9OK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.55Å | 1.53Å | |
| C5 | O5 | sing | 1.44Å | 1.45Å | |
| C4 | C3 | sing | 1.55Å | 1.51Å | |
| O5 | C2 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.54Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | O2 | sing | 1.43Å | 1.47Å | |
| O2 | CAG | sing | 1.43Å | 1.45Å | |
| CAG | CAH | sing | 1.53Å | 1.50Å | |
| CAH | CAK | sing | 1.51Å | 1.37Å | |
| CAE | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | OAB | sing | 1.36Å | 1.36Å | |
| CAJ | OAC | sing | 1.36Å | 1.36Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| CAF | H5A | sing | 1.08Å | 1.08Å | |
| OAC | H6 | sing | 0.97Å | 0.95Å | |
| OAB | H7 | sing | 0.97Å | 0.95Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11A | sing | 1.09Å | 1.10Å | |
| CAG | H12A | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 108.6° | 109.5° |
| O6 | C6 | H61 | 109.7° | 109.5° |
| O6 | C6 | H62 | 109.7° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C4 | C5 | 110.6° | 111.2° |
| O4 | C4 | C3 | 110.8° | 111.1° |
| O4 | C4 | H4 | 112.1° | 111.0° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C6 | C5 | C4 | 112.1° | 110.3° |
| C6 | C5 | O5 | 107.9° | 110.4° |
| C6 | C5 | H5 | 109.4° | 110.3° |
| C5 | C6 | H61 | 109.7° | 109.5° |
| C5 | C6 | H62 | 109.7° | 109.5° |
| C4 | C5 | O5 | 107.6° | 105.1° |
| C5 | C4 | C3 | 101.6° | 100.9° |
| C5 | C4 | H4 | 110.5° | 111.1° |
| C4 | C5 | H5 | 109.4° | 110.3° |
| C5 | O5 | C2 | 108.4° | 110.0° |
| O5 | C5 | H5 | 110.5° | 110.4° |
| C4 | C3 | C2 | 103.3° | 102.3° |
| C4 | C3 | O3 | 112.8° | 110.9° |
| C3 | C4 | H4 | 110.8° | 111.2° |
| C4 | C3 | H3 | 109.6° | 110.9° |
| O5 | C2 | C3 | 106.5° | 107.6° |
| O5 | C2 | C1 | 110.8° | 109.8° |
| O5 | C2 | O2 | 113.2° | 109.8° |
| C2 | C3 | O3 | 110.8° | 110.9° |
| C3 | C2 | C1 | 107.0° | 109.9° |
| C3 | C2 | O2 | 112.5° | 109.8° |
| C2 | C3 | H3 | 109.5° | 110.8° |
| O3 | C3 | H3 | 110.7° | 110.9° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C2 | C1 | O1 | 105.9° | 109.5° |
| C1 | C2 | O2 | 106.6° | 109.8° |
| C2 | C1 | H11 | 110.4° | 109.5° |
| C2 | C1 | H12 | 110.3° | 109.5° |
| O1 | C1 | H11 | 110.3° | 109.4° |
| O1 | C1 | H12 | 110.4° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C2 | O2 | CAG | 124.6° | 114.0° |
| O2 | CAG | CAH | 103.1° | 109.5° |
| O2 | CAG | H12A | 111.0° | 109.5° |
| O2 | CAG | H13 | 111.0° | 109.5° |
| CAG | CAH | CAK | 109.7° | 109.5° |
