EBE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C15 | sing | 1.35Å | 1.35Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C14 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C20 | sing | 1.51Å | 1.51Å | |
| C13 | C3 | sing | 1.51Å | 1.49Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| N22 | C20 | sing | 1.35Å | 1.33Å | |
| N22 | O23 | sing | 1.42Å | 1.39Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.52Å | |
| C8 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | N9 | sing | 1.32Å | 1.35Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| N9 | C10 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | C24 | sing | 1.51Å | 1.51Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| N22 | H13 | sing | 0.97Å | 1.00Å | |
| O23 | H14 | sing | 0.97Å | 0.95Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C15 | C16 | 118.4° | 120.0° |
| F25 | C15 | C14 | 120.9° | 120.1° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C16 | C15 | C14 | 120.7° | 119.9° |
| C15 | C16 | H16 | 119.8° | 120.1° |
| C16 | C17 | C18 | 119.6° | 120.0° |
| C16 | C17 | H15 | 120.2° | 120.0° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| C15 | C14 | C13 | 117.4° | 120.0° |
| C15 | C14 | C19 | 118.2° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C17 | C18 | H9 | 119.9° | 120.0° |
| C18 | C17 | H15 | 120.2° | 120.0° |
| C13 | C14 | C19 | 124.3° | 120.0° |
| C14 | C13 | C20 | 109.4° | 109.5° |
| C14 | C13 | C3 | 113.6° | 109.4° |
| C14 | C13 | H8 | 107.8° | 109.4° |
| C14 | C19 | C18 | 120.7° | 120.0° |
| C14 | C19 | H6 | 119.6° | 120.0° |
| C20 | C13 | C3 | 110.3° | 109.5° |
| C13 | C20 | N22 | 117.5° | 120.0° |
| C13 | C20 | O21 | 121.0° | 120.0° |
| C20 | C13 | H8 | 107.6° | 109.5° |
| C13 | C3 | C4 | 119.6° | 119.8° |
| C13 | C3 | C2 | 122.5° | 119.8° |
| C3 | C13 | H8 | 107.9° | 109.5° |
| C18 | C19 | H6 | 119.6° | 120.0° |
| C19 | C18 | H9 | 119.9° | 120.0° |
| C20 | N22 | O23 | 120.2° | 120.0° |
| N22 | C20 | O21 | 121.6° | 120.0° |
| C20 | N22 | H13 | 119.9° | 120.0° |
| O23 | N22 | H13 | 119.9° | 120.0° |
| N22 | O23 | H14 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.9° | 120.1° |
| C4 | C3 | C2 | 117.9° | 120.3° |
| C3 | C4 | H1 | 119.5° | 120.0° |
| C4 | C5 | C6 | 122.1° | 119.9° |
| C5 | C4 | H1 | 119.5° | 119.9° |
| C4 | C5 | H2 | 119.0° | 120.1° |
| C3 | C2 | C1 | 121.1° | 120.1° |
| C3 | C2 | H4 | 119.4° | 120.0° |
| C5 | C6 | C1 | 116.3° | 119.7° |
| C5 | C6 | C7 | 121.7° | 120.1° |
| C6 | C5 | H2 | 119.0° | 120.0° |
| C2 | C1 | C6 | 121.7° | 119.9° |
| C1 | C2 | H4 | 119.4° | 120.0° |
| C2 | C1 | H5 | 119.2° | 120.1° |
| C1 | C6 | C7 | 121.9° | 120.2° |
| C6 | C1 | H5 | 119.2° | 120.0° |
| C6 | C7 | C8 | 122.2° | 121.0° |
| C6 | C7 | C12 | 122.2° | 120.9° |
