.41ÅAromatic
C43C44doub1.38Å1.41ÅAromatic
C44C46sing1.38Å1.41ÅAromatic
C45C46doub1.38Å1.42ÅAromatic
C51C56sing1.51Å1.54Å
C52C53doub1.38Å1.42ÅAromatic
C52C57sing1.38Å1.42ÅAromatic
C53C54sing1.38Å1.42ÅAromatic
C54C55doub1.38Å1.42ÅAromatic
C55C56sing1.38Å1.43ÅAromatic
C56C57doub1.38Å1.44ÅAromatic
NHNsing0.97Å1.00Å
CAHAsing1.09Å1.10Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CD1HD1sing1.08Å1.08Å
CD2HD2sing1.08Å1.08Å
CE1HE1sing1.08Å1.08Å
CE2HE2sing1.08Å1.08Å
CZHZsing1.08Å1.08Å
C1H1sing1.09Å1.10Å
OGHOGsing0.97Å0.95Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N2HN2sing1.01Å1.00Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C29H29Bsing1.09Å1.10Å
N31HN31sing0.97Å1.00Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C42H42sing1.08Å1.08Å
C43H43sing1.08Å1.08Å
C44H44sing1.08Å1.08Å
C45H45sing1.08Å1.08Å
C46H46sing1.08Å1.08Å
C51H51sing1.09Å1.10Å
C51H51Asing1.09Å1.10Å
C52H52sing1.08Å1.08Å
C53H53sing1.08Å1.08Å
C54H54sing1.08Å1.08Å
C55H55sing1.08Å1.08Å
C57H57sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCN123.6°120.1°
OCC30122.2°120.0°
NCC30114.2°119.9°
CNCA124.1°120.0°
CNHN118.0°120.1°
CC30N31109.4°110.6°
CC30C35113.6°110.5°
CC30C51108.5°110.5°
NCACB106.9°109.5°
NCAC1110.5°109.5°
CANHN118.0°120.0°
NCAHA111.6°109.5°
CBCAC1112.6°109.5°
CACBCG109.4°109.5°
CBCAHA109.5°109.5°
CACBHB109.5°109.5°
CACBHBA109.5°109.5°
CAC1OG107.3°109.4°
CAC1C2111.1°109.5°
C1CAHA105.8°109.5°
CAC1H1109.4°109.5°
CBCGCD1120.8°120.0°
CBCGCD2120.2°120.0°
CGCBHB109.5°109.5°
CGCBHBA109.5°109.5°
CD1CGCD2119.0°119.9°
CGCD1CE1120.4°120.0°
CGCD1HD1119.8°119.9°
CGCD2CE2120.7°120.0°
CGCD2HD2119.6°120.0°
CD1CE1CZ120.5°120.0°
CE1CD1HD1119.8°120.1°
CD1CE1HE1119.7°120.0°
CD2CE2CZ119.5°120.0°
CE2CD2HD2119.6°120.0°
CD2CE2HE2120.2°120.1°
CE1CZCE2119.9°120.0°
CZCE1HE1119.7°120.0°
CE1CZHZ120.0°120.0°
CZCE2HE2120.2°119.9°
CE2CZHZ120.1°120.0°
OGC1C2108.2°109.5°
OGC1H1112.3°109.4°
C1OGHOG109.5°114.0°
C1C2N2110.1°109.5°
C2C1H1108.5°109.5°
C1C2H2109.2°109.5°
C1C2H2A109.1°109.5°
C2N2C20114.9°111.0°
N2C2H2109.2°109.5°
N2C2H2A109.1°109.5°
C2N2HN2107.7°111.0°
N2C20C21107.3°109.4°
C20N2HN2107.7°111.0°
N2C20H20110.2°109.5°
N2C20H20A110.7°109.5°
C20C21C22121.4°119.9°
C20C21C26119.0°120.0°
C21C20H20110.2°109.5°
C21C20H20A110.7°109.4°
C22C21C26119.5°120.1°
C21C22C23120.1°120.1°
C21C22H22119.9°119.9°
C21C26C25121.5°119.9°
C21C26H26119.3°120.0°
