9EL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F8 | C5 | sing | 1.35Å | 1.32Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| F9 | C4 | sing | 1.35Å | 1.34Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | F7 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C10 | sing | 1.51Å | 1.45Å | |
| N16 | C15 | sing | 1.47Å | 1.48Å | |
| C15 | C10 | sing | 1.53Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C10 | O11 | sing | 1.43Å | 1.39Å | |
| O11 | C12 | sing | 1.36Å | 1.35Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.37Å | 1.47Å | Aromatic |
| C12 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.41Å | 1.49Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C23 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C20 | sing | 1.42Å | 1.50Å | Aromatic |
| C23 | C24 | sing | 1.36Å | 1.39Å | Aromatic |
| C28 | O27 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C20 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | O27 | sing | 1.36Å | 1.36Å | |
| C24 | C25 | doub | 1.41Å | 1.48Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.43Å | 1.25Å | |
| C30 | N31 | trip | 1.14Å | 1.13Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| N16 | H7 | sing | 1.01Å | 1.00Å | |
| N16 | H8 | sing | 1.01Å | 1.00Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F8 | C5 | C6 | 119.4° | 120.0° |
| F8 | C5 | C4 | 119.2° | 120.0° |
| C6 | C5 | C4 | 121.3° | 120.0° |
| C5 | C6 | C1 | 120.4° | 119.9° |
| C5 | C6 | H2 | 119.8° | 120.1° |
| C5 | C4 | F9 | 119.1° | 120.0° |
| C5 | C4 | C3 | 118.7° | 120.0° |
| C6 | C1 | F7 | 121.7° | 120.0° |
| C6 | C1 | C2 | 118.8° | 120.1° |
| C1 | C6 | H2 | 119.8° | 120.0° |
| F9 | C4 | C3 | 122.2° | 120.0° |
| C4 | C3 | C2 | 119.6° | 120.0° |
| C4 | C3 | H1 | 120.2° | 120.0° |
| F7 | C1 | C2 | 119.5° | 120.0° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C1 | C2 | C10 | 116.8° | 120.0° |
| C3 | C2 | C10 | 121.9° | 120.0° |
| C2 | C3 | H1 | 120.2° | 119.9° |
| C2 | C10 | C15 | 107.0° | 109.7° |
| C2 | C10 | O11 | 108.4° | 109.7° |
| C2 | C10 | H3 | 110.2° | 109.7° |
| N16 | C15 | C10 | 109.0° | 109.7° |
| N16 | C15 | C14 | 106.8° | 109.8° |
| N16 | C15 | H6 | 109.9° | 109.7° |
| C15 | N16 | H7 | 109.5° | 111.0° |
| C15 | N16 | H8 | 109.5° | 111.1° |
| C10 | C15 | C14 | 111.8° | 108.2° |
| C15 | C10 | O11 | 110.6° | 108.3° |
| C15 | C10 | H3 | 109.5° | 109.7° |
| C10 | C15 | H6 | 109.7° | 109.7° |
| C15 | C14 | C13 | 112.5° | 109.7° |
| C15 | C14 | H4 | 108.7° | 109.4° |
| C15 | C14 | H5 | 108.7° | 109.4° |
| C14 | C15 | H6 | 109.6° | 109.7° |
| C10 | O11 | C12 | 116.6° | 118.0° |
| O11 | C10 | H3 | 111.1° | 109.7° |
| O11 | C12 | C13 | 118.4° | 121.7° |
| O11 | C12 | C22 | 120.8° | 118.0° |
| C14 | C13 | C12 | 120.8° | 121.7° |
| C14 | C13 | C17 | 121.3° | 118.7° |
| C13 | C14 | H4 | 108.7° | 109.4° |
| C13 | C14 | H5 | 108.7° | 109.5° |
| C13 | C12 | C22 | 120.8° | 120.3° |
| C12 | C13 | C17 | 118.0° | 119.7° |
| C12 | C22 | C21 | 122.2° | 121.3° |
