J24
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O3 | sing | 1.45Å | 1.46Å | |
| O3 | C2 | sing | 1.35Å | 1.36Å | |
| C2 | O1 | doub | 1.22Å | 1.21Å | |
| C2 | C6 | sing | 1.47Å | 1.48Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C8 | sing | 1.51Å | 1.52Å | |
| C22 | N23 | sing | 1.47Å | 1.49Å | |
| C21 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.50Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.49Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | N23 | sing | 1.47Å | 1.47Å | |
| C15 | O14 | sing | 1.34Å | 1.34Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | O26 | sing | 1.43Å | 1.43Å | |
| N23 | C24 | sing | 1.47Å | 1.48Å | |
| O14 | C13 | sing | 1.35Å | 1.34Å | Aromatic |
| C9 | O10 | sing | 1.36Å | 1.36Å | |
| C9 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| O26 | C25 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O10 | H6 | sing | 0.97Å | 0.95Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | O3 | 108.9° | 109.5° |
| C5 | C4 | H1 | 109.6° | 109.5° |
| C5 | C4 | H2 | 109.6° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | O3 | C2 | 117.1° | 117.0° |
| O3 | C4 | H1 | 109.6° | 109.5° |
| O3 | C4 | H2 | 109.6° | 109.4° |
| O3 | C2 | O1 | 118.1° | 120.0° |
| O3 | C2 | C6 | 119.3° | 120.0° |
| O1 | C2 | C6 | 122.2° | 120.0° |
| C2 | C6 | C15 | 124.9° | 127.3° |
| C2 | C6 | C7 | 129.6° | 127.2° |
| C19 | C20 | C21 | 121.4° | 120.2° |
| C20 | C19 | C18 | 119.2° | 120.3° |
| C20 | C19 | H11 | 120.4° | 119.8° |
| C19 | C20 | H12 | 119.3° | 120.0° |
| C20 | C21 | C16 | 120.1° | 119.8° |
| C21 | C20 | H12 | 119.3° | 119.9° |
| C20 | C21 | H13 | 120.0° | 120.1° |
| C19 | C18 | C17 | 119.6° | 120.2° |
| C19 | C18 | H10 | 120.2° | 119.9° |
| C18 | C19 | H11 | 120.4° | 119.8° |
| C8 | C22 | N23 | 108.9° | 109.5° |
| C22 | C8 | C7 | 122.8° | 120.2° |
| C22 | C8 | C9 | 118.1° | 120.2° |
| C8 | C22 | H14 | 109.6° | 109.5° |
| C8 | C22 | H15 | 109.6° | 109.5° |
| C22 | N23 | C28 | 116.9° | 111.0° |
| C22 | N23 | C24 | 116.5° | 111.0° |
| N23 | C22 | H14 | 109.6° | 109.5° |
| N23 | C22 | H15 | 109.6° | 109.5° |
| C21 | C16 | C17 | 117.9° | 119.7° |
| C21 | C16 | C15 | 120.4° | 120.2° |
| C16 | C21 | H13 | 119.9° | 120.0° |
| C15 | C6 | C7 | 105.5° | 105.5° |
| C6 | C15 | C16 | 128.4° | 125.3° |
| C6 | C15 | O14 | 108.8° | 109.3° |
| C6 | C7 | C8 | 137.3° | 134.0° |
| C6 | C7 | C13 | 104.5° | 105.7° |
| C18 | C17 | C16 | 121.6° | 119.8° |
| C18 | C17 | H9 | 119.2° | 120.1° |
| C17 | C18 | H10 | 120.2° | 119.9° |
| C17 | C16 | C15 | 121.7° | 120.1° |
| C16 | C17 | H9 | 119.2° | 120.1° |
| C16 | C15 | O14 | 122.8° | 125.4° |
| C27 | C28 | N23 | 111.2° | 109.3° |
| C28 | C27 | O26 | 109.8° | 109.2° |
| C28 | C27 | H21 | 109.4° | 109.5° |
| C28 | C27 | H22 | 109.4° | 109.5° |
| C27 | C28 | H23 | 109.0° | 109.5° |
| C27 | C28 | H24 | 109.0° | 109.5° |
| C28 | N23 | C24 | 114.0° | 110.8° |