| C7 | C8 | N9 | 121.2° | 119.0° |
| C8 | C7 | C12 | 115.6° | 118.2° |
| C7 | C8 | H3 | 119.4° | 120.5° |
| C8 | N9 | C10 | 121.3° | 121.0° |
| N9 | C8 | H3 | 119.4° | 120.6° |
| C7 | C12 | N11 | 121.0° | 118.9° |
| C7 | C12 | H7 | 119.5° | 120.5° |
| N9 | C10 | N11 | 119.5° | 122.0° |
| N9 | C10 | C24 | 120.3° | 119.0° |
| C12 | N11 | C10 | 121.5° | 121.0° |
| N11 | C12 | H7 | 119.5° | 120.5° |
| N11 | C10 | C24 | 120.2° | 119.0° |
| C10 | C24 | H10 | 109.5° | 109.5° |
| C10 | C24 | H11 | 109.5° | 109.5° |
| C10 | C24 | H12 | 109.4° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C15 | C16 | C14 | 179.2° | 179.7° |
| F25 | C15 | C16 | C17 | 179.8° | 179.9° |
| F25 | C15 | C14 | C13 | 0.3° | 0.3° |
| F25 | C15 | C14 | C19 | 179.1° | 179.7° |
| F25 | C15 | C16 | H16 | 0.2° | 0.3° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 1.1° | 0.2° |
| C16 | C15 | C14 | C13 | 179.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.1° | 0.0° |
| C15 | C16 | C17 | H15 | 179.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.6° | 0.3° |
| C16 | C17 | C18 | H15 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.9° | 0.0° |
| C16 | C17 | C18 | H9 | 179.1° | 179.9° |
| C15 | C14 | C13 | C19 | 178.8° | 179.9° |
| C15 | C14 | C13 | C20 | 64.1° | 126.5° |
| C15 | C14 | C13 | C3 | 172.1° | 113.6° |
| C15 | C14 | C19 | C18 | 0.2° | 0.2° |
| C15 | C14 | C19 | H6 | 179.8° | 180.0° |
| C15 | C14 | C13 | H8 | 52.6° | 6.4° |
| C14 | C15 | C16 | H16 | 179.4° | 180.0° |
| C17 | C18 | C19 | C14 | 0.2° | 0.3° |
| C17 | C18 | C19 | H9 | 180.0° | 179.9° |
| C17 | C18 | C19 | H6 | 179.7° | 180.0° |
| C18 | C17 | C16 | H16 | 178.9° | 180.0° |
| C14 | C13 | C20 | C3 | 125.7° | 120.0° |
| C14 | C13 | C20 | H8 | 116.9° | 120.0° |
| C14 | C13 | C3 | H8 | 119.5° | 120.0° |
| C13 | C14 | C19 | C18 | 179.0° | 179.7° |
| C14 | C13 | C20 | N22 | 152.2° | 60.0° |
| C14 | C13 | C20 | O21 | 27.3° | 120.0° |
| C14 | C13 | C3 | C4 | 100.9° | 66.8° |
| C14 | C13 | C3 | C2 | 78.5° | 113.2° |
| C13 | C14 | C19 | H6 | 1.0° | 0.0° |
| C19 | C14 | C13 | C20 | 114.7° | 53.6° |
| C19 | C14 | C13 | C3 | 9.1° | 66.4° |
| C14 | C19 | C18 | H6 | 180.0° | 179.7° |
| C19 | C14 | C13 | H8 | 128.6° | 173.6° |
| C14 | C19 | C18 | H9 | 179.8° | 179.7° |
| C20 | C13 | C3 | H8 | 117.3° | 120.1° |
| C13 | C20 | N22 | O21 | 179.5° | 180.0° |
| C13 | C20 | N22 | O23 | 179.6° | 180.0° |
| C20 | C13 | C3 | C4 | 135.9° | 53.2° |
| C20 | C13 | C3 | C2 | 44.7° | 126.8° |
| C13 | C20 | N22 | H13 | 0.3° | 0.0° |
| C3 | C13 | C20 | N22 | 82.1° | 180.0° |
| C3 | C13 | C20 | O21 | 98.4° | 0.0° |
| C13 | C3 | C4 | C2 | 179.4° | 180.0° |
| C13 | C3 | C4 | C5 | 179.5° | 180.0° |
| C13 | C3 | C2 | C1 | 179.5° | 180.0° |
| C13 | C3 | C4 | H1 | 0.5° | 0.3° |
| C13 | C3 | C2 | H4 | 0.5° | 0.0° |
