G9J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| I19 | C16 | sing | 2.10Å | 2.09Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C4 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| O5 | C6 | sing | 1.36Å | 1.36Å | |
| C20 | C3 | sing | 1.47Å | 1.48Å | |
| C20 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.37Å | |
| C6 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.47Å | 1.49Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | O26 | sing | 1.36Å | 1.36Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | O12 | sing | 1.36Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| O12 | H8 | sing | 0.97Å | 0.95Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| O26 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I19 | C16 | C15 | 119.8° | 120.0° |
| I19 | C16 | C17 | 119.2° | 120.0° |
| C15 | C16 | C17 | 121.0° | 120.0° |
| C16 | C15 | C14 | 119.7° | 120.0° |
| C16 | C15 | H10 | 120.1° | 120.0° |
| C16 | C17 | C18 | 119.2° | 120.0° |
| C16 | C17 | H11 | 120.4° | 120.0° |
| C15 | C14 | C13 | 119.8° | 120.0° |
| C15 | C14 | H9 | 120.1° | 120.0° |
| C14 | C15 | H10 | 120.2° | 120.0° |
| C17 | C18 | C13 | 120.3° | 120.0° |
| C18 | C17 | H11 | 120.4° | 120.0° |
| C17 | C18 | H12 | 119.8° | 120.0° |
| C14 | C13 | C18 | 120.0° | 120.0° |
| C14 | C13 | C4 | 118.4° | 120.0° |
| C13 | C14 | H9 | 120.1° | 120.0° |
| C18 | C13 | C4 | 121.6° | 120.0° |
| C13 | C18 | H12 | 119.9° | 120.0° |
| C13 | C4 | O5 | 108.2° | 109.2° |
| C13 | C4 | C3 | 112.8° | 109.2° |
| C13 | C4 | H4 | 107.7° | 109.2° |
| C21 | C22 | C23 | 120.0° | 120.2° |
| C22 | C21 | C20 | 120.1° | 119.9° |
| C22 | C21 | H13 | 120.0° | 120.1° |
| C21 | C22 | H14 | 120.0° | 119.9° |
| C22 | C23 | C24 | 120.2° | 120.2° |
| C23 | C22 | H14 | 120.0° | 119.8° |
| C22 | C23 | H15 | 119.9° | 119.9° |
| C21 | C20 | C3 | 122.8° | 120.1° |
| C21 | C20 | C25 | 119.5° | 119.7° |
| C20 | C21 | H13 | 120.0° | 120.0° |
| O5 | C4 | C3 | 111.7° | 110.8° |
| C4 | O5 | C6 | 120.8° | 117.6° |
| O5 | C4 | H4 | 108.7° | 109.2° |
| C4 | C3 | C20 | 115.9° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C3 | C4 | H4 | 107.6° | 109.2° |
| C23 | C24 | C25 | 120.2° | 120.1° |
| C23 | C24 | O26 | 121.2° | 120.0° |
| C24 | C23 | H15 | 119.9° | 119.9° |
| O5 | C6 | C11 | 119.3° | 121.1° |
| O5 | C6 | C7 | 119.7° | 119.1° |
| C3 | C20 | C25 | 117.6° | 120.1° |
| C20 | C3 | C2 | 123.4° | 120.0° |
| C20 | C25 | C24 | 120.0° | 119.8° |
| C20 | C25 | H16 | 120.0° | 120.1° |
| C3 | C2 | C7 | 118.3° | 118.1° |
| C3 | C2 | C1 | 122.4° | 120.9° |
| C11 | C6 | C7 | 120.9° | 119.8° |
| C6 | C11 | C10 | 119.5° | 119.9° |
| C6 | C11 | H7 | 120.2° | 120.0° |
| C6 | C7 | C2 | 118.2° | 118.6° |
| C6 | C7 | C8 | 118.7° | 120.0° |
| C11 | C10 | C9 | 120.4° | 120.5° |
| C11 | C10 | H6 | 119.8° | 119.8° |
| C10 | C11 | H7 | 120.3° | 120.0° |
| C7 | C2 | C1 | 119.3° | 121.0° |
| C2 | C7 | C8 | 123.1° | 121.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C7 | C8 | C9 | 119.7° | 119.5° |
