DFH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| O15 | C7 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.55Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| O15 | H9 | sing | 0.97Å | 0.95Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.7° | 120.0° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C2 | C1 | H1 | 118.6° | 120.0° |
| C1 | C2 | H2 | 119.4° | 120.0° |
| C1 | C6 | C7 | 122.5° | 120.0° |
| C1 | C6 | C5 | 114.3° | 120.0° |
| C6 | C1 | H1 | 118.7° | 120.0° |
| O15 | C7 | C14 | 105.5° | 109.5° |
| O15 | C7 | C6 | 108.5° | 109.4° |
| O15 | C7 | C8 | 109.4° | 109.4° |
| C7 | O15 | H9 | 109.5° | 114.0° |
| C2 | C3 | C4 | 117.9° | 120.0° |
| C3 | C2 | H2 | 119.4° | 120.0° |
| C2 | C3 | H3 | 121.0° | 120.0° |
| C14 | C7 | C6 | 110.7° | 109.5° |
| C14 | C7 | C8 | 111.8° | 109.5° |
| C7 | C14 | H10 | 109.5° | 109.4° |
| C7 | C14 | H11 | 109.5° | 109.5° |
| C7 | C14 | H12 | 109.4° | 109.5° |
| C6 | C7 | C8 | 110.5° | 109.5° |
| C7 | C6 | C5 | 123.1° | 120.1° |
| C7 | C8 | C9 | 121.2° | 120.0° |
| C7 | C8 | C13 | 123.1° | 120.0° |
| C6 | C5 | C4 | 124.2° | 120.0° |
| C6 | C5 | H5 | 117.9° | 119.9° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C4 | C3 | H3 | 121.0° | 120.0° |
| C3 | C4 | H4 | 120.2° | 120.0° |
| C5 | C4 | H4 | 120.2° | 120.0° |
| C4 | C5 | H5 | 117.9° | 120.0° |
| C9 | C8 | C13 | 115.7° | 120.0° |
| C8 | C9 | C10 | 122.4° | 120.0° |
| C8 | C9 | H6 | 118.8° | 120.0° |
| C8 | C13 | C12 | 123.0° | 120.0° |
| C8 | C13 | H13 | 118.5° | 120.0° |
| C9 | C10 | C11 | 120.7° | 120.0° |
| C10 | C9 | H6 | 118.8° | 120.0° |
| C9 | C10 | H7 | 119.6° | 120.0° |
| C13 | C12 | C11 | 119.8° | 120.0° |
| C12 | C13 | H13 | 118.5° | 120.0° |
| C13 | C12 | H14 | 120.1° | 120.0° |
| C10 | C11 | C12 | 118.5° | 120.0° |
| C11 | C10 | H7 | 119.7° | 120.0° |
| C10 | C11 | H8 | 120.8° | 120.0° |
| C12 | C11 | H8 | 120.8° | 120.0° |
| C11 | C12 | H14 | 120.1° | 120.0° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | C7 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 1.4° | 0.1° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H3 | 178.9° | 180.0° |
| C1 | C6 | C7 | O15 | 54.2° | 168.8° |
| C6 | C1 | C2 | C3 | 1.4° | 0.0° |
| C1 | C6 | C7 | C14 | 61.2° | 48.8° |
| C1 | C6 | C7 | C5 | 178.6° | 179.9° |
| C1 | C6 | C7 | C8 | 174.3° | 71.3° |
| C1 | C6 | C5 | C4 | 1.1° | 0.1° |
| C6 | C1 | C2 | H2 | 178.6° | 180.0° |
| C1 | C6 | C5 | H5 | 178.9° | 180.0° |
| O15 | C7 | C14 | C6 | 117.3° | 120.0° |
| O15 | C7 | C14 | C8 | 118.9° | 120.0° |
| O15 | C7 | C6 | C8 | 120.0° | 120.0° |
| O15 | C7 | C6 | C5 | 127.1° | 11.2° |
| O15 | C7 | C8 | C9 | 52.1° | 170.1° |
| O15 | C7 | C8 | C13 | 129.9° | 10.1° |
| O15 | C7 | C14 | H10 | 180.0° | 180.0° |
| O15 | C7 | C14 | H11 | 60.0° | 60.0° |