| C19 | C18 | C17 | H15 | 179.1° | 180.0° |
| C20 | N22 | O23 | H13 | 180.0° | 180.0° |
| N22 | C20 | C13 | H8 | 35.3° | 59.9° |
| C20 | N22 | O23 | H14 | 0.4° | 180.0° |
| O23 | N22 | C20 | O21 | 0.9° | 0.1° |
| O21 | C20 | C13 | H8 | 144.2° | 120.0° |
| O21 | C20 | N22 | H13 | 179.1° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | C4 | C5 | H2 | 179.9° | 179.9° |
| C4 | C3 | C2 | H4 | 179.8° | 180.0° |
| C4 | C3 | C13 | H8 | 18.6° | 173.3° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.0° | 0.1° |
| C4 | C5 | C6 | C7 | 179.9° | 180.0° |
| C3 | C2 | C1 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C2 | C3 | C4 | H1 | 179.9° | 179.7° |
| C3 | C2 | C1 | H5 | 179.9° | 180.0° |
| C2 | C3 | C13 | H8 | 162.0° | 6.7° |
| C5 | C6 | C1 | C2 | 0.0° | 0.1° |
| C5 | C6 | C1 | C7 | 179.9° | 179.9° |
| C5 | C6 | C7 | C8 | 9.6° | 0.2° |
| C5 | C6 | C7 | C12 | 170.3° | 180.0° |
| C6 | C5 | C4 | H1 | 179.9° | 179.7° |
| C5 | C6 | C1 | H5 | 179.9° | 180.0° |
| C2 | C1 | C6 | H5 | 180.0° | 180.0° |
| C2 | C1 | C6 | C7 | 179.9° | 179.9° |
| C1 | C6 | C7 | C8 | 170.3° | 179.7° |
| C1 | C6 | C7 | C12 | 9.8° | 0.1° |
| C1 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C1 | C2 | H4 | 179.9° | 180.0° |
| C6 | C7 | C8 | C12 | 179.9° | 179.7° |
| C6 | C7 | C8 | N9 | 179.9° | 180.0° |
| C6 | C7 | C12 | N11 | 179.8° | 180.0° |
| C7 | C6 | C5 | H2 | 0.1° | 0.1° |
| C6 | C7 | C8 | H3 | 0.1° | 0.0° |
| C7 | C6 | C1 | H5 | 0.2° | 0.1° |
| C6 | C7 | C12 | H7 | 0.2° | 0.0° |
| C7 | C8 | N9 | H3 | 180.0° | 179.9° |
| C7 | C8 | N9 | C10 | 0.3° | 0.0° |
| C8 | C7 | C12 | N11 | 0.3° | 0.3° |
| C8 | C7 | C12 | H7 | 179.7° | 179.7° |
| N9 | C8 | C7 | C12 | 0.2° | 0.3° |
| C8 | N9 | C10 | N11 | 0.6° | 0.3° |
| C8 | N9 | C10 | C24 | 179.5° | 180.0° |
| C7 | C12 | N11 | H7 | 180.0° | 180.0° |
| C7 | C12 | N11 | C10 | 0.1° | 0.0° |
| C12 | C7 | C8 | H3 | 179.8° | 179.8° |
| N9 | C10 | N11 | C12 | 0.5° | 0.3° |
| N9 | C10 | N11 | C24 | 178.9° | 179.7° |
| C10 | N9 | C8 | H3 | 179.7° | 179.9° |
| N9 | C10 | C24 | H10 | 0.0° | 90.3° |
| N9 | C10 | C24 | H11 | 120.0° | 29.7° |
| N9 | C10 | C24 | H12 | 120.0° | 149.7° |
| C12 | N11 | C10 | C24 | 179.4° | 180.0° |
| C10 | N11 | C12 | H7 | 179.9° | 180.0° |
| N11 | C10 | C24 | H10 | 178.9° | 90.0° |
| N11 | C10 | C24 | H11 | 58.9° | 150.0° |
| N11 | C10 | C24 | H12 | 61.1° | 30.0° |
| C10 | C24 | H10 | H11 | 120.0° | 120.0° |
| C10 | C24 | H10 | H12 | 120.0° | 120.0° |
| C10 | C24 | H11 | H12 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.3° |
| H4 | C2 | C1 | H5 | 0.2° | 0.0° |
| H6 | C19 | C18 | H9 | 0.3° | 0.1° |
| H9 | C18 | C17 | H15 | 0.9° | 0.0° |
| H10 | C24 | H11 | H12 | 120.0° | 120.0° |
| H13 | N22 | O23 | H14 | 179.6° | 0.0° |
| H15 | C17 | C16 | H16 | 1.0° | 0.1° |
