DB7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.41Å | 1.45Å | Aromatic |
| C2 | C8 | sing | 1.48Å | 1.59Å | |
| C1 | C7 | sing | 1.48Å | 1.60Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | O9 | sing | 1.45Å | 1.51Å | |
| C8 | O9 | sing | 1.35Å | 1.40Å | |
| C8 | O11 | doub | 1.21Å | 1.24Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C7 | O10 | sing | 1.35Å | 1.40Å | |
| C7 | O12 | doub | 1.21Å | 1.25Å | |
| O10 | C17 | sing | 1.45Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 119.7° | 120.4° |
| C4 | C5 | C6 | 119.7° | 120.4° |
| C5 | C4 | H2 | 120.2° | 119.7° |
| C4 | C5 | H3 | 120.1° | 119.8° |
| C4 | C3 | C2 | 122.4° | 120.0° |
| C4 | C3 | H1 | 118.8° | 120.0° |
| C3 | C4 | H2 | 120.2° | 119.8° |
| C5 | C6 | C1 | 122.0° | 120.0° |
| C6 | C5 | H3 | 120.2° | 119.8° |
| C5 | C6 | H4 | 119.0° | 120.0° |
| C3 | C2 | C1 | 117.8° | 119.6° |
| C3 | C2 | C8 | 116.5° | 120.2° |
| C2 | C3 | H1 | 118.8° | 120.0° |
| C6 | C1 | C2 | 118.5° | 119.6° |
| C6 | C1 | C7 | 116.1° | 120.2° |
| C1 | C6 | H4 | 119.0° | 120.0° |
| C16 | C15 | C14 | 112.2° | 109.5° |
| C16 | C15 | H9 | 108.8° | 109.5° |
| C16 | C15 | H10 | 108.8° | 109.5° |
| C15 | C16 | H11 | 109.5° | 109.5° |
| C15 | C16 | H12 | 109.5° | 109.5° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C14 | C13 | 112.6° | 109.5° |
| C15 | C14 | H7 | 108.7° | 109.5° |
| C15 | C14 | H8 | 108.7° | 109.5° |
| C14 | C15 | H9 | 108.8° | 109.5° |
| C14 | C15 | H10 | 108.8° | 109.4° |
| C1 | C2 | C8 | 125.7° | 120.2° |
| C2 | C1 | C7 | 125.4° | 120.2° |
| C2 | C8 | O9 | 122.6° | 120.0° |
| C2 | C8 | O11 | 120.9° | 120.0° |
| C1 | C7 | O10 | 120.1° | 120.0° |
| C1 | C7 | O12 | 120.7° | 120.0° |
| C14 | C13 | O9 | 117.2° | 109.5° |
| C14 | C13 | H5 | 107.5° | 109.5° |
| C14 | C13 | H6 | 107.5° | 109.5° |
| C13 | C14 | H7 | 108.7° | 109.4° |
| C13 | C14 | H8 | 108.7° | 109.5° |
| C13 | O9 | C8 | 122.0° | 117.0° |
| O9 | C13 | H5 | 107.5° | 109.5° |
| O9 | C13 | H6 | 107.5° | 109.5° |
| O9 | C8 | O11 | 116.5° | 120.0° |
| C20 | C19 | C18 | 111.7° | 109.5° |
| C20 | C19 | H18 | 108.9° | 109.5° |
| C20 | C19 | H19 | 108.9° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.4° |
| C19 | C20 | H21 | 109.5° | 109.5° |
| C19 | C20 | H22 | 109.5° | 109.5° |
| O10 | C7 | O12 | 119.0° | 120.0° |
| C7 | O10 | C17 | 122.1° | 117.0° |
| O10 | C17 | C18 | 119.1° | 109.5° |
| O10 | C17 | H14 | 107.0° | 109.5° |
| O10 | C17 | H15 | 107.0° | 109.5° |
| C19 | C18 | C17 | 111.8° | 109.5° |
| C19 | C18 | H16 | 108.9° | 109.5° |
| C19 | C18 | H17 | 108.9° | 109.5° |
| C18 | C19 | H18 | 108.9° | 109.5° |
| C18 | C19 | H19 | 108.9° | 109.5° |
| C18 | C17 | H14 | 107.0° | 109.4° |
| C18 | C17 | H15 | 107.0° | 109.5° |
| C17 | C18 | H16 | 108.9° | 109.4° |
| C17 | C18 | H17 | 108.9° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.4° |