| CAG | CAH | H10 | 109.4° | 109.5° |
| CAG | CAH | H11A | 109.4° | 109.5° |
| CAH | CAG | H12A | 111.0° | 109.5° |
| CAH | CAG | H13 | 111.1° | 109.5° |
| CAH | CAK | CAE | 120.3° | 119.9° |
| CAH | CAK | CAF | 119.8° | 119.9° |
| CAK | CAH | H10 | 109.4° | 109.5° |
| CAK | CAH | H11A | 109.4° | 109.5° |
| CAK | CAE | CAD | 120.2° | 120.1° |
| CAE | CAK | CAF | 119.8° | 120.2° |
| CAK | CAE | H9 | 119.9° | 119.9° |
| CAE | CAD | CAI | 119.8° | 120.0° |
| CAE | CAD | H8 | 120.1° | 120.0° |
| CAD | CAE | H9 | 119.9° | 119.9° |
| CAK | CAF | CAJ | 119.8° | 120.0° |
| CAK | CAF | H5A | 120.1° | 120.0° |
| CAD | CAI | CAJ | 120.0° | 119.9° |
| CAD | CAI | OAB | 122.1° | 120.1° |
| CAI | CAD | H8 | 120.1° | 120.0° |
| CAF | CAJ | CAI | 120.3° | 119.8° |
| CAF | CAJ | OAC | 122.0° | 120.1° |
| CAJ | CAF | H5A | 120.1° | 119.9° |
| CAJ | CAI | OAB | 117.9° | 120.0° |
| CAI | CAJ | OAC | 117.6° | 120.1° |
| CAI | OAB | H7 | 109.5° | 114.0° |
| CAJ | OAC | H6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H10 | CAH | H11A | 109.5° | 109.5° |
| H12A | CAG | H13 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H61 | 119.9° | 120.1° |
| O6 | C6 | C5 | H62 | 119.9° | 120.0° |
| O6 | C6 | C5 | C4 | 172.7° | 175.0° |
| O6 | C6 | C5 | O5 | 69.1° | 69.3° |
| O6 | C6 | C5 | H5 | 51.2° | 52.9° |
| O6 | C6 | H61 | H62 | 120.5° | 119.9° |
| O4 | C4 | C5 | C6 | 97.1° | 86.7° |
| O4 | C4 | C5 | C3 | 117.6° | 117.9° |
| O4 | C4 | C5 | H4 | 124.7° | 124.1° |
| O4 | C4 | C5 | O5 | 144.5° | 154.4° |
| O4 | C4 | C3 | H4 | 125.1° | 124.1° |
| O4 | C4 | C3 | C2 | 152.1° | 152.1° |
| O4 | C4 | C3 | O3 | 88.2° | 89.7° |
| O4 | C4 | C5 | H5 | 24.4° | 35.4° |
| O4 | C4 | C3 | H3 | 35.5° | 33.9° |
| C6 | C5 | C4 | O5 | 118.4° | 119.0° |
| C6 | C5 | C4 | H5 | 121.5° | 122.0° |
| C6 | C5 | O5 | H5 | 119.6° | 122.1° |
| C6 | C5 | C4 | C3 | 145.3° | 155.4° |
| C6 | C5 | O5 | C2 | 128.8° | 143.4° |
| C6 | C5 | C4 | H4 | 27.6° | 37.4° |
| C5 | C6 | H61 | H62 | 120.4° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C4 | C5 | O5 | H5 | 119.3° | 118.9° |
| C5 | C4 | C3 | H4 | 117.4° | 117.9° |
| C4 | C5 | O5 | C2 | 7.7° | 24.4° |
| C5 | C4 | C3 | C2 | 34.6° | 34.1° |
| C5 | C4 | C3 | O3 | 154.3° | 152.3° |
| C4 | C5 | C6 | H61 | 67.5° | 54.9° |
| C4 | C5 | C6 | H62 | 52.8° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 68.4° |
| C5 | C4 | C3 | H3 | 82.0° | 84.0° |
| O5 | C5 | C4 | C3 | 26.8° | 36.4° |