| C12 | C22 | H11 | 118.9° | 119.3° |
| C13 | C17 | C23 | 122.5° | 120.7° |
| C13 | C17 | C20 | 116.6° | 119.6° |
| C22 | C21 | C20 | 121.2° | 119.8° |
| C22 | C21 | H10 | 119.4° | 120.0° |
| C21 | C22 | H11 | 118.9° | 119.4° |
| C23 | C17 | C20 | 120.9° | 119.8° |
| C17 | C23 | C24 | 119.3° | 120.0° |
| C17 | C23 | H12 | 120.3° | 120.0° |
| C17 | C20 | C21 | 121.2° | 119.4° |
| C17 | C20 | C26 | 118.9° | 119.6° |
| C23 | C24 | O27 | 124.1° | 119.7° |
| C23 | C24 | C25 | 119.0° | 120.7° |
| C24 | C23 | H12 | 120.4° | 120.0° |
| C28 | O27 | C24 | 126.0° | 117.0° |
| O27 | C28 | H14 | 109.5° | 109.4° |
| O27 | C28 | H15 | 109.5° | 109.5° |
| O27 | C28 | H16 | 109.5° | 109.5° |
| C21 | C20 | C26 | 119.9° | 121.0° |
| C20 | C21 | H10 | 119.4° | 120.1° |
| C20 | C26 | C25 | 119.3° | 119.5° |
| C20 | C26 | H13 | 120.4° | 120.2° |
| O27 | C24 | C25 | 116.9° | 119.6° |
| C24 | C25 | C26 | 122.6° | 120.4° |
| C24 | C25 | C30 | 119.7° | 119.8° |
| C26 | C25 | C30 | 117.8° | 119.8° |
| C25 | C26 | H13 | 120.3° | 120.3° |
| C25 | C30 | N31 | 176.4° | 179.9° |
| H4 | C14 | H5 | 109.5° | 109.4° |
| H7 | N16 | H8 | 109.5° | 110.9° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H14 | C28 | H16 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F8 | C5 | C6 | C4 | 177.9° | 179.5° |
| F8 | C5 | C6 | C1 | 177.7° | 180.0° |
| F8 | C5 | C4 | F9 | 1.0° | 0.3° |
| F8 | C5 | C4 | C3 | 178.7° | 179.7° |
| F8 | C5 | C6 | H2 | 2.3° | 0.6° |
| C5 | C6 | C1 | H2 | 180.0° | 179.4° |
| C6 | C5 | C4 | F9 | 178.9° | 179.8° |
| C6 | C5 | C4 | C3 | 0.8° | 0.2° |
| C5 | C6 | C1 | F7 | 179.4° | 179.7° |
| C5 | C6 | C1 | C2 | 1.1° | 0.6° |
| C4 | C5 | C6 | C1 | 0.2° | 0.6° |
| C5 | C4 | F9 | C3 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C5 | C4 | C3 | H1 | 179.3° | 180.0° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C6 | C1 | F7 | C2 | 178.2° | 179.7° |
| C6 | C1 | C2 | C3 | 1.2° | 0.4° |
| C6 | C1 | C2 | C10 | 178.3° | 179.7° |
| F9 | C4 | C3 | C2 | 178.9° | 180.0° |
| F9 | C4 | C3 | H1 | 1.1° | 0.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | C10 | 179.2° | 180.0° |
| F7 | C1 | C2 | C3 | 179.5° | 180.0° |
| F7 | C1 | C2 | C10 | 0.0° | 0.0° |
| F7 | C1 | C6 | H2 | 0.6° | 0.3° |
| C1 | C2 | C3 | C10 | 179.5° | 180.0° |
| C1 | C2 | C10 | C15 | 94.8° | 86.1° |
| C1 | C2 | C10 | O11 | 145.9° | 155.0° |
| C1 | C2 | C3 | H1 | 179.7° | 179.9° |
| C2 | C1 | C6 | H2 | 178.9° | 180.0° |
| C1 | C2 | C10 | H3 | 24.1° | 34.5° |
| C3 | C2 | C10 | C15 | 84.7° | 93.9° |
| C3 | C2 | C10 | O11 | 34.6° | 25.0° |
| C3 | C2 | C10 | H3 | 156.3° | 145.6° |
| C2 | C10 | C15 | N16 | 64.4° | 56.2° |
| C2 | C10 | C15 | O11 | 117.9° | 119.7° |
| C2 | C10 | C15 | H3 | 119.4° | 120.5° |
| C2 | C10 | C15 | C14 | 177.7° | 175.9° |
| C2 | C10 | O11 | H3 | 121.2° | 120.5° |
| C2 | C10 | O11 | C12 | 176.0° | 168.9° |
| C10 | C2 | C3 | H1 | 0.8° | 0.0° |
| C2 | C10 | C15 | H6 | 55.9° | 64.4° |
| N16 | C15 | C10 | C14 | 117.9° | 119.7° |
| N16 | C15 | C10 | H6 | 120.4° | 120.6° |
