2Q5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O5 | C10 | sing | 1.43Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | O4 | sing | 1.43Å | 1.47Å | |
| O4 | C8 | sing | 1.43Å | 1.46Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | O3 | sing | 1.43Å | 1.46Å | |
| O3 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | O2 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| OH | C2 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| OH | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| O5 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 108.0° | 109.5° |
| C12 | C11 | O4 | 111.2° | 109.4° |
| C12 | C11 | H20 | 106.7° | 109.5° |
| C11 | C12 | H21 | 109.5° | 109.4° |
| C11 | C12 | H22 | 109.4° | 109.5° |
| C11 | C12 | H23 | 109.4° | 109.4° |
| O5 | C10 | C11 | 113.2° | 109.5° |
| O5 | C10 | H24 | 108.5° | 109.5° |
| O5 | C10 | H25 | 108.6° | 109.4° |
| C10 | O5 | H26 | 109.5° | 114.0° |
| C10 | C11 | O4 | 116.2° | 109.5° |
| C10 | C11 | H20 | 106.7° | 109.5° |
| C11 | C10 | H24 | 108.5° | 109.5° |
| C11 | C10 | H25 | 108.5° | 109.5° |
| C11 | O4 | C8 | 120.6° | 114.0° |
| O4 | C11 | H20 | 107.5° | 109.4° |
| O4 | C8 | C7 | 119.0° | 109.4° |
| O4 | C8 | H18 | 107.0° | 109.4° |
| O4 | C8 | H19 | 107.0° | 109.5° |
| C8 | C7 | C9 | 111.6° | 109.5° |
| C8 | C7 | O3 | 113.0° | 109.4° |
| C8 | C7 | H14 | 105.7° | 109.4° |
| C7 | C8 | H18 | 107.0° | 109.5° |
| C7 | C8 | H19 | 107.0° | 109.5° |
| C9 | C7 | O3 | 113.3° | 109.5° |
| C9 | C7 | H14 | 105.9° | 109.5° |
| C7 | C9 | H15 | 109.5° | 109.4° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| C7 | C9 | H17 | 109.4° | 109.4° |
| C7 | O3 | C4 | 118.4° | 114.0° |
| O3 | C7 | H14 | 106.7° | 109.5° |
| O3 | C4 | C5 | 110.1° | 109.5° |
| O3 | C4 | H12 | 109.3° | 109.5° |
| O3 | C4 | H13 | 109.3° | 109.5° |
| C4 | C5 | O2 | 112.3° | 109.5° |
| C4 | C5 | C6 | 109.2° | 109.5° |
| C4 | C5 | H8 | 108.9° | 109.5° |
| C5 | C4 | H12 | 109.3° | 109.5° |
| C5 | C4 | H13 | 109.3° | 109.5° |
| O2 | C5 | C6 | 106.8° | 109.5° |
| C5 | O2 | C3 | 117.1° | 114.0° |
| O2 | C5 | H8 | 110.4° | 109.5° |
| C6 | C5 | H8 | 109.2° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| O2 | C3 | C2 | 110.2° | 109.5° |
| O2 | C3 | H6 | 109.3° | 109.4° |
| O2 | C3 | H7 | 109.3° | 109.5° |
| OH | C2 | C3 | 110.9° | 109.5° |
| OH | C2 | C1 | 108.5° | 109.5° |
| C2 | OH | H1 | 109.5° | 114.1° |
| OH | C2 | H2 | 108.6° | 109.4° |
| C3 | C2 | C1 | 113.9° | 109.5° |
| C3 | C2 | H2 | 107.3° | 109.5° |
| C2 | C3 | H6 | 109.3° | 109.5° |
| C2 | C3 | H7 | 109.3° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.4° | 109.4° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C4 | H13 | 109.4° | 109.4° |
| H15 | C9 | H16 | 109.4° | 109.5° |
| H15 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H21 | C12 | H23 | 109.4° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H24 | C10 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | O5 | 57.2° | 55.0° |
