5L3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.50Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | SAG | sing | 1.81Å | 1.79Å | |
O2 | CBE | sing | 1.34Å | 1.39Å | |
O2 | C2 | sing | 1.45Å | 1.50Å | |
C5 | C4 | sing | 1.53Å | 1.52Å | |
C5 | C6 | sing | 1.53Å | 1.45Å | |
C5 | O5 | sing | 1.43Å | 1.50Å | |
CBI | CBE | sing | 1.51Å | 1.49Å | |
CBE | OBH | doub | 1.21Å | 1.20Å | |
C2 | C3 | sing | 1.53Å | 1.47Å | |
C3 | O3 | sing | 1.43Å | 1.49Å | |
C3 | C4 | sing | 1.53Å | 1.49Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
SAG | OAH | doub | 1.42Å | 1.46Å | |
SAG | OAJ | doub | 1.42Å | 1.46Å | |
SAG | NAB | sing | 1.66Å | 1.37Å | |
NAB | CAC | sing | 1.47Å | 1.44Å | |
NAB | CAA | sing | 1.47Å | 1.45Å | |
CAC | CAD | sing | 1.53Å | 1.52Å | |
CAD | CAE | sing | 1.53Å | 1.45Å | |
CAA | CAF | sing | 1.53Å | 1.51Å | |
CAF | CAE | sing | 1.53Å | 1.43Å | |
CAE | OAK | sing | 1.43Å | 1.48Å | |
OAK | SAL | sing | 1.52Å | 1.48Å | |
SAL | OAN | doub | 1.42Å | 1.43Å | |
SAL | OAO | doub | 1.42Å | 1.40Å | |
SAL | NAM | sing | 1.66Å | 1.51Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
CBI | H3A | sing | 1.09Å | 1.10Å | |
CBI | H4A | sing | 1.09Å | 1.10Å | |
CBI | H5A | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
CAC | H16 | sing | 1.09Å | 1.10Å | |
CAC | H17 | sing | 1.09Å | 1.10Å | |
CAD | H18 | sing | 1.09Å | 1.10Å | |
CAD | H19 | sing | 1.09Å | 1.10Å | |
CAA | H20 | sing | 1.09Å | 1.10Å | |
CAF | H21 | sing | 1.09Å | 1.10Å | |
CAF | H22 | sing | 1.09Å | 1.10Å | |
CAE | H23 | sing | 1.09Å | 1.10Å | |
NAM | H24 | sing | 0.97Å | 1.00Å | |
NAM | H25 | sing | 0.97Å | 1.00Å | |
CAA | H14 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 112.4° | 109.5° |
C2 | C1 | SAG | 116.3° | 109.5° |
C1 | C2 | O2 | 108.6° | 109.5° |
C1 | C2 | C3 | 117.0° | 109.1° |
C2 | C1 | H1 | 110.5° | 109.5° |
C1 | C2 | H2 | 106.2° | 109.5° |
O5 | C1 | SAG | 98.4° | 109.4° |
C1 | O5 | C5 | 115.6° | 114.1° |
O5 | C1 | H1 | 111.6° | 109.5° |
C1 | SAG | OAH | 98.6° | 110.5° |
C1 | SAG | OAJ | 114.7° | 110.6° |
C1 | SAG | NAB | 106.3° | 104.5° |
SAG | C1 | H1 | 107.0° | 109.5° |
CBE | O2 | C2 | 124.7° | 116.9° |
O2 | CBE | CBI | 118.9° | 120.0° |
O2 | CBE | OBH | 120.7° | 120.1° |
