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DVW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11C12sing0.00Å1.53Å
C11PTsing0.00Å2.37Å
C12PTsing0.00Å2.12Å
PTN1sing0.00Å2.05Å
PTN10sing0.00Å2.17Å
PTN3sing0.00Å1.84Å
C7C6Adoub0.00Å1.37ÅAromatic
C7C8sing0.00Å1.36ÅAromatic
C6AC6sing0.00Å1.37ÅAromatic
C6AC10sing0.00Å1.42ÅAromatic
C6C5doub0.00Å1.37ÅAromatic
C5C4Asing0.00Å1.39ÅAromatic
C4AC4doub0.00Å1.40ÅAromatic
C4AC1Asing0.00Å1.41ÅAromatic
C4C3sing0.00Å1.38ÅAromatic
C3C2doub0.00Å1.38ÅAromatic
C2N1sing0.00Å1.41ÅAromatic
C2C2Asing0.00Å1.50Å
N1C1Adoub0.00Å1.32ÅAromatic
C1AC10sing0.00Å1.42ÅAromatic
C10N10doub0.00Å1.44ÅAromatic
N10C9sing0.00Å1.35ÅAromatic
C9C8doub0.00Å1.38ÅAromatic
C9C9Asing0.00Å1.46Å
CACBdoub0.00Å1.12ÅAromatic
CBC52sing0.00Å1.15Å
CM1N12sing0.00Å1.47Å
N12C52sing0.00Å1.36ÅAromatic
N12C22sing0.00Å1.35ÅAromatic
C52C42doub0.00Å1.40ÅAromatic
C42N3sing0.00Å1.32ÅAromatic
N3C22doub0.00Å1.34ÅAromatic
C11H1sing0.00Å1.10Å
C11H2sing0.00Å1.10Å
C12H3sing0.00Å1.10Å
C12H4sing0.00Å1.10Å
C7H5sing0.00Å1.08Å
C6H6sing0.00Å1.08Å
C5H7sing0.00Å1.08Å
C4H8sing0.00Å1.08Å
C3H9sing0.00Å1.08Å
C8H10sing0.00Å1.08Å
C2AH11sing0.00Å1.10Å
C2AH12sing0.00Å1.10Å
C2AH13sing0.00Å1.10Å
C9AH14sing0.00Å1.10Å
C9AH15sing0.00Å1.10Å
C9AH16sing0.00Å1.10Å
CAH17sing0.00Å1.08Å
CM1H20sing0.00Å1.10Å
CM1H21sing0.00Å1.10Å
CM1H22sing0.00Å1.10Å
C42H23sing0.00Å1.08Å
C22H24sing0.00Å1.08Å
CBN2sing0.00Å95.57ÅAromatic
N2N4doub0.00Å0.00ÅAromatic
N4N5sing0.00Å0.00ÅAromatic
N5CAsing0.00Å95.18ÅAromatic
N5C1sing0.00Å0.00Å
C1C13sing0.00Å0.00Å
C13C14sing0.00Å0.00Å
C14C15sing0.00Å0.00Å
C15C16sing0.00Å0.00Å
C16O1sing0.00Å0.00Å
O1C1sing0.00Å0.00Å
C13O3sing0.00Å0.00Å
C14O2sing0.00Å0.00Å
C15O4sing0.00Å0.00Å
C16O5sing0.00Å0.00Å
C1H18sing0.00Å0.00Å
C13H19sing0.00Å0.00Å
C14H25sing0.00Å0.00Å
C15H26sing0.00Å0.00Å
C16H27sing0.00Å0.00Å
O3H28sing0.00Å0.00Å
O2H29sing0.00Å0.00Å
O4H30sing0.00Å0.00Å
O5H31sing0.00Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12C11PT61.4°90.0°
C11C12PT79.4°90.0°
C12C11H1119.8°90.0°
C12C11H2119.7°90.0°
C11C12H3116.4°90.0°
C11C12H4116.4°90.0°
C11PTC1239.2°90.0°
C11PTN1167.3°90.0°
C11PTN1098.9°90.0°
C11PTN395.9°90.0°
PTC11H1119.8°90.0°
PTC11H2119.8°90.0°
C12PTN1128.1°90.0°
C12PTN10137.6°90.0°