| C12 | C11 | C10 | O4 | 125.7° | 120.0° |
| C12 | C11 | C10 | H20 | 114.5° | 120.0° |
| C12 | C11 | O4 | H20 | 116.5° | 119.9° |
| C12 | C11 | O4 | C8 | 174.9° | 90.0° |
| C11 | C12 | H21 | H22 | 120.0° | 120.0° |
| C11 | C12 | H21 | H23 | 120.0° | 120.0° |
| C11 | C12 | H22 | H23 | 120.0° | 120.0° |
| C12 | C11 | C10 | H24 | 63.3° | 65.0° |
| C12 | C11 | C10 | H25 | 177.8° | 175.0° |
| O5 | C10 | C11 | H24 | 120.5° | 120.0° |
| O5 | C10 | C11 | H25 | 120.6° | 120.0° |
| O5 | C10 | C11 | O4 | 177.1° | 65.0° |
| O5 | C10 | C11 | H20 | 57.2° | 175.1° |
| O5 | C10 | H24 | H25 | 118.3° | 120.0° |
| C10 | C11 | O4 | H20 | 119.4° | 120.0° |
| C10 | C11 | O4 | C8 | 61.0° | 150.0° |
| C10 | C11 | C12 | H21 | 180.0° | 60.0° |
| C10 | C11 | C12 | H22 | 60.0° | 180.0° |
| C10 | C11 | C12 | H23 | 60.0° | 60.0° |
| C11 | C10 | H24 | H25 | 118.3° | 120.0° |
| C11 | C10 | O5 | H26 | 180.0° | 180.0° |
| C11 | O4 | C8 | C7 | 75.1° | 180.0° |
| C11 | O4 | C8 | H18 | 163.6° | 60.1° |
| C11 | O4 | C8 | H19 | 46.3° | 59.9° |
| O4 | C11 | C12 | H21 | 51.4° | 60.0° |
| O4 | C11 | C12 | H22 | 171.4° | 60.0° |
| O4 | C11 | C12 | H23 | 68.6° | 180.0° |
| O4 | C11 | C10 | H24 | 62.4° | 175.0° |
| O4 | C11 | C10 | H25 | 56.5° | 55.0° |
| O4 | C8 | C7 | H18 | 121.3° | 119.9° |
| O4 | C8 | C7 | H19 | 121.3° | 120.1° |
| O4 | C8 | C7 | C9 | 40.8° | 55.0° |
| O4 | C8 | C7 | O3 | 169.9° | 65.1° |
| O4 | C8 | C7 | H14 | 73.8° | 175.0° |
| O4 | C8 | H18 | H19 | 115.7° | 120.0° |
| C8 | O4 | C11 | H20 | 58.4° | 29.9° |
| C8 | C7 | C9 | O3 | 128.9° | 120.0° |
| C8 | C7 | C9 | H14 | 114.5° | 120.0° |
| C8 | C7 | O3 | H14 | 115.7° | 119.9° |
| C8 | C7 | O3 | C4 | 126.3° | 150.0° |
| C8 | C7 | C9 | H15 | 180.0° | 180.0° |
| C8 | C7 | C9 | H16 | 60.0° | 60.0° |
| C8 | C7 | C9 | H17 | 60.0° | 60.0° |
| C7 | C8 | H18 | H19 | 115.7° | 120.0° |
| C9 | C7 | O3 | H14 | 116.1° | 120.1° |
| C9 | C7 | O3 | C4 | 2.0° | 90.0° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| C7 | C9 | H15 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H17 | 120.0° | 119.9° |
| C9 | C7 | C8 | H18 | 80.5° | 65.0° |
| C9 | C7 | C8 | H19 | 162.2° | 175.0° |
| C7 | O3 | C4 | C5 | 164.7° | 180.0° |
| C7 | O3 | C4 | H12 | 44.6° | 60.0° |
| C7 | O3 | C4 | H13 | 75.2° | 60.0° |
| O3 | C7 | C9 | H15 | 51.1° | 60.1° |
| O3 | C7 | C9 | H16 | 171.1° | 179.9° |
| O3 | C7 | C9 | H17 | 68.9° | 60.0° |
| O3 | C7 | C8 | H18 | 48.6° | 175.0° |
| O3 | C7 | C8 | H19 | 68.7° | 55.0° |
| O3 | C4 | C5 | H12 | 120.1° | 120.0° |
| O3 | C4 | C5 | H13 | 120.1° | 120.0° |
| O3 | C4 | C5 | O2 | 86.6° | 65.0° |
| O3 | C4 | C5 | C6 | 155.1° | 55.0° |
| O3 | C4 | C5 | H8 | 36.0° | 175.0° |
| O3 | C4 | H12 | H13 | 119.7° | 120.0° |
| C4 | O3 | C7 | H14 | 118.0° | 30.0° |
| C4 | C5 | O2 | C6 | 119.6° | 120.0° |
| C4 | C5 | O2 | H8 | 121.8° | 120.0° |
| C4 | C5 | C6 | H8 | 118.9° | 120.0° |
| C4 | C5 | O2 | C3 | 158.4° | 150.0° |