O2 | C2 | C3 | 111.4° | 109.5° |
O2 | C2 | H2 | 106.4° | 109.6° |
C4 | C5 | C6 | 113.8° | 109.4° |
C4 | C5 | O5 | 99.8° | 109.4° |
C5 | C4 | C3 | 107.0° | 109.2° |
C5 | C4 | O4 | 104.7° | 109.6° |
C4 | C5 | H5 | 108.6° | 109.4° |
C5 | C4 | H4 | 110.1° | 109.5° |
C6 | C5 | O5 | 115.7° | 109.5° |
C5 | C6 | O6 | 115.5° | 109.4° |
C6 | C5 | H5 | 109.6° | 109.5° |
C5 | C6 | H61 | 107.9° | 109.5° |
C5 | C6 | H62 | 107.9° | 109.5° |
O5 | C5 | H5 | 108.8° | 109.5° |
CBI | CBE | OBH | 120.4° | 119.9° |
CBE | CBI | H3A | 109.5° | 109.5° |
CBE | CBI | H4A | 109.4° | 109.5° |
CBE | CBI | H5A | 109.5° | 109.5° |
C2 | C3 | O3 | 109.3° | 109.5° |
C2 | C3 | C4 | 120.2° | 109.1° |
C3 | C2 | H2 | 106.6° | 109.6° |
C2 | C3 | H3 | 105.3° | 109.5° |
O3 | C3 | C4 | 110.5° | 109.6° |
O3 | C3 | H3 | 105.1° | 109.5° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 113.0° | 109.5° |
C4 | C3 | H3 | 105.1° | 109.6° |
C3 | C4 | H4 | 110.5° | 109.4° |
O4 | C4 | H4 | 111.3° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
O6 | C6 | H61 | 107.9° | 109.4° |
O6 | C6 | H62 | 108.0° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
OAH | SAG | OAJ | 102.2° | 121.0° |
OAH | SAG | NAB | 117.3° | 104.3° |
OAJ | SAG | NAB | 116.6° | 104.3° |
SAG | NAB | CAC | 119.7° | 120.6° |
SAG | NAB | CAA | 114.4° | 120.6° |
CAC | NAB | CAA | 119.4° | 118.8° |
NAB | CAC | CAD | 112.5° | 108.7° |
NAB | CAC | H16 | 108.7° | 109.6° |
NAB | CAC | H17 | 108.7° | 109.6° |
NAB | CAA | CAF | 115.8° | 108.8° |
NAB | CAA | H20 | 107.9° | 109.6° |
NAB | CAA | H14 | 107.9° | 109.6° |
CAC | CAD | CAE | 117.2° | 109.3° |
CAD | CAC | H16 | 108.7° | 109.6° |
CAD | CAC | H17 | 108.7° | 109.6° |
CAC | CAD | H18 | 107.5° | 109.5° |
CAC | CAD | H19 | 107.5° | 109.5° |
CAD | CAE | CAF | 118.2° | 109.7° |
CAD | CAE | OAK | 105.4° | 109.5° |
CAE | CAD | H18 | 107.5° | 109.5° |
CAE | CAD | H19 | 107.5° | 109.5° |
CAD | CAE | H23 | 111.7° | 109.4° |
CAA | CAF | CAE | 110.2° | 109.2° |
CAF | CAA | H20 | 107.9° | 109.6° |
CAA | CAF | H21 | 109.3° | 109.5° |
CAA | CAF | H22 | 109.3° | 109.5° |
CAF | CAA | H14 | 107.9° | 109.6° |
CAF | CAE | OAK | 97.0° | 109.6° |
CAE | CAF | H21 | 109.3° | 109.6° |
CAE | CAF | H22 | 109.3° | 109.5° |