C12PTN393.7°90.0°
PTC12H3116.4°90.0°
PTC12H4116.4°90.0°
N1PTN1093.7°90.0°
N1PTN383.9°90.0°
PTN1C2134.6°90.0°
PTN1C1A100.7°90.0°
N10PTN383.3°90.0°
PTN10C1091.3°90.0°
PTN10C9152.4°90.0°
PTN3C42126.8°90.0°
PTN3C22117.7°90.0°
C6AC7C8119.3°90.0°
C7C6AC6111.4°90.0°
C7C6AC10122.3°90.0°
C6AC7H5120.4°90.0°
C7C8C9119.3°90.0°
C8C7H5120.4°90.0°
C7C8H10120.3°90.0°
C6C6AC10126.3°90.0°
C6AC6C5119.7°90.0°
C6AC6H6120.2°90.0°
C6AC10C1A112.2°90.0°
C6AC10N10117.6°90.0°
C6C5C4A118.2°90.0°
C5C6H6120.1°90.0°
C6C5H7120.9°90.0°
C5C4AC4114.4°90.0°
C5C4AC1A121.5°90.0°
C4AC5H7120.9°90.0°
C4C4AC1A124.1°90.0°
C4AC4C3119.6°90.0°
C4AC4H8120.2°90.0°
C4AC1AN1114.1°90.0°
C4AC1AC10122.1°90.0°
C4C3C2116.5°90.0°
C3C4H8120.2°90.0°
C4C3H9121.7°90.0°
C3C2N1121.5°90.0°
C3C2C2A118.8°90.0°
C2C3H9121.7°90.0°
N1C2C2A119.6°90.0°
C2N1C1A124.0°90.0°
C2C2AH11109.5°90.0°
C2C2AH12109.4°90.0°
C2C2AH13109.4°90.0°
N1C1AC10123.7°90.0°
C1AC10N10130.0°90.0°
C10N10C9116.2°90.0°
N10C9C8124.8°90.0°
N10C9C9A124.5°90.0°
C8C9C9A110.6°90.0°
C9C8H10120.3°90.0°
C9C9AH14109.5°90.0°
C9C9AH15109.5°90.0°
C9C9AH16109.5°90.0°
CACBC52126.1°90.0°
CBCAH17124.8°90.0°
CACBN268.9°90.0°
CBCAN5110.5°90.0°
CBC52N12133.1°90.0°
CBC52C42121.7°90.0°
C52CBN260.5°90.0°
CM1N12C52129.4°90.0°
CM1N12C22121.2°90.0°
N12CM1H20109.5°90.0°
N12CM1H21109.5°90.0°
N12CM1H22109.5°90.0°
C52N12C22109.4°90.0°
N12C52C42104.9°90.0°
N12C22N3107.8°90.0°
N12C22H24126.1°90.0°
C52C42N3109.0°90.0°
C52C42H23125.5°90.0°
C42N3C22108.8°90.0°
N3C42H23125.5°90.0°
N3C22H24126.1°90.0°
H1C11H2109.5°90.0°
H3C12H4109.5°90.0°
H11C2AH12109.5°90.0°
H11C2AH13109.5°90.0°
H12C2AH13109.5°90.0°
H14C9AH15109.5°90.0°
H14C9AH16109.4°90.0°
H15C9AH16109.5°90.0°
H17CAN5124.7°90.0°
H20CM1H21109.4°90.0°
H20CM1H22109.5°90.0°
H21CM1H22109.5°90.0°
CBN2N490.0°90.0°
N2N4N590.0°90.0°
N4N5CA90.0°90.0°
N4N5C190.0°90.0°
CAN5C190.0°90.0°
N5C1C1390.0°90.0°
N5C1O190.0°90.0°
N5C1H1890.0°90.0°
C1C13C1490.0°90.0°
C13C1O190.0°90.0°
C1C13O390.0°90.0°
C13C1H1890.0°90.0°
C1C13H1990.0°90.0°
C13C14C1590.0°90.0°
C14C13O390.0°90.0°
C13C14O290.0°90.0°
C14C13H1990.0°90.0°
C13C14H2590.0°90.0°
C14C15C1690.0°90.0°
C15C14O290.0°90.0°
C14C15O490.0°90.0°
C15C14H2590.0°90.0°
C14C15H2690.0°90.0°
C15C16O190.0°90.0°
C16C15O490.0°90.0°
C15C16O590.0°90.0°