| C5 | O5 | C2 | C3 | 14.9° | 1.7° |
| C5 | O5 | C2 | C1 | 130.9° | 117.9° |
| C5 | O5 | C2 | O2 | 109.3° | 121.2° |
| O5 | C5 | C4 | H4 | 90.8° | 81.5° |
| O5 | C5 | C6 | H61 | 50.8° | 170.7° |
| O5 | C5 | C6 | H62 | 171.0° | 50.7° |
| C4 | C3 | C2 | O5 | 31.7° | 21.3° |
| C4 | C3 | C2 | O3 | 121.0° | 118.2° |
| C4 | C3 | C2 | H3 | 116.7° | 118.2° |
| C4 | C3 | O3 | H3 | 123.2° | 123.6° |
| C4 | C3 | C2 | C1 | 150.2° | 140.9° |
| C4 | C3 | C2 | O2 | 93.0° | 98.1° |
| C3 | C4 | C5 | H5 | 93.2° | 82.6° |
| C3 | C4 | O4 | HO4 | 68.1° | 180.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 61.4° |
| O5 | C2 | C3 | C1 | 118.6° | 119.6° |
| O5 | C2 | C3 | O2 | 124.6° | 119.5° |
| O5 | C2 | C3 | O3 | 152.7° | 139.6° |
| O5 | C2 | C1 | O2 | 123.7° | 120.8° |
| O5 | C2 | C1 | O1 | 70.9° | 62.5° |
| O5 | C2 | O2 | CAG | 57.0° | 53.2° |
| C2 | O5 | C5 | H5 | 111.6° | 94.5° |
| O5 | C2 | C1 | H11 | 169.7° | 177.5° |
| O5 | C2 | C1 | H12 | 48.5° | 57.4° |
| O5 | C2 | C3 | H3 | 85.0° | 96.9° |
| C2 | C3 | O3 | H3 | 121.6° | 123.5° |
| C3 | C2 | C1 | O2 | 120.6° | 120.9° |
| C3 | C2 | C1 | O1 | 173.4° | 179.2° |
| C3 | C2 | O2 | CAG | 63.8° | 64.9° |
| C2 | C3 | C4 | H4 | 82.8° | 83.8° |
| C3 | C2 | C1 | H11 | 54.0° | 59.2° |
| C3 | C2 | C1 | H12 | 67.2° | 60.8° |
| C2 | C3 | O3 | HO3 | 64.8° | 174.3° |
| O3 | C3 | C2 | C1 | 88.8° | 100.8° |
| O3 | C3 | C2 | O2 | 28.0° | 20.1° |
| O3 | C3 | C4 | H4 | 36.8° | 34.4° |
| C2 | C1 | O1 | H11 | 119.4° | 120.0° |
| C2 | C1 | O1 | H12 | 119.4° | 120.0° |
| C1 | C2 | O2 | CAG | 179.2° | 174.1° |
| C2 | C1 | H11 | H12 | 121.7° | 120.0° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 33.6° | 22.7° |
| O1 | C1 | C2 | O2 | 52.8° | 58.3° |
| O1 | C1 | H11 | H12 | 121.7° | 120.0° |
| C2 | O2 | CAG | CAH | 122.7° | 174.5° |
| C2 | O2 | CAG | H12A | 3.7° | 65.5° |
| C2 | O2 | CAG | H13 | 118.3° | 54.5° |
| O2 | C2 | C1 | H11 | 66.7° | 61.7° |
| O2 | C2 | C1 | H12 | 172.2° | 178.3° |
| O2 | C2 | C3 | H3 | 150.4° | 143.6° |
| O2 | CAG | CAH | H12A | 119.0° | 120.0° |
| O2 | CAG | CAH | H13 | 119.0° | 120.0° |
| O2 | CAG | CAH | CAK | 172.5° | 180.0° |
| O2 | CAG | CAH | H10 | 52.5° | 60.0° |
| O2 | CAG | CAH | H11A | 67.4° | 60.0° |
| O2 | CAG | H12A | H13 | 122.9° | 120.0° |
| CAG | CAH | CAK | H10 | 120.0° | 120.0° |
| CAG | CAH | CAK | H11A | 120.0° | 120.0° |
| CAG | CAH | CAK | CAE | 95.0° | 89.9° |
| CAG | CAH | CAK | CAF | 87.7° | 90.5° |