| H11 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C4 | C5 | C6 | H3 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 1.3° | 0.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.5° |
| C5 | C4 | C3 | H1 | 178.7° | 180.0° |
| C4 | C5 | C6 | H4 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.2° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.2° | 0.0° |
| C4 | C3 | C2 | C8 | 179.4° | 179.9° |
| C3 | C4 | C5 | H3 | 179.2° | 180.0° |
| C5 | C6 | C1 | H4 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.3° | 0.5° |
| C5 | C6 | C1 | C7 | 178.3° | 179.8° |
| C6 | C5 | C4 | H2 | 179.2° | 180.0° |
| C3 | C2 | C1 | C6 | 0.6° | 0.3° |
| C3 | C2 | C1 | C8 | 179.3° | 180.0° |
| C3 | C2 | C1 | C7 | 178.5° | 180.0° |
| C3 | C2 | C8 | O9 | 64.1° | 55.1° |
| C3 | C2 | C8 | O11 | 113.4° | 125.0° |
| C2 | C3 | C4 | H2 | 178.7° | 179.7° |
| C6 | C1 | C2 | C7 | 177.9° | 179.7° |
| C6 | C1 | C2 | C8 | 180.0° | 179.8° |
| C6 | C1 | C7 | O10 | 33.3° | 6.1° |
| C6 | C1 | C7 | O12 | 140.7° | 173.8° |
| C1 | C6 | C5 | H3 | 179.7° | 179.7° |
| C16 | C15 | C14 | H9 | 120.4° | 120.0° |
| C16 | C15 | C14 | H10 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 161.4° | 180.0° |
| C16 | C15 | C14 | H7 | 78.1° | 60.0° |
| C16 | C15 | C14 | H8 | 40.9° | 60.0° |
| C16 | C15 | H9 | H10 | 118.8° | 120.1° |
| C15 | C16 | H11 | H12 | 120.0° | 120.0° |
| C15 | C16 | H11 | H13 | 120.0° | 120.0° |
| C15 | C16 | H12 | H13 | 120.0° | 120.0° |
| C15 | C14 | C13 | H7 | 120.5° | 120.0° |
| C15 | C14 | C13 | H8 | 120.5° | 120.0° |
| C15 | C14 | C13 | O9 | 179.3° | 180.0° |
| C15 | C14 | C13 | H5 | 59.6° | 60.0° |
| C15 | C14 | C13 | H6 | 58.1° | 60.0° |
| C15 | C14 | H7 | H8 | 118.5° | 120.0° |
| C14 | C15 | H9 | H10 | 118.7° | 120.0° |
| C14 | C15 | C16 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | H12 | 60.0° | 60.0° |
| C14 | C15 | C16 | H13 | 60.0° | 60.0° |
| C1 | C2 | C8 | O9 | 116.6° | 125.0° |
| C1 | C2 | C8 | O11 | 66.0° | 55.0° |
| C2 | C1 | C7 | O10 | 148.8° | 174.2° |
| C2 | C1 | C7 | O12 | 37.2° | 5.9° |
| C1 | C2 | C3 | H1 | 178.8° | 180.0° |
| C2 | C1 | C6 | H4 | 179.8° | 180.0° |
| C8 | C2 | C1 | C7 | 2.1° | 0.1° |
| C2 | C8 | O9 | C13 | 29.9° | 180.0° |
| C2 | C8 | O9 | O11 | 177.6° | 179.9° |
| C8 | C2 | C3 | H1 | 0.6° | 0.0° |
| C1 | C7 | O10 | O12 | 174.1° | 179.9° |
| C1 | C7 | O10 | C17 | 136.4° | 180.0° |
| C7 | C1 | C6 | H4 | 1.7° | 0.3° |
| C14 | C13 | O9 | H5 | 121.1° | 120.0° |
| C14 | C13 | O9 | H6 | 121.1° | 120.0° |
| C14 | C13 | O9 | C8 | 152.2° | 180.0° |
| C14 | C13 | H5 | H6 | 116.5° | 120.0° |
| C13 | C14 | H7 | H8 | 118.6° | 120.0° |
| C13 | C14 | C15 | H9 | 41.0° | 60.0° |
| C13 | C14 | C15 | H10 | 78.2° | 60.0° |
| C13 | O9 | C8 | O11 | 147.7° | 0.0° |
| O9 | C13 | H5 | H6 | 116.5° | 120.0° |
| O9 | C13 | C14 | H7 | 58.8° | 60.0° |
| O9 | C13 | C14 | H8 | 60.3° | 60.0° |