C16C15H2690.0°90.0°
C15C16H2790.0°90.0°
C16O1C190.0°90.0°
O1C16O590.0°90.0°
O1C16H2790.0°90.0°
O1C1H1890.0°90.0°
O3C13H1990.0°90.0°
C13O3H2890.0°90.0°
O2C14H2590.0°90.0°
C14O2H2990.0°90.0°
O4C15H2690.0°90.0°
C15O4H3090.0°90.0°
O5C16H2790.0°90.0°
C16O5H3190.0°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12C11PTH1109.9°90.0°
C12C11PTH2109.8°90.0°
C11C12PTH3114.3°90.0°
C11C12PTH4114.3°90.0°
C12C11PTN10.2°90.0°
C12C11PTN10172.7°90.0°
C12C11PTN388.7°90.0°
C12C11H1H2143.9°90.0°
C11C12H3H4134.5°90.0°
C11PTN1N10172.6°90.0°
C11PTN1N389.8°90.0°
C11PTN10N394.9°90.0°
C11PTN1C211.3°90.0°
C11PTN1C1A178.5°90.0°
C11PTN10C10178.7°90.0°
C11PTN10C95.3°90.0°
C11PTN3C425.3°90.0°
C11PTN3C22142.6°90.0°
PTC11H1H2143.9°90.0°
C12PTN1N10172.8°90.0°
C12PTN1N390.0°90.0°
C12PTN10N388.1°90.0°
C12PTN1C211.1°90.0°
C12PTN1C1A178.6°90.0°
C12PTN10C10174.5°90.0°
C12PTN10C91.5°90.0°
C12PTN3C4244.6°90.0°
C12PTN3C22103.3°90.0°
PTC12H3H4134.5°90.0°
N1PTN10N383.4°90.0°
PTN1C1AC4A174.8°90.0°
PTN1C2C3172.2°90.0°
PTN1C2C1A168.4°90.0°
PTN1C2C2A9.9°90.0°
PTN1C1AC107.8°90.0°
N1PTN10C102.9°90.0°
N1PTN10C9173.1°90.0°
N1PTN3C42172.5°90.0°
N1PTN3C2224.6°90.0°
N1PTC11H1109.7°90.0°
N1PTC11H2110.0°90.0°
N1PTC12H365.8°90.0°
N1PTC12H465.6°90.0°
PTN10C10C6A174.6°90.0°
N10PTN1C2176.1°90.0°
N10PTN1C1A5.8°90.0°
PTN10C10C1A0.6°90.0°
PTN10C10C9177.9°90.0°
PTN10C9C8176.3°90.0°
PTN10C9C9A0.3°90.0°
N10PTN3C4293.0°90.0°
N10PTN3C22119.1°90.0°
N10PTC11H162.8°90.0°
N10PTC11H277.4°90.0°
N10PTC12H3125.0°90.0°
N10PTC12H4103.6°90.0°
N3PTN1C2101.1°90.0°
N3PTN1C1A88.7°90.0°
N3PTN10C1086.3°90.0°
N3PTN10C989.7°90.0°
PTN3C22N12152.8°90.0°
PTN3C42C52151.2°90.0°
PTN3C42C22150.2°90.0°
N3PTC11H121.2°90.0°
N3PTC11H2161.5°90.0°
N3PTC12H3150.9°90.0°
N3PTC12H419.5°90.0°
PTN3C42H2328.8°90.0°
PTN3C22H2427.2°90.0°
C6AC7C8H5180.0°90.0°
C7C6AC6C10179.4°90.0°
C7C6AC6C5179.1°90.0°
C7C6AC10C1A178.7°90.0°
C7C6AC10N103.7°90.0°
C6AC7C8C90.2°90.0°
C7C6AC6H60.9°90.0°
C6AC7C8H10179.8°90.0°
C8C7C6AC6179.2°90.0°
C8C7C6AC100.2°90.0°
C7C8C9N104.3°90.0°
C7C8C9H10180.0°90.0°
C7C8C9C9A179.2°90.0°
C6AC6C5H6180.0°90.0°
C6AC6C5C4A0.9°90.0°
C6C6AC10C1A2.0°90.0°
C6C6AC10N10177.0°90.0°
C6C6AC7H50.9°90.0°
C6AC6C5H7179.1°90.0°
C10C6AC6C51.6°90.0°
C6AC10C1AC4A1.8°90.0°