| C4 | C5 | C6 | H9 | 180.0° | 60.0° |
| C4 | C5 | C6 | H10 | 60.0° | 180.0° |
| C4 | C5 | C6 | H11 | 60.0° | 60.0° |
| C5 | C4 | H12 | H13 | 119.7° | 120.0° |
| O2 | C5 | C6 | H8 | 119.4° | 120.0° |
| C5 | O2 | C3 | C2 | 157.3° | 180.0° |
| C5 | O2 | C3 | H6 | 37.2° | 60.0° |
| C5 | O2 | C3 | H7 | 82.5° | 59.9° |
| O2 | C5 | C6 | H9 | 58.3° | 180.0° |
| O2 | C5 | C6 | H10 | 61.6° | 60.0° |
| O2 | C5 | C6 | H11 | 178.3° | 60.0° |
| O2 | C5 | C4 | H12 | 33.5° | 55.0° |
| O2 | C5 | C4 | H13 | 153.3° | 175.0° |
| C6 | C5 | O2 | C3 | 81.9° | 90.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.0° |
| C5 | C6 | H9 | H11 | 120.0° | 120.1° |
| C5 | C6 | H10 | H11 | 120.0° | 120.1° |
| C6 | C5 | C4 | H12 | 84.7° | 175.0° |
| C6 | C5 | C4 | H13 | 35.0° | 65.0° |
| O2 | C3 | C2 | OH | 46.7° | 65.0° |
| O2 | C3 | C2 | H6 | 120.1° | 120.0° |
| O2 | C3 | C2 | H7 | 120.1° | 120.0° |
| O2 | C3 | C2 | C1 | 169.4° | 55.0° |
| O2 | C3 | C2 | H2 | 71.8° | 175.0° |
| O2 | C3 | H6 | H7 | 119.6° | 119.9° |
| C3 | O2 | C5 | H8 | 36.7° | 30.0° |
| OH | C2 | C3 | C1 | 122.8° | 120.1° |
| OH | C2 | C3 | H2 | 118.5° | 120.0° |
| OH | C2 | C1 | H2 | 117.2° | 119.9° |
| OH | C2 | C1 | H3 | 180.0° | 60.0° |
| OH | C2 | C1 | H4 | 60.0° | 59.9° |
| OH | C2 | C1 | H5 | 60.0° | 180.0° |
| OH | C2 | C3 | H6 | 166.8° | 175.0° |
| OH | C2 | C3 | H7 | 73.4° | 55.0° |
| C3 | C2 | C1 | H2 | 118.7° | 120.0° |
| C3 | C2 | OH | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H3 | 55.9° | 60.0° |
| C3 | C2 | C1 | H4 | 64.1° | 179.9° |
| C3 | C2 | C1 | H5 | 176.0° | 60.0° |
| C2 | C3 | H6 | H7 | 119.7° | 120.0° |
| C1 | C2 | OH | H1 | 54.2° | 60.0° |
| C2 | C1 | H3 | H4 | 120.0° | 119.9° |
| C2 | C1 | H3 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.1° |
| C1 | C2 | C3 | H6 | 70.5° | 65.0° |
| C1 | C2 | C3 | H7 | 49.3° | 175.0° |
| H1 | OH | C2 | H2 | 62.3° | 59.9° |
| H2 | C2 | C1 | H3 | 62.8° | 179.9° |
| H2 | C2 | C1 | H4 | 177.2° | 60.0° |
| H2 | C2 | C1 | H5 | 57.3° | 60.0° |
| H2 | C2 | C3 | H6 | 48.3° | 55.0° |
| H2 | C2 | C3 | H7 | 168.1° | 65.0° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
| H8 | C5 | C6 | H9 | 61.1° | 60.0° |
| H8 | C5 | C6 | H10 | 179.0° | 60.0° |
| H8 | C5 | C6 | H11 | 58.9° | 180.0° |
| H8 | C5 | C4 | H12 | 156.1° | 65.0° |
| H8 | C5 | C4 | H13 | 84.1° | 55.0° |
| H9 | C6 | H10 | H11 | 120.0° | 119.9° |
| H14 | C7 | C9 | H15 | 65.5° | 60.0° |
| H14 | C7 | C9 | H16 | 54.5° | 60.0° |
| H14 | C7 | C9 | H17 | 174.5° | 179.9° |
| H14 | C7 | C8 | H18 | 164.9° | 55.0° |
| H14 | C7 | C8 | H19 | 47.5° | 65.0° |
| H15 | C9 | H16 | H17 | 120.0° | 120.1° |
| H20 | C11 | C12 | H21 | 65.6° | 179.9° |
| H20 | C11 | C12 | H22 | 54.4° | 59.9° |
| H20 | C11 | C12 | H23 | 174.4° | 60.1° |
| H20 | C11 | C10 | H24 | 177.7° | 55.0° |
| H20 | C11 | C10 | H25 | 63.4° | 65.0° |
| H21 | C12 | H22 | H23 | 120.0° | 120.0° |
| H24 | C10 | O5 | H26 | 59.5° | 59.9° |
| H25 | C10 | O5 | H26 | 59.4° | 60.1° |