| C7 | C8 | H5 | 120.2° | 120.2° |
| C10 | C9 | C8 | 120.7° | 120.2° |
| C10 | C9 | O12 | 119.5° | 119.9° |
| C9 | C10 | H6 | 119.8° | 119.8° |
| C25 | C24 | O26 | 118.6° | 120.0° |
| C24 | C25 | H16 | 120.0° | 120.1° |
| C24 | O26 | H17 | 109.5° | 114.1° |
| C8 | C9 | O12 | 119.8° | 119.9° |
| C9 | C8 | H5 | 120.1° | 120.3° |
| C9 | O12 | H8 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I19 | C16 | C15 | C17 | 179.9° | 180.0° |
| I19 | C16 | C15 | C14 | 179.8° | 180.0° |
| I19 | C16 | C17 | C18 | 179.9° | 179.7° |
| I19 | C16 | C15 | H10 | 0.3° | 0.0° |
| I19 | C16 | C17 | H11 | 0.1° | 0.0° |
| C16 | C15 | C14 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.3° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | H9 | 179.6° | 180.0° |
| C15 | C16 | C17 | H11 | 179.8° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C16 | C17 | C18 | H11 | 180.0° | 179.7° |
| C16 | C17 | C18 | C13 | 0.2° | 0.6° |
| C17 | C16 | C15 | H10 | 179.7° | 180.0° |
| C16 | C17 | C18 | H12 | 179.8° | 180.0° |
| C15 | C14 | C13 | H9 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.4° | 0.3° |
| C15 | C14 | C13 | C4 | 179.7° | 180.0° |
| C17 | C18 | C13 | C14 | 0.2° | 0.6° |
| C17 | C18 | C13 | H12 | 180.0° | 179.4° |
| C17 | C18 | C13 | C4 | 179.6° | 179.7° |
| C14 | C13 | C18 | C4 | 179.3° | 179.7° |
| C14 | C13 | C4 | O5 | 91.3° | 140.0° |
| C14 | C13 | C4 | C3 | 144.7° | 98.7° |
| C14 | C13 | C4 | H4 | 26.1° | 20.6° |
| C13 | C14 | C15 | H10 | 179.6° | 180.0° |
| C14 | C13 | C18 | H12 | 179.7° | 180.0° |
| C18 | C13 | C4 | O5 | 88.1° | 39.7° |
| C18 | C13 | C4 | C3 | 36.0° | 81.5° |
| C18 | C13 | C4 | H4 | 154.6° | 159.1° |
| C18 | C13 | C14 | H9 | 179.6° | 179.8° |
| C13 | C18 | C17 | H11 | 179.8° | 179.7° |
| C13 | C4 | O5 | C3 | 124.7° | 120.3° |
| C13 | C4 | O5 | H4 | 116.7° | 119.3° |
| C13 | C4 | C3 | H4 | 118.6° | 119.3° |
| C13 | C4 | O5 | C6 | 86.0° | 73.5° |
| C13 | C4 | C3 | C20 | 84.0° | 90.3° |
| C13 | C4 | C3 | C2 | 97.9° | 89.7° |
| C4 | C13 | C14 | H9 | 0.3° | 0.0° |
| C4 | C13 | C18 | H12 | 0.4° | 0.3° |
| C21 | C22 | C23 | H14 | 180.0° | 180.0° |
| C22 | C21 | C20 | H13 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C20 | C3 | 179.3° | 180.0° |
| C22 | C21 | C20 | C25 | 0.9° | 0.2° |
| C21 | C22 | C23 | H15 | 179.7° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C23 | C24 | H15 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.3° |
| C22 | C23 | C24 | O26 | 180.0° | 180.0° |
| C23 | C22 | C21 | H13 | 179.9° | 180.0° |
| C21 | C20 | C3 | C4 | 73.9° | 65.3° |
| C21 | C20 | C3 | C25 | 178.5° | 179.8° |
| C21 | C20 | C3 | C2 | 108.0° | 114.7° |
| C21 | C20 | C25 | C24 | 1.2° | 0.5° |
| C20 | C21 | C22 | H14 | 179.9° | 180.0° |
| C21 | C20 | C25 | H16 | 178.7° | 179.7° |
| O5 | C4 | C3 | H4 | 119.2° | 120.3° |
| O5 | C4 | C3 | C20 | 153.9° | 149.4° |
| O5 | C4 | C3 | C2 | 24.3° | 30.7° |
| C4 | O5 | C6 | C11 | 152.5° | 146.8° |