C6AC10C1AN1179.1°90.0°
C6AC10C1AN10174.3°90.0°
C6AC10N10C97.5°90.0°
C10C6AC7H5179.7°90.0°
C10C6AC6H6178.4°90.0°
C6C5C4AH7180.0°90.0°
C6C5C4AC4179.2°90.0°
C6C5C4AC1A0.9°90.0°
C5C4AC4C1A179.9°90.0°
C5C4AC4C3179.7°90.0°
C5C4AC1AN1178.9°90.0°
C5C4AC1AC101.4°90.0°
C4AC5C6H6179.1°90.0°
C5C4AC4H80.2°90.0°
C4AC4C3H8180.0°90.0°
C4AC4C3C20.3°90.0°
C4C4AC1AN11.2°90.0°
C4C4AC1AC10178.7°90.0°
C4C4AC5H70.8°90.0°
C4AC4C3H9179.7°90.0°
C1AC4AC4C30.2°90.0°
C4AC1AN1C23.1°90.0°
C4AC1AN1C10177.4°90.0°
C4AC1AC10N10176.1°90.0°
C1AC4AC5H7179.1°90.0°
C1AC4AC4H8179.9°90.0°
C4C3C2H9180.0°90.0°
C4C3C2N12.1°90.0°
C4C3C2C2A180.0°90.0°
C3C2N1C2A177.9°90.0°
C3C2N1C1A3.8°90.0°
C2C3C4H8179.7°90.0°
C3C2C2AH11180.0°90.0°
C3C2C2AH1260.0°90.0°
C3C2C2AH1360.0°90.0°
C2N1C1AC10179.4°90.0°
N1C2C3H9177.9°90.0°
N1C2C2AH112.0°90.0°
N1C2C2AH12118.0°90.0°
N1C2C2AH13122.0°90.0°
C2AC2N1C1A178.3°90.0°
C2AC2C3H90.0°90.0°
C2C2AH11H12120.0°90.0°
C2C2AH11H13120.0°90.0°
C2C2AH12H13120.0°90.0°
N1C1AC10N106.7°90.0°
C1AC10N10C9178.5°90.0°
C10N10C9C88.1°90.0°
C10N10C9C9A175.9°90.0°
N10C9C8C9A176.5°90.0°
N10C9C8H10175.7°90.0°
N10C9C9AH14180.0°90.0°
N10C9C9AH1560.0°90.0°
N10C9C9AH1660.0°90.0°
C9C8C7H5179.8°90.0°
C8C9C9AH143.5°90.0°
C8C9C9AH15123.5°90.0°
C8C9C9AH16116.5°90.0°
C9AC9C8H100.8°90.0°
C9C9AH14H15120.0°90.0°
C9C9AH14H16120.0°90.0°
C9C9AH15H16120.0°90.0°
CACBC52N222.3°90.0°
CACBC52N1254.1°90.0°
CACBC52C42132.9°90.0°
CBCAH17N5180.0°90.0°
CACBN2N490.0°90.0°
CBCAN5N490.0°90.0°
CBCAN5C190.0°90.0°
CBC52N12CM15.8°90.0°
CBC52N12C42173.9°90.0°
CBC52N12C22176.3°90.0°
CBC52C42N3176.8°90.0°
C52CBCAH17159.3°90.0°
CBC52C42H233.1°90.0°
C52CBN2N490.0°90.0°
C52CBCAN520.7°90.0°
CM1N12C52C22177.9°90.0°
CM1N12C52C42179.6°90.0°
CM1N12C22N3180.0°90.0°
N12CM1H20H21120.0°90.0°
N12CM1H20H22120.0°90.0°
N12CM1H21H22120.0°90.0°
CM1N12C22H240.0°90.0°
N12C52C42N32.1°90.0°
C52N12C22N31.9°90.0°
C52N12CM1H20180.0°90.0°
C52N12CM1H2160.0°90.0°
C52N12CM1H2260.0°90.0°
N12C52C42H23177.9°90.0°
C52N12C22H24178.1°90.0°
N12C52CBN231.8°90.0°
C22N12C52C422.4°90.0°
N12C22N3C420.5°90.0°
N12C22N3H24180.0°90.0°
C22N12CM1H202.3°90.0°
C22N12CM1H21122.3°90.0°
C22N12CM1H22117.8°90.0°
C52C42N3H23180.0°90.0°
C52C42N3C221.0°90.0°
C42C52CBN2155.2°90.0°
C42N3C22H24179.5°90.0°