| N23 | C28 | H23 | 109.0° | 109.5° |
| N23 | C28 | H24 | 109.0° | 109.5° |
| C15 | O14 | C13 | 112.6° | 111.5° |
| C7 | C8 | C9 | 119.1° | 119.6° |
| C8 | C7 | C13 | 118.2° | 120.4° |
| C8 | C9 | O10 | 120.6° | 120.0° |
| C8 | C9 | C11 | 121.5° | 120.1° |
| C7 | C13 | O14 | 108.6° | 108.1° |
| C7 | C13 | C12 | 120.9° | 119.3° |
| C27 | O26 | C25 | 115.7° | 113.7° |
| O26 | C27 | H21 | 109.4° | 109.5° |
| O26 | C27 | H22 | 109.4° | 109.5° |
| N23 | C24 | C25 | 113.1° | 109.2° |
| N23 | C24 | H17 | 108.6° | 109.5° |
| N23 | C24 | H18 | 108.6° | 109.5° |
| O14 | C13 | C12 | 130.5° | 132.6° |
| O10 | C9 | C11 | 117.9° | 119.9° |
| C9 | O10 | H6 | 109.5° | 114.0° |
| C9 | C11 | C12 | 119.9° | 120.6° |
| C9 | C11 | H7 | 120.1° | 119.7° |
| C13 | C12 | C11 | 120.3° | 120.1° |
| C13 | C12 | H8 | 119.8° | 119.9° |
| C12 | C11 | H7 | 120.0° | 119.6° |
| C11 | C12 | H8 | 119.8° | 120.0° |
| C24 | C25 | O26 | 113.4° | 109.2° |
| C25 | C24 | H17 | 108.6° | 109.5° |
| C25 | C24 | H18 | 108.6° | 109.5° |
| C24 | C25 | H19 | 108.5° | 109.5° |
| C24 | C25 | H20 | 108.5° | 109.6° |
| O26 | C25 | H19 | 108.5° | 109.4° |
| O26 | C25 | H20 | 108.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H3 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.6° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.4° | 109.5° |
| H23 | C28 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | O3 | H1 | 119.9° | 120.0° |
| C5 | C4 | O3 | H2 | 119.9° | 120.0° |
| C5 | C4 | O3 | C2 | 163.8° | 180.0° |
| C5 | C4 | H1 | H2 | 120.3° | 120.0° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H5 | 120.0° | 120.0° |
| C4 | C5 | H4 | H5 | 120.0° | 120.1° |
| C4 | O3 | C2 | O1 | 1.6° | 0.0° |
| C4 | O3 | C2 | C6 | 171.3° | 179.8° |
| O3 | C4 | H1 | H2 | 120.2° | 120.0° |
| O3 | C4 | C5 | H3 | 180.0° | 179.9° |
| O3 | C4 | C5 | H4 | 60.0° | 60.0° |
| O3 | C4 | C5 | H5 | 60.0° | 60.0° |
| O3 | C2 | O1 | C6 | 172.7° | 179.7° |
| O3 | C2 | C6 | C15 | 37.9° | 90.2° |
| O3 | C2 | C6 | C7 | 140.9° | 90.0° |
| C2 | O3 | C4 | H1 | 43.9° | 60.0° |
| C2 | O3 | C4 | H2 | 76.3° | 60.0° |
| O1 | C2 | C6 | C15 | 149.5° | 90.0° |
| O1 | C2 | C6 | C7 | 31.7° | 89.7° |
| C2 | C6 | C15 | C7 | 179.0° | 179.8° |
| C2 | C6 | C15 | C16 | 1.7° | 0.0° |
| C2 | C6 | C15 | O14 | 179.2° | 179.8° |
| C2 | C6 | C7 | C8 | 1.0° | 0.0° |
| C2 | C6 | C7 | C13 | 179.3° | 180.0° |
| C19 | C20 | C21 | H12 | 180.0° | 179.7° |
| C20 | C19 | C18 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 0.8° | 0.5° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C20 | C19 | C18 | H10 | 179.5° | 180.0° |
| C19 | C20 | C21 | H13 | 179.2° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.2° |
| C20 | C21 | C16 | H13 | 180.0° | 179.5° |
| C20 | C21 | C16 | C17 | 1.7° | 0.6° |
| C20 | C21 | C16 | C15 | 179.4° | 179.7° |
| C21 | C20 | C19 | H11 | 179.8° | 179.7° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.6° | 0.0° |