C22C23C24120.2°120.1°
C23C22H22120.0°119.9°
C22C23H23119.9°120.0°
C23C24C25120.4°119.9°
C24C23H23119.9°119.9°
C23C24H24119.8°120.0°
C24C25C26118.3°119.9°
C24C25N27121.2°120.1°
C25C24H24119.8°120.1°
C26C25N27120.5°120.1°
C25C26H26119.2°120.0°
C25N27C28120.0°120.0°
C25N27C29120.7°120.0°
C28N27C29119.2°120.0°
N27C28H28109.5°109.4°
N27C28H28A109.5°109.4°
N27C28H28B109.5°109.4°
N27C29H29109.5°109.5°
N27C29H29A109.5°109.5°
N27C29H29B109.5°109.5°
N31C30C35101.1°103.8°
N31C30C51110.3°110.6°
C30N31C32107.6°109.2°
C30N31HN31126.2°125.3°
C35C30C51113.8°110.6°
C30C35N34102.8°103.9°
C30C35H35111.7°110.5°
C30C35H35A113.2°110.6°
C30C51C56118.1°109.5°
C30C51H51106.7°109.5°
C30C51H51A104.7°109.5°
N31C32O33124.7°123.0°
N31C32N34113.1°113.9°
C32N31HN31126.2°125.5°
O33C32N34122.2°123.1°
C32N34C35101.2°109.2°
C32N34C36116.5°125.4°
C35N34C36119.0°125.4°
N34C35H35111.8°110.5°
N34C35H35A113.1°110.6°
N34C36C41118.8°109.5°
N34C36H36106.5°109.5°
N34C36H36A104.3°109.5°
C36C41C42120.8°120.0°
C36C41C43120.1°120.0°
C41C36H36106.5°109.5°
C41C36H36A104.3°109.5°
C42C41C43119.1°120.0°
C41C42C45120.5°120.0°
C41C42H42119.7°120.0°
C41C43C44120.6°120.0°
C41C43H43119.7°120.0°
C42C45C46119.9°120.0°
C45C42H42119.7°120.0°
C42C45H45120.0°120.1°
C43C44C46119.8°120.0°
C44C43H43119.7°120.0°
C43C44H44120.1°120.0°
C44C46C45120.1°120.0°
C46C44H44120.1°120.0°
C44C46H46119.9°120.0°
C46C45H45120.0°120.0°
C45C46H46120.0°120.0°
C51C56C55121.1°120.0°
C51C56C57120.5°120.0°
C56C51H51106.7°109.5°
C56C51H51A104.7°109.5°
C53C52C57119.6°120.0°
C52C53C54120.0°120.0°
C53C52H52120.2°120.0°
C52C53H53120.0°120.0°
C52C57C56121.0°120.0°
C57C52H52120.2°119.9°
C52C57H57119.6°120.0°
C53C54C55120.6°120.0°
C54C53H53120.0°120.0°
C53C54H54119.7°120.0°
C54C55C56120.4°120.0°
C55C54H54119.7°120.0°
C54C55H55119.8°119.9°
C55C56C57118.5°120.0°
C56C55H55119.8°120.1°
C56C57H57119.5°120.0°
HBCBHBA109.4°109.5°
H2C2H2A110.0°109.5°
H20C20H20A107.8°109.5°
H28C28H28A109.5°109.5°
H28C28H28B109.5°109.5°
H28AC28H28B109.5°109.5°
H29C29H29A109.5°109.4°
H29C29H29B109.4°109.5°
H29AC29H29B109.5°109.5°
H35C35H35A104.5°110.6°
H36C36H36A117.2°109.4°
H51C51H51A116.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCNC30178.4°179.7°
OCNCA0.6°5.0°
OCC30N31139.7°145.7°
OCC30C35108.2°31.3°
OCC30C5119.4°91.5°
OCNHN179.4°175.0°
CNCAHN180.0°180.0°
CNCACB120.6°126.9°
CNCAC1116.5°113.1°
NCC30N3141.9°34.0°