CAF | CAE | H23 | 112.0° | 109.2° |
CAE | OAK | SAL | 126.7° | 114.0° |
OAK | CAE | H23 | 111.2° | 109.4° |
OAK | SAL | OAN | 122.1° | 106.5° |
OAK | SAL | OAO | 96.2° | 106.4° |
OAK | SAL | NAM | 115.5° | 107.2° |
OAN | SAL | OAO | 88.5° | 123.2° |
OAN | SAL | NAM | 120.4° | 106.4° |
OAO | SAL | NAM | 99.3° | 106.4° |
SAL | NAM | H24 | 109.5° | 119.9° |
SAL | NAM | H25 | 109.5° | 120.0° |
H3A | CBI | H4A | 109.5° | 109.5° |
H3A | CBI | H5A | 109.5° | 109.5° |
H4A | CBI | H5A | 109.4° | 109.4° |
H61 | C6 | H62 | 109.5° | 109.5° |
H16 | CAC | H17 | 109.5° | 109.7° |
H18 | CAD | H19 | 109.5° | 109.4° |
H20 | CAA | H14 | 109.4° | 109.7° |
H21 | CAF | H22 | 109.5° | 109.5° |
H24 | NAM | H25 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | SAG | 123.1° | 120.0° |
C2 | C1 | O5 | H1 | 124.8° | 120.0° |
C2 | C1 | SAG | H1 | 124.0° | 120.0° |
C1 | C2 | O2 | CBE | 104.0° | 150.0° |
C1 | C2 | O2 | C3 | 130.2° | 119.6° |
C1 | C2 | O2 | H2 | 114.0° | 120.1° |
C2 | C1 | O5 | C5 | 46.2° | 61.1° |
C1 | C2 | C3 | H2 | 118.7° | 119.9° |
C1 | C2 | C3 | O3 | 142.3° | 176.8° |
C1 | C2 | C3 | C4 | 13.0° | 57.0° |
C2 | C1 | SAG | OAH | 163.5° | 68.4° |
C2 | C1 | SAG | OAJ | 88.7° | 68.3° |
C2 | C1 | SAG | NAB | 41.6° | 180.0° |
C1 | C2 | C3 | H3 | 105.2° | 63.0° |
O5 | C1 | SAG | H1 | 115.8° | 120.0° |
O5 | C1 | C2 | O2 | 114.4° | 62.3° |
C1 | O5 | C5 | C4 | 74.8° | 61.1° |
C1 | O5 | C5 | C6 | 47.8° | 58.8° |
O5 | C1 | C2 | C3 | 12.6° | 57.6° |
O5 | C1 | SAG | OAH | 43.4° | 171.6° |
O5 | C1 | SAG | OAJ | 151.1° | 51.6° |
O5 | C1 | SAG | NAB | 78.5° | 60.0° |
C1 | O5 | C5 | H5 | 171.6° | 178.9° |
O5 | C1 | C2 | H2 | 131.5° | 177.6° |
SAG | C1 | C2 | O2 | 2.1° | 57.7° |
SAG | C1 | O5 | C5 | 169.3° | 178.9° |
SAG | C1 | C2 | C3 | 125.0° | 177.5° |
C1 | SAG | OAH | OAJ | 117.7° | 131.5° |
C1 | SAG | OAH | NAB | 113.5° | 111.7° |
C1 | SAG | OAJ | NAB | 125.1° | 111.8° |
C1 | SAG | NAB | CAC | 122.5° | 90.0° |
C1 | SAG | NAB | CAA | 86.1° | 90.3° |
SAG | C1 | C2 | H2 | 116.1° | 62.5° |
O2 | CBE | CBI | OBH | 178.2° | 179.9° |
CBE | O2 | C2 | C3 | 125.8° | 90.4° |
O2 | CBE | CBI | H3A | 178.2° | 0.0° |
O2 | CBE | CBI | H4A | 58.2° | 120.0° |
O2 | CBE | CBI | H5A | 61.8° | 120.0° |