| C19 | C18 | C17 | H9 | 178.4° | 180.0° |
| C18 | C19 | C20 | H12 | 179.8° | 180.0° |
| C8 | C22 | N23 | H14 | 119.9° | 120.1° |
| C8 | C22 | N23 | H15 | 119.9° | 120.0° |
| C22 | C8 | C7 | C6 | 0.6° | 0.0° |
| C8 | C22 | N23 | C28 | 155.5° | 66.4° |
| C22 | C8 | C7 | C9 | 179.2° | 180.0° |
| C22 | C8 | C7 | C13 | 179.0° | 180.0° |
| C8 | C22 | N23 | C24 | 64.7° | 170.0° |
| C22 | C8 | C9 | O10 | 0.5° | 0.0° |
| C22 | C8 | C9 | C11 | 178.8° | 180.0° |
| C8 | C22 | H14 | H15 | 120.3° | 119.9° |
| C22 | N23 | C28 | C27 | 119.5° | 177.6° |
| C22 | N23 | C28 | C24 | 140.8° | 123.7° |
| N23 | C22 | C8 | C7 | 85.8° | 90.0° |
| N23 | C22 | C8 | C9 | 93.4° | 90.0° |
| C22 | N23 | C24 | C25 | 173.2° | 177.6° |
| N23 | C22 | H14 | H15 | 120.3° | 120.0° |
| C22 | N23 | C24 | H17 | 52.6° | 62.5° |
| C22 | N23 | C24 | H18 | 66.3° | 57.7° |
| C22 | N23 | C28 | H23 | 0.7° | 57.7° |
| C22 | N23 | C28 | H24 | 120.3° | 62.5° |
| C21 | C16 | C15 | C6 | 144.3° | 0.3° |
| C21 | C16 | C17 | C18 | 2.1° | 0.3° |
| C21 | C16 | C17 | C15 | 177.6° | 179.7° |
| C21 | C16 | C15 | O14 | 36.7° | 179.9° |
| C21 | C16 | C17 | H9 | 177.9° | 179.7° |
| C16 | C21 | C20 | H12 | 179.2° | 179.7° |
| C6 | C15 | C16 | C17 | 38.1° | 180.0° |
| C6 | C15 | C16 | O14 | 179.0° | 179.8° |
| C15 | C6 | C7 | C8 | 180.0° | 179.8° |
| C15 | C6 | C7 | C13 | 0.3° | 0.3° |
| C6 | C15 | O14 | C13 | 0.0° | 0.5° |
| C7 | C6 | C15 | C16 | 179.3° | 179.7° |
| C7 | C6 | C15 | O14 | 0.2° | 0.4° |
| C6 | C7 | C8 | C13 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| C6 | C7 | C13 | O14 | 0.4° | 0.0° |
| C6 | C7 | C13 | C12 | 179.8° | 180.0° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 179.8° | 180.0° |
| C17 | C18 | C19 | H11 | 179.5° | 180.0° |
| C17 | C16 | C15 | O14 | 140.9° | 0.2° |
| C16 | C17 | C18 | H10 | 178.5° | 180.0° |
| C17 | C16 | C21 | H13 | 178.3° | 179.9° |
| C16 | C15 | O14 | C13 | 179.1° | 179.7° |
| C15 | C16 | C17 | H9 | 0.2° | 0.0° |
| C15 | C16 | C21 | H13 | 0.6° | 0.2° |
| C27 | C28 | N23 | H23 | 120.2° | 119.9° |
| C27 | C28 | N23 | H24 | 120.2° | 119.9° |
| C28 | C27 | O26 | H21 | 120.1° | 120.0° |
| C28 | C27 | O26 | H22 | 120.1° | 120.0° |
| C27 | C28 | N23 | C24 | 21.2° | 58.7° |
| C28 | C27 | O26 | C25 | 45.8° | 58.7° |
| C28 | C27 | H21 | H22 | 119.9° | 120.1° |
| C27 | C28 | H23 | H24 | 119.2° | 120.0° |
| N23 | C28 | C27 | O26 | 62.7° | 56.9° |
| C28 | N23 | C24 | C25 | 32.3° | 58.7° |
| C28 | N23 | C22 | H14 | 35.6° | 53.7° |
| C28 | N23 | C22 | H15 | 84.5° | 173.6° |
| C28 | N23 | C24 | H17 | 88.3° | 61.2° |
| C28 | N23 | C24 | H18 | 152.8° | 178.5° |
| N23 | C28 | C27 | H21 | 177.2° | 176.8° |
| N23 | C28 | C27 | H22 | 57.3° | 63.1° |
| N23 | C28 | H23 | H24 | 119.3° | 120.2° |
| C15 | O14 | C13 | C7 | 0.3° | 0.3° |
| C15 | O14 | C13 | C12 | 179.9° | 179.7° |
| C8 | C7 | C13 | O14 | 179.9° | 180.0° |