NCC30C3570.2°148.5°
NCC30C51162.2°88.7°
CNCAHA0.9°6.9°
C30CNCA177.8°175.3°
CC30N31C35120.1°118.6°
CC30N31C51119.2°122.7°
CC30C35C51124.7°122.7°
CC30N31C32141.9°118.6°
CC30C35N34152.4°118.6°
CC30C51C56172.3°64.3°
C30CNHN2.2°4.7°
CC30N31HN3138.1°61.4°
CC30C35H3532.4°0.1°
CC30C35H35A85.2°122.8°
CC30C51H5152.3°175.7°
CC30C51H51A71.8°55.7°
NCACBC1121.5°120.0°
NCACBHA121.0°120.0°
NCAC1HA121.0°120.0°
NCACBCG58.0°66.5°
NCAC1OG179.2°65.0°
NCAC1C262.7°175.0°
NCACBHB62.0°53.5°
NCACBHBA178.0°173.5°
NCAC1H157.1°54.9°
CBCAC1HA119.6°120.0°
CACBCGHB120.0°120.0°
CACBCGHBA120.0°120.0°
CACBCGCD1123.1°85.8°
CACBCGCD255.9°94.5°
CBCAC1OG59.7°55.0°
CBCAC1C2177.8°65.0°
CBCANHN59.4°53.1°
CACBHBHBA120.1°120.0°
CBCAC1H162.4°175.0°
C1CACBCG179.5°173.5°
CAC1OGC2120.0°120.0°
CAC1OGH1120.3°120.0°
CAC1C2H1120.4°120.1°
CAC1C2N2152.9°175.0°
C1CANHN63.5°67.0°
C1CACBHB59.5°66.5°
C1CACBHBA60.5°53.5°
CAC1OGHOG141.1°60.1°
CAC1C2H287.1°55.0°
CAC1C2H2A33.2°65.0°
CBCGCD1CD2179.0°179.7°
CBCGCD1CE1179.0°180.0°
CBCGCD2CE2178.9°180.0°
CGCBCAHA63.1°53.5°
CGCBHBHBA120.0°120.0°
CBCGCD1HD11.0°0.0°
CBCGCD2HD21.1°0.0°
CGCD1CE1HD1180.0°180.0°
CD1CGCD2CE20.1°0.3°
CGCD1CE1CZ0.1°0.0°
CD1CGCBHB3.1°34.2°
CD1CGCBHBA116.8°154.2°
CD1CGCD2HD2179.9°179.7°
CGCD1CE1HE1179.9°179.9°
CD2CGCD1CE10.0°0.3°
CGCD2CE2HD2180.0°180.0°
CGCD2CE2CZ0.1°0.0°
CD2CGCBHB175.9°145.5°
CD2CGCBHBA64.1°25.5°
CD2CGCD1HD1180.0°179.7°
CGCD2CE2HE2179.9°180.0°
CD1CE1CZHE1180.0°179.9°
CD1CE1CZCE20.1°0.3°
CD1CE1CZHZ179.9°180.0°
CD2CE2CZCE10.0°0.3°
CD2CE2CZHE2180.0°180.0°
CD2CE2CZHZ180.0°180.0°
CE1CZCE2HZ180.0°179.7°
CZCE1CD1HD1179.9°180.0°
CE1CZCE2HE2180.0°179.7°
CZCE2CD2HD2179.9°180.0°
CE2CZCE1HE1179.9°179.8°
OGC1C2H1122.1°120.0°
OGC1C2N235.4°65.0°
OGC1CAHA59.8°175.0°
OGC1C2H2155.3°175.0°
OGC1C2H2A84.3°55.0°
C1C2N2H2120.0°120.0°
C1C2N2H2A119.7°120.0°
C1C2N2C20176.5°180.0°
C2C1CAHA58.2°55.0°
C2C1OGHOG21.1°59.9°
C1C2H2H2A119.8°120.0°
C1C2N2HN256.5°56.1°
C2N2C20HN2120.0°123.9°
C2N2C20C2185.7°180.0°
N2C2C1H186.7°55.0°
N2C2H2H2A119.7°120.0°
C2N2C20H20154.3°60.0°
C2N2C20H20A35.1°60.0°
N2C20C21H20120.0°120.0°
N2C20C21H20A120.9°120.0°
N2C20C21C22121.4°90.0°
N2C20C21C2657.4°90.2°
C20N2C2H263.5°60.0°
C20N2C2H2A56.8°60.0°
N2C20H20H20A120.9°120.0°
C20C21C22C26178.9°179.7°
C20C21C22C23179.0°180.0°
C20C21C26C25179.0°179.8°
C21C20N2HN234.3°56.1°
C21C20H20H20A120.9°120.0°
C20C21C22H221.0°0.1°
C20C21C26H261.0°0.0°