CBE | O2 | C2 | H2 | 10.0° | 29.9° |
C2 | O2 | CBE | CBI | 37.0° | 180.0° |
C2 | O2 | CBE | OBH | 144.8° | 0.1° |
O2 | C2 | C3 | H2 | 115.6° | 120.3° |
O2 | C2 | C3 | O3 | 16.7° | 57.0° |
O2 | C2 | C3 | C4 | 112.7° | 62.9° |
O2 | C2 | C1 | H1 | 120.2° | 177.7° |
O2 | C2 | C3 | H3 | 129.1° | 177.1° |
C4 | C5 | C6 | O5 | 114.8° | 119.9° |
C4 | C5 | C6 | H5 | 121.8° | 120.0° |
C4 | C5 | O5 | H5 | 113.6° | 120.0° |
C5 | C4 | C3 | C2 | 42.6° | 57.0° |
C5 | C4 | C3 | O3 | 171.4° | 176.8° |
C5 | C4 | C3 | O4 | 114.7° | 119.9° |
C5 | C4 | C3 | H4 | 119.9° | 119.9° |
C5 | C4 | O4 | H4 | 118.9° | 120.2° |
C4 | C5 | C6 | O6 | 125.5° | 175.0° |
C5 | C4 | C3 | H3 | 75.7° | 62.9° |
C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
C4 | C5 | C6 | H61 | 113.6° | 55.0° |
C4 | C5 | C6 | H62 | 4.6° | 65.0° |
C6 | C5 | O5 | H5 | 123.8° | 120.1° |
C6 | C5 | C4 | C3 | 57.1° | 62.4° |
C6 | C5 | C4 | O4 | 63.1° | 57.5° |
C5 | C6 | O6 | H61 | 120.9° | 120.0° |
C5 | C6 | O6 | H62 | 120.9° | 120.0° |
C6 | C5 | C4 | H4 | 177.2° | 177.8° |
C5 | C6 | H61 | H62 | 117.2° | 120.1° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C4 | C3 | 66.8° | 57.6° |
O5 | C5 | C4 | O4 | 173.0° | 177.5° |
O5 | C5 | C6 | O6 | 10.7° | 65.1° |
C5 | O5 | C1 | H1 | 78.5° | 58.9° |
O5 | C5 | C4 | H4 | 53.3° | 62.3° |
O5 | C5 | C6 | H61 | 131.6° | 175.0° |
O5 | C5 | C6 | H62 | 110.2° | 54.9° |
CBE | CBI | H3A | H4A | 120.0° | 120.0° |
CBE | CBI | H3A | H5A | 120.0° | 120.0° |
CBE | CBI | H4A | H5A | 120.0° | 120.0° |
OBH | CBE | CBI | H3A | 0.0° | 180.0° |
OBH | CBE | CBI | H4A | 120.0° | 60.0° |
OBH | CBE | CBI | H5A | 120.0° | 60.0° |
C2 | C3 | O3 | C4 | 134.4° | 119.6° |
C2 | C3 | O3 | H3 | 112.6° | 120.1° |
C2 | C3 | C4 | H3 | 118.3° | 119.9° |
C2 | C3 | C4 | O4 | 157.3° | 176.9° |
C3 | C2 | C1 | H1 | 112.8° | 62.4° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
C2 | C3 | C4 | H4 | 77.3° | 62.9° |
O3 | C3 | C4 | H3 | 112.9° | 120.2° |
O3 | C3 | C4 | O4 | 73.9° | 63.2° |
O3 | C3 | C2 | H2 | 99.0° | 63.2° |
O3 | C3 | C4 | H4 | 51.5° | 56.9° |
C3 | C4 | O4 | H4 | 125.0° | 120.1° |
C3 | C4 | C5 | H5 | 179.5° | 177.6° |
C4 | C3 | C2 | H2 | 131.7° | 176.9° |
C4 | C3 | O3 | HO3 | 45.6° | 60.4° |
C3 | C4 | O4 | HO4 | 63.9° | 179.7° |