| C7 | C8 | C9 | O10 | 179.8° | 180.0° |
| C7 | C8 | C9 | C11 | 0.4° | 0.0° |
| C8 | C7 | C13 | C12 | 0.0° | 0.0° |
| C7 | C8 | C22 | H14 | 34.1° | 149.9° |
| C7 | C8 | C22 | H15 | 154.2° | 30.0° |
| C9 | C8 | C7 | C13 | 0.2° | 0.0° |
| C8 | C9 | O10 | C11 | 179.4° | 180.0° |
| C8 | C9 | C11 | C12 | 0.4° | 0.0° |
| C8 | C9 | O10 | H6 | 180.0° | 90.0° |
| C8 | C9 | C11 | H7 | 179.6° | 180.0° |
| C9 | C8 | C22 | H14 | 146.7° | 30.0° |
| C9 | C8 | C22 | H15 | 26.5° | 149.9° |
| C7 | C13 | O14 | C12 | 179.8° | 180.0° |
| C7 | C13 | C12 | C11 | 0.0° | 0.0° |
| C7 | C13 | C12 | H8 | 180.0° | 179.9° |
| C27 | O26 | C25 | C24 | 8.6° | 58.7° |
| C27 | O26 | C25 | H19 | 129.2° | 178.6° |
| C27 | O26 | C25 | H20 | 112.0° | 61.3° |
| O26 | C27 | H21 | H22 | 119.8° | 120.1° |
| O26 | C27 | C28 | H23 | 177.0° | 176.8° |
| O26 | C27 | C28 | H24 | 57.5° | 63.1° |
| N23 | C24 | C25 | H17 | 120.6° | 119.9° |
| N23 | C24 | C25 | H18 | 120.5° | 119.9° |
| N23 | C24 | C25 | O26 | 50.1° | 56.9° |
| C24 | N23 | C22 | H14 | 175.4° | 70.0° |
| C24 | N23 | C22 | H15 | 55.2° | 50.0° |
| N23 | C24 | H17 | H18 | 118.4° | 120.1° |
| N23 | C24 | C25 | H19 | 170.6° | 176.7° |
| N23 | C24 | C25 | H20 | 70.5° | 63.1° |
| C24 | N23 | C28 | H23 | 141.5° | 178.6° |
| C24 | N23 | C28 | H24 | 99.0° | 61.3° |
| O14 | C13 | C12 | C11 | 179.8° | 180.0° |
| O14 | C13 | C12 | H8 | 0.1° | 0.0° |
| O10 | C9 | C11 | C12 | 179.8° | 180.0° |
| O10 | C9 | C11 | H7 | 0.2° | 0.1° |
| C9 | C11 | C12 | C13 | 0.2° | 0.0° |
| C9 | C11 | C12 | H7 | 180.0° | 179.9° |
| C11 | C9 | O10 | H6 | 0.6° | 90.1° |
| C9 | C11 | C12 | H8 | 179.8° | 179.9° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | H7 | 179.8° | 180.0° |
| C24 | C25 | O26 | H19 | 120.6° | 119.9° |
| C24 | C25 | O26 | H20 | 120.6° | 120.0° |
| C25 | C24 | H17 | H18 | 118.4° | 120.1° |
| C24 | C25 | H19 | H20 | 118.2° | 120.2° |
| O26 | C25 | C24 | H17 | 70.5° | 63.0° |
| O26 | C25 | C24 | H18 | 170.6° | 176.7° |
| O26 | C25 | H19 | H20 | 118.2° | 120.1° |
| C25 | O26 | C27 | H21 | 165.8° | 178.7° |
| C25 | O26 | C27 | H22 | 74.3° | 61.3° |
| H1 | C4 | C5 | H3 | 60.1° | 60.1° |
| H1 | C4 | C5 | H4 | 60.0° | 180.0° |
| H1 | C4 | C5 | H5 | 179.9° | 60.0° |
| H2 | C4 | C5 | H3 | 60.1° | 60.0° |
| H2 | C4 | C5 | H4 | 179.9° | 59.9° |
| H2 | C4 | C5 | H5 | 59.9° | 180.0° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H7 | C11 | C12 | H8 | 0.2° | 0.0° |
| H9 | C17 | C18 | H10 | 1.5° | 0.0° |
| H10 | C18 | C19 | H11 | 0.5° | 0.0° |
| H11 | C19 | C20 | H12 | 0.2° | 0.0° |
| H12 | C20 | C21 | H13 | 0.8° | 0.2° |
| H17 | C24 | C25 | H19 | 50.1° | 56.8° |
| H17 | C24 | C25 | H20 | 168.9° | 177.0° |
| H18 | C24 | C25 | H19 | 68.8° | 63.4° |
| H18 | C24 | C25 | H20 | 50.0° | 56.8° |
| H21 | C27 | C28 | H23 | 57.0° | 63.2° |
| H21 | C27 | C28 | H24 | 62.5° | 56.9° |
| H22 | C27 | C28 | H23 | 62.9° | 56.8° |
| H22 | C27 | C28 | H24 | 177.6° | 176.9° |