C21C22C23H22180.0°179.9°
C21C22C23C240.1°0.0°
C22C21C26C250.1°0.5°
C22C21C20H20118.6°30.0°
C22C21C20H20A0.6°150.0°
C21C22C23H23179.8°180.0°
C22C21C26H26179.9°179.8°
C26C21C22C230.2°0.2°
C21C26C25C240.0°0.4°
C21C26C25H26180.0°179.8°
C21C26C25N27179.9°179.7°
C26C21C20H2062.6°149.7°
C26C21C20H20A178.3°29.7°
C26C21C22H22179.9°179.8°
C22C23C24H23180.0°180.0°
C22C23C24C250.0°0.0°
C22C23C24H24180.0°180.0°
C23C24C25H24180.0°179.9°
C23C24C25C260.0°0.2°
C23C24C25N27179.9°179.9°
C24C23C22H22179.9°180.0°
C24C25C26N27179.9°179.8°
C24C25N27C2868.3°0.0°
C24C25N27C29112.0°180.0°
C25C24C23H23179.9°180.0°
C24C25C26H26180.0°179.8°
C26C25N27C28111.6°179.8°
C26C25N27C2968.1°0.2°
C26C25C24H24179.9°179.8°
C25N27C28C29179.7°180.0°
N27C25C24H240.2°0.0°
N27C25C26H260.1°0.1°
C25N27C28H28134.8°89.9°
C25N27C28H28A14.8°150.0°
C25N27C28H28B105.2°30.0°
C25N27C29H2949.3°90.0°
C25N27C29H29A169.3°150.0°
C25N27C29H29B70.6°30.0°
N27C28H28H28A120.0°120.0°
N27C28H28H28B120.0°119.9°
N27C28H28AH28B120.0°120.0°
C28N27C29H29131.0°90.0°
C28N27C29H29A11.0°30.0°
C28N27C29H29B109.1°150.0°
C29N27C28H2845.5°90.0°
C29N27C28H28A165.5°30.0°
C29N27C28H28B74.5°150.0°
N27C29H29H29A120.0°120.0°
N27C29H29H29B120.0°120.0°
N27C29H29AH29B120.0°120.0°
N31C30C35C51118.2°118.6°
C30N31C32HN31180.0°180.0°
C30N31C32O33179.3°180.0°
C30N31C32N340.4°0.0°
N31C30C35N3435.3°0.0°
N31C30C51C5667.9°58.4°
N31C30C35H3584.7°118.6°
N31C30C35H35A157.7°118.6°
N31C30C51H51172.1°61.5°
N31C30C51H51A48.0°178.4°
C35C30N31C3221.8°0.0°
C30C35N34C3235.1°0.0°
C30C35N34H35120.0°118.5°
C30C35N34H35A122.4°118.6°
C30C35N34C36164.3°180.0°
C35C30C51C5644.9°172.9°
C35C30N31HN31158.2°180.0°
C30C35H35H35A122.7°122.8°
C35C30C51H5175.1°52.9°
C35C30C51H51A160.8°67.1°
C51C30N31C3298.9°118.7°
C51C30C35N3482.9°118.7°
C30C51C56H51120.0°120.0°
C30C51C56H51A115.9°120.0°
C30C51C56C5586.0°90.0°
C30C51C56C5793.4°90.0°
C51C30N31HN3181.1°61.3°
C51C30C35H35157.1°122.8°
C51C30C35H35A39.5°0.1°
C30C51H51H51A116.5°120.0°
N31C32O33N34178.8°179.9°
N31C32N34C3523.3°0.0°
N31C32N34C36154.0°180.0°
O33C32N34C35157.7°180.0°
O33C32N34C3627.0°0.1°
O33C32N31HN310.7°0.0°
C32N34C35C36129.1°180.0°
C32N34C36C4193.4°86.4°
N34C32N31HN31179.6°180.0°
C32N34C35H3584.9°118.6°
C32N34C35H35A157.5°118.6°
C32N34C36H36146.6°153.6°
C32N34C36H36A22.1°33.6°
C35N34C36C4128.3°93.7°
N34C35H35H35A122.7°122.8°
C35N34C36H3691.7°26.4°