O4 | C4 | C5 | H5 | 59.3° | 62.5° |
O4 | C4 | C3 | H3 | 39.0° | 57.0° |
O6 | C6 | C5 | H5 | 112.7° | 55.0° |
O6 | C6 | H61 | H62 | 117.3° | 120.0° |
OAH | SAG | OAJ | NAB | 129.3° | 116.7° |
OAH | SAG | NAB | CAC | 128.4° | 26.1° |
OAH | SAG | NAB | CAA | 23.0° | 153.6° |
OAH | SAG | C1 | H1 | 72.4° | 51.7° |
OAJ | SAG | NAB | CAC | 6.8° | 153.9° |
OAJ | SAG | NAB | CAA | 144.6° | 25.8° |
OAJ | SAG | C1 | H1 | 35.3° | 171.6° |
SAG | NAB | CAC | CAA | 150.0° | 179.7° |
SAG | NAB | CAC | CAD | 177.7° | 126.4° |
SAG | NAB | CAA | CAF | 144.9° | 126.4° |
NAB | SAG | C1 | H1 | 165.7° | 59.9° |
SAG | NAB | CAC | H16 | 61.8° | 6.6° |
SAG | NAB | CAC | H17 | 57.3° | 113.8° |
SAG | NAB | CAA | H20 | 94.1° | 113.8° |
SAG | NAB | CAA | H14 | 24.0° | 6.6° |
NAB | CAC | CAD | H16 | 120.5° | 119.8° |
NAB | CAC | CAD | H17 | 120.5° | 119.7° |
NAB | CAC | CAD | CAE | 33.1° | 54.6° |
CAC | NAB | CAA | CAF | 6.6° | 53.9° |
NAB | CAC | H16 | H17 | 118.6° | 120.4° |
NAB | CAC | CAD | H18 | 154.2° | 65.4° |
NAB | CAC | CAD | H19 | 88.1° | 174.6° |
CAC | NAB | CAA | H20 | 114.4° | 65.9° |
CAC | NAB | CAA | H14 | 127.5° | 173.7° |
CAA | NAB | CAC | CAD | 32.2° | 53.9° |
NAB | CAA | CAF | H20 | 120.9° | 119.8° |
NAB | CAA | CAF | H14 | 120.9° | 119.8° |
NAB | CAA | CAF | CAE | 46.0° | 54.5° |
CAA | NAB | CAC | H16 | 88.2° | 173.7° |
CAA | NAB | CAC | H17 | 152.7° | 65.8° |
NAB | CAA | H20 | H14 | 117.1° | 120.4° |
NAB | CAA | CAF | H21 | 166.1° | 174.6° |
NAB | CAA | CAF | H22 | 74.1° | 65.3° |
CAC | CAD | CAE | H18 | 121.1° | 120.0° |
CAC | CAD | CAE | H19 | 121.1° | 120.0° |
CAC | CAD | CAE | CAF | 7.0° | 61.1° |
CAC | CAD | CAE | OAK | 113.9° | 178.6° |
CAD | CAC | H16 | H17 | 118.6° | 120.4° |
CAC | CAD | H18 | H19 | 116.5° | 120.1° |
CAC | CAD | CAE | H23 | 125.1° | 58.7° |
CAD | CAE | CAF | CAA | 45.6° | 61.1° |
CAD | CAE | CAF | OAK | 111.7° | 120.2° |
CAD | CAE | CAF | H23 | 132.0° | 120.0° |
CAD | CAE | OAK | H23 | 121.2° | 119.9° |
CAD | CAE | OAK | SAL | 132.1° | 96.7° |
CAE | CAD | CAC | H16 | 87.4° | 174.4° |
CAE | CAD | CAC | H17 | 153.5° | 65.1° |
CAE | CAD | H18 | H19 | 116.5° | 120.0° |
CAD | CAE | CAF | H21 | 165.7° | 179.0° |
CAD | CAE | CAF | H22 | 74.5° | 58.8° |