C22N3C42H23179.0°90.0°
H1C11C12H3135.8°90.0°
H1C11C12H44.4°90.0°
H2C11C12H34.4°90.0°
H2C11C12H4135.8°90.0°
H5C7C8H100.3°90.0°
H6C6C5H70.9°90.0°
H8C4C3H90.3°90.0°
H11C2AH12H13120.0°90.0°
H14C9AH15H16120.0°90.0°
H17CACBN2180.0°90.0°
H17CAN5N490.0°90.0°
H17CAN5C190.0°90.0°
H20CM1H21H22120.0°90.0°
CBN2N4N590.0°90.0°
N2CBCAN5NaN°90.0°
N2N4N5CA90.0°90.0°
N2N4N5C190.0°90.0°
N4N5CAC190.0°90.0°
N4N5C1C1390.0°90.0°
N4N5C1O190.0°90.0°
N4N5C1H1890.0°90.0°
CAN5C1C1390.0°90.0°
CAN5C1O190.0°90.0°
CAN5C1H1890.0°90.0°
N5C1C13O190.0°90.0°
N5C1C13H1890.0°90.0°
N5C1C13C1490.0°90.0°
N5C1O1C1690.0°90.0°
N5C1O1H1890.0°90.0°
N5C1C13O390.0°90.0°
N5C1C13H1990.0°90.0°
C1C13C14O390.0°90.0°
C1C13C14H1990.0°90.0°
C1C13C14C1590.0°90.0°
C13C1O1C1690.0°90.0°
C13C1O1H1890.0°90.0°
C1C13O3H1990.0°90.0°
C1C13C14O290.0°90.0°
C1C13C14H2590.0°90.0°
C1C13O3H2890.0°90.0°
C13C14C15O290.0°90.0°
C13C14C15H2590.0°90.0°
C13C14C15C1690.0°90.0°
C14C13C1O190.0°90.0°
C14C13O3H1990.0°90.0°
C13C14O2H2590.0°90.0°
C13C14C15O490.0°90.0°
C14C13C1H1890.0°90.0°
C13C14C15H2690.0°90.0°
C14C13O3H2890.0°90.0°
C13C14O2H2990.0°90.0°
C14C15C16O490.0°90.0°
C14C15C16H2690.0°90.0°
C14C15C16O190.0°90.0°
C15C14C13O390.0°90.0°
C15C14O2H2590.0°90.0°
C14C15O4H2690.0°90.0°
C14C15C16O590.0°90.0°
C15C14C13H1990.0°90.0°
C14C15C16H2790.0°90.0°
C15C14O2H2990.0°90.0°
C14C15O4H3090.0°90.0°
C15C16O1O590.0°90.0°
C15C16O1H2790.0°90.0°
C15C16O1C190.0°90.0°
C16C15C14O290.0°90.0°
C16C15O4H2690.0°90.0°
C15C16O5H2790.0°90.0°
C16C15C14H2590.0°90.0°
C16C15O4H3090.0°90.0°
C15C16O5H3190.0°90.0°
O1C16C15O490.0°90.0°
O1C16O5H2790.0°90.0°
C16O1C1H1890.0°90.0°
O1C16C15H2690.0°90.0°
O1C16O5H3190.0°90.0°
O1C1C13O390.0°90.0°
C1O1C16O590.0°90.0°
O1C1C13H1990.0°90.0°
C1O1C16H2790.0°90.0°
O3C13C14O290.0°90.0°
O3C13C1H1890.0°90.0°
O3C13C14H2590.0°90.0°
O2C14C15O490.0°90.0°
O2C14C13H1990.0°90.0°
O2C14C15H2690.0°90.0°
O4C15C16O590.0°90.0°
O4C15C14H2590.0°90.0°
O4C15C16H2790.0°90.0°
O5C16C15H2690.0°90.0°
H18C1C13H1990.0°90.0°
H19C13C14H2590.0°90.0°
H19C13O3H2890.0°90.0°
H25C14C15H2690.0°90.0°
H25C14O2H2990.0°90.0°
H26C15C16H2790.0°90.0°
H26C15O4H3090.0°90.0°
H27C16O5H3190.0°90.0°

220472

PDB entries from 2024-05-29

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