| CAG | CAH | H10 | H11A | 119.9° | 120.0° |
| CAH | CAG | H12A | H13 | 123.0° | 120.0° |
| CAH | CAK | CAE | CAF | 177.3° | 179.5° |
| CAH | CAK | CAE | CAD | 178.5° | 180.0° |
| CAH | CAK | CAF | CAJ | 178.6° | 180.0° |
| CAH | CAK | CAF | H5A | 1.4° | 0.2° |
| CAH | CAK | CAE | H9 | 1.6° | 0.4° |
| CAK | CAH | H10 | H11A | 119.9° | 120.0° |
| CAK | CAH | CAG | H12A | 68.5° | 60.0° |
| CAK | CAH | CAG | H13 | 53.6° | 60.0° |
| CAK | CAE | CAD | H9 | 180.0° | 179.5° |
| CAK | CAE | CAD | CAI | 0.5° | 0.3° |
| CAE | CAK | CAF | CAJ | 1.2° | 0.5° |
| CAE | CAK | CAF | H5A | 178.8° | 179.7° |
| CAK | CAE | CAD | H8 | 179.5° | 179.8° |
| CAE | CAK | CAH | H10 | 145.0° | 150.0° |
| CAE | CAK | CAH | H11A | 25.0° | 30.1° |
| CAD | CAE | CAK | CAF | 1.1° | 0.5° |
| CAE | CAD | CAI | H8 | 180.0° | 179.9° |
| CAE | CAD | CAI | CAJ | 0.0° | 0.0° |
| CAE | CAD | CAI | OAB | 179.9° | 180.0° |
| CAK | CAF | CAJ | H5A | 180.0° | 179.8° |
| CAK | CAF | CAJ | CAI | 0.7° | 0.3° |
| CAK | CAF | CAJ | OAC | 179.3° | 179.7° |
| CAF | CAK | CAE | H9 | 178.9° | 180.0° |
| CAF | CAK | CAH | H10 | 32.3° | 29.5° |
| CAF | CAK | CAH | H11A | 152.3° | 149.5° |
| CAD | CAI | CAJ | CAF | 0.1° | 0.1° |
| CAD | CAI | CAJ | OAB | 179.9° | 179.9° |
| CAD | CAI | CAJ | OAC | 180.0° | 179.9° |
| CAD | CAI | OAB | H7 | 180.0° | 90.0° |
| CAI | CAD | CAE | H9 | 179.5° | 179.8° |
| CAF | CAJ | CAI | OAC | 180.0° | 180.0° |
| CAF | CAJ | CAI | OAB | 180.0° | 180.0° |
| CAF | CAJ | OAC | H6 | 180.0° | 90.0° |
| CAI | CAJ | CAF | H5A | 179.3° | 180.0° |
| CAI | CAJ | OAC | H6 | 0.1° | 90.0° |
| CAJ | CAI | OAB | H7 | 0.1° | 90.0° |
| CAJ | CAI | CAD | H8 | 180.0° | 180.0° |
| OAB | CAI | CAJ | OAC | 0.1° | 0.0° |
| OAB | CAI | CAD | H8 | 0.1° | 0.1° |
| OAC | CAJ | CAF | H5A | 0.7° | 0.1° |
| H4 | C4 | C5 | H5 | 149.1° | 159.5° |
| H4 | C4 | O4 | HO4 | 56.2° | 55.8° |
| H4 | C4 | C3 | H3 | 160.6° | 158.0° |
| H5 | C5 | C6 | H61 | 171.1° | 67.1° |
| H5 | C5 | C6 | H62 | 68.7° | 172.9° |
| H61 | C6 | O6 | HO6 | 60.2° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.1° | 60.0° |
| H8 | CAD | CAE | H9 | 0.5° | 0.3° |
| H10 | CAH | CAG | H12A | 171.5° | 180.0° |
| H10 | CAH | CAG | H13 | 66.5° | 60.0° |
| H11A | CAH | CAG | H12A | 51.6° | 60.0° |
| H11A | CAH | CAG | H13 | 173.6° | 180.0° |
| H11 | C1 | O1 | HO1 | 60.6° | 60.0° |
| H12 | C1 | O1 | HO1 | 60.6° | 60.0° |
| H3 | C3 | O3 | HO3 | 56.8° | 62.2° |