C35N34C36H36A143.8°146.3°
N34C36C41H36120.0°120.0°
N34C36C41H36A115.5°120.0°
N34C36C41C4279.9°96.1°
N34C36C41C43100.1°84.2°
C36N34C35H3544.3°61.5°
C36N34C35H35A73.4°61.4°
N34C36H36H36A116.2°120.0°
C36C41C42C43180.0°179.7°
C36C41C42C45179.8°180.0°
C36C41C43C44179.8°180.0°
C41C36H36H36A116.2°120.0°
C36C41C42H420.3°0.0°
C36C41C43H430.2°0.0°
C41C42C45H42180.0°179.9°
C42C41C43C440.2°0.3°
C41C42C45C460.0°0.0°
C42C41C36H36160.1°23.9°
C42C41C36H36A35.6°143.9°
C42C41C43H43179.8°179.7°
C41C42C45H45180.0°180.0°
C43C41C42C450.2°0.3°
C41C43C44H43180.0°180.0°
C41C43C44C460.0°0.0°
C43C41C36H3619.9°155.8°
C43C41C36H36A144.4°35.8°
C43C41C42H42179.7°179.8°
C41C43C44H44180.0°180.0°
C42C45C46C440.3°0.3°
C42C45C46H45180.0°180.0°
C42C45C46H46179.7°179.9°
C43C44C46H44180.0°180.0°
C43C44C46C450.3°0.3°
C43C44C46H46179.7°179.9°
C44C46C45H46180.0°179.6°
C46C44C43H43179.9°180.0°
C44C46C45H45179.7°179.7°
C46C45C42H42180.0°179.9°
C45C46C44H44179.7°179.7°
C51C56C57C52179.1°180.0°
C51C56C55C54179.1°180.0°
C51C56C55C57179.4°180.0°
C56C51H51H51A116.4°120.0°
C51C56C55H550.9°0.0°
C51C56C57H570.9°0.1°
C53C52C57H52180.0°179.8°
C52C53C54H53180.0°180.0°
C52C53C54C550.2°0.1°
C53C52C57C560.0°0.1°
C52C53C54H54179.8°180.0°
C53C52C57H57180.0°180.0°
C57C52C53C540.2°0.1°
C52C57C56C550.3°0.1°
C52C57C56H57180.0°179.9°
C57C52C53H53179.8°180.0°
C53C54C55H54180.0°179.9°
C53C54C55C560.0°0.0°
C54C53C52H52179.8°179.7°
C53C54C55H55180.0°179.9°
C54C55C56H55180.0°180.0°
C54C55C56C570.2°0.0°
C55C54C53H53179.8°180.0°
C55C56C51H51154.1°30.0°
C55C56C51H51A30.0°150.0°
C56C55C54H54180.0°180.0°
C55C56C57H57179.7°180.0°
C57C56C51H5126.6°150.0°
C57C56C51H51A150.7°30.0°
C56C57C52H52180.0°179.7°
C57C56C55H55179.8°179.9°
HNNCAHA179.0°173.1°
HACACBHB176.9°173.5°
HACACBHBA56.9°66.5°
HACAC1H1178.1°65.1°
HD1CD1CE1HE10.1°0.0°
HD2CD2CE2HE20.1°0.0°
HE1CE1CZHZ0.1°0.1°
HE2CE2CZHZ0.0°0.0°
H1C1OGHOG98.7°180.0°
H1C1C2H233.3°65.1°
H1C1C2H2A153.6°174.9°
H2C2N2HN2176.5°176.1°
H2AC2N2HN263.2°63.9°
HN2N2C20H2085.7°176.1°
HN2N2C20H20A155.2°63.9°
H22C22C23H230.1°0.0°
H23C23C24H240.0°0.0°
H28C28H28AH28B120.0°120.0°
H29C29H29AH29B120.0°120.0°
H42C42C45H450.0°0.0°
H43C43C44H440.0°0.0°
H44C44C46H460.2°0.0°
H45C45C46H460.3°0.1°
H52C52C53H530.2°0.3°
H52C52C57H570.0°0.2°
H53C53C54H540.2°0.0°
H54C54C55H550.0°0.0°

225158

PDB entries from 2024-09-18

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