| C4 | O5 | C6 | C7 | 27.4° | 33.5° |
| C3 | C4 | O5 | C6 | 38.8° | 46.8° |
| C4 | C3 | C20 | C2 | 178.1° | 180.0° |
| C4 | C3 | C20 | C25 | 104.6° | 115.0° |
| C4 | C3 | C2 | C7 | 0.3° | 1.6° |
| C4 | C3 | C2 | C1 | 179.5° | 178.7° |
| C23 | C24 | C25 | C20 | 0.8° | 0.5° |
| C23 | C24 | C25 | O26 | 180.0° | 179.7° |
| C24 | C23 | C22 | H14 | 179.7° | 180.0° |
| C23 | C24 | C25 | H16 | 179.1° | 179.7° |
| C23 | C24 | O26 | H17 | 180.0° | 90.0° |
| O5 | C6 | C11 | C7 | 179.8° | 179.8° |
| O5 | C6 | C11 | C10 | 179.7° | 179.1° |
| O5 | C6 | C7 | C2 | 0.6° | 1.3° |
| O5 | C6 | C7 | C8 | 179.5° | 178.6° |
| C6 | O5 | C4 | H4 | 157.4° | 167.2° |
| O5 | C6 | C11 | H7 | 0.3° | 0.9° |
| C20 | C3 | C2 | C7 | 178.3° | 178.4° |
| C20 | C3 | C2 | C1 | 1.5° | 1.3° |
| C3 | C20 | C25 | C24 | 179.8° | 179.7° |
| C20 | C3 | C4 | H4 | 34.7° | 29.0° |
| C3 | C20 | C21 | H13 | 0.7° | 0.0° |
| C3 | C20 | C25 | H16 | 0.2° | 0.0° |
| C25 | C20 | C3 | C2 | 73.5° | 65.0° |
| C20 | C25 | C24 | H16 | 180.0° | 179.7° |
| C20 | C25 | C24 | O26 | 179.2° | 179.8° |
| C25 | C20 | C21 | H13 | 179.1° | 179.8° |
| C3 | C2 | C7 | C6 | 13.8° | 14.3° |
| C3 | C2 | C7 | C1 | 179.8° | 179.7° |
| C3 | C2 | C7 | C8 | 167.3° | 165.8° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | H2 | 60.0° | 59.7° |
| C3 | C2 | C1 | H3 | 60.0° | 60.3° |
| C2 | C3 | C4 | H4 | 143.5° | 151.0° |
| C6 | C11 | C10 | H7 | 180.0° | 180.0° |
| C11 | C6 | C7 | C2 | 179.5° | 178.9° |
| C11 | C6 | C7 | C8 | 0.6° | 1.2° |
| C6 | C11 | C10 | C9 | 0.2° | 0.3° |
| C6 | C11 | C10 | H6 | 179.8° | 180.0° |
| C7 | C6 | C11 | C10 | 0.5° | 0.6° |
| C6 | C7 | C2 | C8 | 178.8° | 179.9° |
| C6 | C7 | C2 | C1 | 166.0° | 165.4° |
| C6 | C7 | C8 | C9 | 0.5° | 0.9° |
| C6 | C7 | C8 | H5 | 179.5° | 179.2° |
| C7 | C6 | C11 | H7 | 179.6° | 179.3° |
| C11 | C10 | C9 | H6 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 0.1° | 0.6° |
| C11 | C10 | C9 | O12 | 180.0° | 179.4° |
| C2 | C7 | C8 | C9 | 179.4° | 179.3° |
| C7 | C2 | C1 | H1 | 0.2° | 0.0° |
| C7 | C2 | C1 | H2 | 119.8° | 120.0° |
| C7 | C2 | C1 | H3 | 120.2° | 120.0° |
| C2 | C7 | C8 | H5 | 0.6° | 0.7° |
| C1 | C2 | C7 | C8 | 12.9° | 14.5° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | O12 | 179.8° | 180.0° |
| C10 | C9 | C8 | O12 | 179.8° | 180.0° |
| C10 | C9 | C8 | H5 | 179.7° | 179.9° |
| C9 | C10 | C11 | H7 | 179.8° | 179.8° |
| C10 | C9 | O12 | H8 | 180.0° | 90.0° |
| C25 | C24 | C23 | H15 | 179.9° | 179.7° |
| C25 | C24 | O26 | H17 | 0.0° | 89.7° |
| O26 | C24 | C23 | H15 | 0.1° | 0.1° |
| O26 | C24 | C25 | H16 | 0.8° | 0.0° |
| C8 | C9 | C10 | H6 | 179.9° | 179.7° |
| C8 | C9 | O12 | H8 | 0.2° | 90.0° |
| O12 | C9 | C8 | H5 | 0.2° | 0.1° |
| O12 | C9 | C10 | H6 | 0.0° | 0.4° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C10 | C11 | H7 | 0.2° | 0.0° |
| H9 | C14 | C15 | H10 | 0.4° | 0.0° |
| H11 | C17 | C18 | H12 | 0.2° | 0.3° |
| H13 | C21 | C22 | H14 | 0.1° | 0.0° |
| H14 | C22 | C23 | H15 | 0.3° | 0.0° |