| C8 | O9 | C13 | H5 | 86.7° | 60.0° |
| C8 | O9 | C13 | H6 | 31.1° | 59.9° |
| C20 | C19 | C18 | H18 | 120.3° | 120.1° |
| C20 | C19 | C18 | H19 | 120.3° | 120.0° |
| C20 | C19 | C18 | C17 | 107.0° | NaN° |
| C20 | C19 | C18 | H16 | 132.6° | 60.0° |
| C20 | C19 | C18 | H17 | 13.3° | 60.0° |
| C20 | C19 | H18 | H19 | 119.0° | 120.0° |
| C19 | C20 | H20 | H21 | 120.0° | 120.0° |
| C19 | C20 | H20 | H22 | 120.0° | 120.0° |
| C19 | C20 | H21 | H22 | 120.0° | 120.0° |
| C7 | O10 | C17 | C18 | 53.1° | 180.0° |
| C7 | O10 | C17 | H14 | 68.3° | 60.0° |
| C7 | O10 | C17 | H15 | 174.4° | 60.0° |
| O12 | C7 | O10 | C17 | 37.8° | 0.0° |
| O10 | C17 | C18 | C19 | 118.7° | 180.0° |
| O10 | C17 | C18 | H14 | 121.3° | 120.0° |
| O10 | C17 | C18 | H15 | 121.4° | 120.0° |
| O10 | C17 | H14 | H15 | 115.7° | 120.0° |
| O10 | C17 | C18 | H16 | 120.9° | 60.0° |
| O10 | C17 | C18 | H17 | 1.6° | 60.0° |
| C19 | C18 | C17 | H16 | 120.3° | 120.0° |
| C19 | C18 | C17 | H17 | 120.3° | 120.0° |
| C19 | C18 | C17 | H14 | 119.9° | 60.0° |
| C19 | C18 | C17 | H15 | 2.6° | 60.0° |
| C19 | C18 | H16 | H17 | 118.9° | 120.0° |
| C18 | C19 | H18 | H19 | 119.0° | 120.0° |
| C18 | C19 | C20 | H20 | 180.0° | 60.0° |
| C18 | C19 | C20 | H21 | 60.0° | 60.0° |
| C18 | C19 | C20 | H22 | 60.0° | 180.0° |
| C18 | C17 | H14 | H15 | 115.6° | 120.0° |
| C17 | C18 | H16 | H17 | 119.0° | 120.0° |
| C17 | C18 | C19 | H18 | 13.3° | 59.9° |
| C17 | C18 | C19 | H19 | 132.6° | 60.0° |
| H1 | C3 | C4 | H2 | 1.3° | 0.2° |
| H2 | C4 | C5 | H3 | 0.8° | 0.2° |
| H3 | C5 | C6 | H4 | 0.3° | 0.2° |
| H5 | C13 | C14 | H7 | 179.9° | 60.0° |
| H5 | C13 | C14 | H8 | 60.8° | 180.0° |
| H6 | C13 | C14 | H7 | 62.3° | 179.9° |
| H6 | C13 | C14 | H8 | 178.6° | 60.0° |
| H7 | C14 | C15 | H9 | 161.5° | 180.0° |
| H7 | C14 | C15 | H10 | 42.3° | 60.0° |
| H8 | C14 | C15 | H9 | 79.5° | 60.0° |
| H8 | C14 | C15 | H10 | 161.3° | 179.9° |
| H9 | C15 | C16 | H11 | 59.6° | 60.0° |
| H9 | C15 | C16 | H12 | 60.4° | 180.0° |
| H9 | C15 | C16 | H13 | 179.6° | 60.0° |
| H10 | C15 | C16 | H11 | 59.6° | 60.0° |
| H10 | C15 | C16 | H12 | 179.6° | 60.0° |
| H10 | C15 | C16 | H13 | 60.4° | 180.0° |
| H11 | C16 | H12 | H13 | 120.0° | 120.0° |
| H14 | C17 | C18 | H16 | 0.4° | 180.0° |
| H14 | C17 | C18 | H17 | 119.7° | 60.0° |
| H15 | C17 | C18 | H16 | 117.7° | 60.0° |
| H15 | C17 | C18 | H17 | 123.0° | 180.0° |
| H16 | C18 | C19 | H18 | 107.0° | 179.9° |
| H16 | C18 | C19 | H19 | 12.3° | 60.0° |
| H17 | C18 | C19 | H18 | 133.7° | 60.1° |
| H17 | C18 | C19 | H19 | 107.0° | 180.0° |
| H18 | C19 | C20 | H20 | 59.6° | 179.9° |
| H18 | C19 | C20 | H21 | 60.3° | 60.1° |
| H18 | C19 | C20 | H22 | 179.7° | 60.0° |
| H19 | C19 | C20 | H20 | 59.7° | 60.0° |
| H19 | C19 | C20 | H21 | 179.7° | 180.0° |
| H19 | C19 | C20 | H22 | 60.3° | 60.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