| O15 | C7 | C14 | H12 | 60.0° | 60.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.1° |
| C3 | C2 | C1 | H1 | 178.6° | 179.7° |
| C2 | C3 | C4 | H4 | 179.1° | 180.0° |
| C14 | C7 | C6 | C8 | 124.5° | 120.1° |
| C14 | C7 | C6 | C5 | 117.5° | 131.2° |
| C14 | C7 | C8 | C9 | 168.7° | 50.2° |
| C14 | C7 | C8 | C13 | 13.3° | 130.1° |
| C14 | C7 | O15 | H9 | 180.0° | 180.0° |
| C7 | C14 | H10 | H11 | 120.0° | 120.0° |
| C7 | C14 | H10 | H12 | 120.0° | 120.0° |
| C7 | C14 | H11 | H12 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 179.9° | 179.9° |
| C6 | C7 | C8 | C9 | 67.5° | 69.9° |
| C6 | C7 | C8 | C13 | 110.6° | 109.8° |
| C7 | C6 | C1 | H1 | 0.1° | 0.3° |
| C7 | C6 | C5 | H5 | 0.1° | 0.0° |
| C6 | C7 | O15 | H9 | 61.2° | 60.0° |
| C6 | C7 | C14 | H10 | 62.7° | 60.0° |
| C6 | C7 | C14 | H11 | 177.3° | 180.0° |
| C6 | C7 | C14 | H12 | 57.3° | 60.0° |
| C8 | C7 | C6 | C5 | 7.1° | 108.8° |
| C7 | C8 | C9 | C13 | 178.2° | 179.7° |
| C7 | C8 | C9 | C10 | 178.0° | 180.0° |
| C7 | C8 | C13 | C12 | 178.3° | 179.8° |
| C7 | C8 | C9 | H6 | 2.0° | 0.0° |
| C8 | C7 | O15 | H9 | 59.5° | 60.0° |
| C8 | C7 | C14 | H10 | 61.1° | 60.1° |
| C8 | C7 | C14 | H11 | 58.9° | 60.0° |
| C8 | C7 | C14 | H12 | 179.0° | 180.0° |
| C7 | C8 | C13 | H13 | 1.6° | 0.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.1° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C5 | C6 | C1 | H1 | 178.6° | 179.7° |
| C6 | C5 | C4 | H4 | 179.1° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 178.9° | 180.0° |
| C3 | C4 | C5 | H5 | 179.1° | 180.0° |
| C5 | C4 | C3 | H3 | 179.1° | 180.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.9° |
| C9 | C8 | C13 | C12 | 0.2° | 0.5° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| C8 | C9 | C10 | H7 | 179.6° | 179.9° |
| C9 | C8 | C13 | H13 | 179.8° | 179.7° |
| C13 | C8 | C9 | C10 | 0.2° | 0.3° |
| C8 | C13 | C12 | H13 | 180.0° | 179.8° |
| C8 | C13 | C12 | C11 | 0.3° | 0.5° |
| C13 | C8 | C9 | H6 | 179.8° | 179.8° |
| C8 | C13 | C12 | H14 | 179.7° | 180.0° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C9 | C10 | C11 | H8 | 179.7° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C13 | C12 | C11 | H14 | 180.0° | 179.5° |
| C13 | C12 | C11 | H8 | 179.9° | 179.8° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | H6 | 179.6° | 180.0° |
| C10 | C11 | C12 | H14 | 179.9° | 179.7° |
| C12 | C11 | C10 | H7 | 179.7° | 180.0° |
| C11 | C12 | C13 | H13 | 179.6° | 179.7° |
| H1 | C1 | C2 | H2 | 1.4° | 0.3° |
| H2 | C2 | C3 | H3 | 1.1° | 0.0° |
| H3 | C3 | C4 | H4 | 0.9° | 0.0° |
| H4 | C4 | C5 | H5 | 0.9° | 0.0° |
| H6 | C9 | C10 | H7 | 0.4° | 0.0° |
| H7 | C10 | C11 | H8 | 0.2° | 0.0° |
| H8 | C11 | C12 | H14 | 0.1° | 0.3° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H13 | C13 | C12 | H14 | 0.4° | 0.3° |