CAA | CAF | CAE | H21 | 120.1° | 119.9° |
CAA | CAF | CAE | H22 | 120.1° | 119.9° |
CAA | CAF | CAE | OAK | 157.3° | 178.7° |
CAF | CAA | H20 | H14 | 117.1° | 120.3° |
CAA | CAF | H21 | H22 | 119.7° | 120.1° |
CAA | CAF | CAE | H23 | 86.4° | 58.9° |
CAF | CAE | OAK | H23 | 116.9° | 119.8° |
CAF | CAE | OAK | SAL | 106.1° | 143.0° |
CAF | CAE | CAD | H18 | 114.1° | 58.9° |
CAF | CAE | CAD | H19 | 128.1° | 178.9° |
CAE | CAF | CAA | H20 | 74.9° | 65.3° |
CAE | CAF | H21 | H22 | 119.7° | 120.1° |
CAE | CAF | CAA | H14 | 167.0° | 174.3° |
CAE | OAK | SAL | OAN | 63.8° | 173.2° |
CAE | OAK | SAL | OAO | 155.9° | 40.3° |
CAE | OAK | SAL | NAM | 100.7° | 73.2° |
OAK | CAE | CAD | H18 | 7.2° | 61.4° |
OAK | CAE | CAD | H19 | 124.9° | 58.6° |
OAK | CAE | CAF | H21 | 82.6° | 58.8° |
OAK | CAE | CAF | H22 | 37.3° | 61.4° |
OAK | SAL | OAN | OAO | 96.4° | 123.0° |
OAK | SAL | OAN | NAM | 163.7° | 114.1° |
OAK | SAL | OAO | NAM | 117.2° | 114.0° |
SAL | OAK | CAE | H23 | 10.8° | 23.3° |
OAK | SAL | NAM | H24 | 180.0° | 155.1° |
OAK | SAL | NAM | H25 | 60.0° | 24.9° |
OAN | SAL | OAO | NAM | 120.6° | 123.0° |
OAN | SAL | NAM | H24 | 15.3° | 41.5° |
OAN | SAL | NAM | H25 | 135.3° | 138.5° |
OAO | SAL | NAM | H24 | 78.5° | 91.5° |
OAO | SAL | NAM | H25 | 41.5° | 88.6° |
SAL | NAM | H24 | H25 | 120.0° | 180.0° |
H1 | C1 | C2 | H2 | 6.1° | 57.6° |
H5 | C5 | C4 | H4 | 60.4° | 57.8° |
H5 | C5 | C6 | H61 | 8.2° | 65.0° |
H5 | C5 | C6 | H62 | 126.4° | 175.0° |
H3A | CBI | H4A | H5A | 120.0° | 120.0° |
H2 | C2 | C3 | H3 | 13.5° | 56.9° |
H3 | C3 | O3 | HO3 | 67.4° | 59.9° |
H3 | C3 | C4 | H4 | 164.4° | 177.2° |
H4 | C4 | O4 | HO4 | 61.1° | 60.2° |
H61 | C6 | O6 | HO6 | 59.2° | 60.0° |
H62 | C6 | O6 | HO6 | 59.1° | 60.0° |
H16 | CAC | CAD | H18 | 33.7° | 54.4° |
H16 | CAC | CAD | H19 | 151.5° | 65.6° |
H17 | CAC | CAD | H18 | 85.4° | 174.9° |
H17 | CAC | CAD | H19 | 32.4° | 54.9° |
H18 | CAD | CAE | H23 | 113.7° | 178.7° |
H19 | CAD | CAE | H23 | 4.0° | 61.3° |
H20 | CAA | CAF | H21 | 45.2° | 54.8° |
H20 | CAA | CAF | H22 | 165.0° | 174.9° |
H21 | CAF | CAE | H23 | 33.7° | 61.1° |
H21 | CAF | CAA | H14 | 73.0° | 65.6° |
H22 | CAF | CAE | H23 | 153.5° | 178.8° |
H22 | CAF | CAA | H14 | 46.9° | 54.5° |