| N16 | C15 | C14 | H6 | 119.0° | 120.6° |
| N16 | C15 | C10 | O11 | 177.7° | 175.9° |
| N16 | C15 | C14 | C13 | 150.7° | 167.6° |
| N16 | C15 | C10 | H3 | 55.0° | 64.3° |
| N16 | C15 | C14 | H4 | 88.8° | 47.6° |
| N16 | C15 | C14 | H5 | 30.3° | 72.3° |
| C15 | N16 | H7 | H8 | 120.0° | 124.0° |
| C10 | C15 | C14 | H6 | 121.8° | 119.7° |
| C15 | C10 | O11 | H3 | 121.8° | 119.8° |
| C15 | C10 | O11 | C12 | 59.0° | 49.2° |
| C10 | C15 | C14 | C13 | 31.6° | 47.9° |
| C10 | C15 | C14 | H4 | 152.0° | 72.1° |
| C10 | C15 | C14 | H5 | 88.9° | 168.1° |
| C10 | C15 | N16 | H7 | 180.0° | 180.0° |
| C10 | C15 | N16 | H8 | 60.0° | 56.1° |
| C14 | C15 | C10 | O11 | 59.8° | 64.3° |
| C15 | C14 | C13 | H4 | 120.5° | 120.0° |
| C15 | C14 | C13 | H5 | 120.5° | 120.0° |
| C15 | C14 | C13 | C12 | 3.2° | 17.8° |
| C15 | C14 | C13 | C17 | 176.6° | 162.4° |
| C14 | C15 | C10 | H3 | 62.9° | 55.4° |
| C15 | C14 | H4 | H5 | 118.6° | 119.8° |
| C14 | C15 | N16 | H7 | 59.1° | 61.3° |
| C14 | C15 | N16 | H8 | 179.1° | 174.8° |
| C10 | O11 | C12 | C13 | 28.7° | 17.5° |
| C10 | O11 | C12 | C22 | 152.2° | 162.6° |
| O11 | C10 | C15 | H6 | 61.9° | 55.3° |
| O11 | C12 | C13 | C14 | 0.1° | 0.7° |
| O11 | C12 | C13 | C22 | 179.1° | 179.9° |
| O11 | C12 | C13 | C17 | 179.8° | 179.6° |
| O11 | C12 | C22 | C21 | 178.8° | 179.7° |
| C12 | O11 | C10 | H3 | 62.8° | 70.5° |
| O11 | C12 | C22 | H11 | 1.2° | 0.3° |
| C14 | C13 | C12 | C17 | 179.9° | 179.8° |
| C14 | C13 | C12 | C22 | 179.2° | 179.4° |
| C14 | C13 | C17 | C23 | 0.1° | 0.4° |
| C14 | C13 | C17 | C20 | 178.8° | 179.6° |
| C13 | C14 | H4 | H5 | 118.6° | 120.0° |
| C13 | C14 | C15 | H6 | 90.2° | 71.7° |
| C13 | C12 | C22 | C21 | 0.3° | 0.2° |
| C12 | C13 | C17 | C23 | 179.7° | 179.8° |
| C12 | C13 | C17 | C20 | 1.1° | 0.2° |
| C12 | C13 | C14 | H4 | 123.7° | 102.2° |
| C12 | C13 | C14 | H5 | 117.2° | 137.9° |
| C13 | C12 | C22 | H11 | 179.7° | 179.8° |
| C22 | C12 | C13 | C17 | 0.7° | 0.3° |
| C12 | C22 | C21 | H11 | 180.0° | 180.0° |
| C12 | C22 | C21 | C20 | 0.9° | 0.1° |
| C12 | C22 | C21 | H10 | 179.1° | 179.9° |
| C13 | C17 | C23 | C20 | 178.6° | 180.0° |
| C13 | C17 | C23 | C24 | 178.4° | 180.0° |
| C13 | C17 | C20 | C21 | 0.5° | 0.1° |
| C13 | C17 | C20 | C26 | 178.9° | 180.0° |
| C17 | C13 | C14 | H4 | 56.1° | 77.5° |
| C17 | C13 | C14 | H5 | 62.9° | 42.4° |
| C13 | C17 | C23 | H12 | 1.7° | 0.0° |
| C22 | C21 | C20 | C17 | 0.5° | 0.2° |
| C22 | C21 | C20 | H10 | 180.0° | 180.0° |
| C22 | C21 | C20 | C26 | 179.8° | 179.8° |
| C17 | C23 | C24 | H12 | 180.0° | 180.0° |
| C23 | C17 | C20 | C21 | 179.2° | 179.9° |
| C23 | C17 | C20 | C26 | 0.2° | 0.1° |
| C17 | C23 | C24 | O27 | 179.3° | 180.0° |
| C17 | C23 | C24 | C25 | 0.9° | 0.0° |
| C20 | C17 | C23 | C24 | 0.3° | 0.1° |
| C17 | C20 | C21 | C26 | 179.4° | 179.9° |
| C17 | C20 | C26 | C25 | 0.1° | 0.0° |
| C17 | C20 | C21 | H10 | 179.6° | 179.8° |
| C20 | C17 | C23 | H12 | 179.7° | 179.9° |
| C17 | C20 | C26 | H13 | 179.9° | 180.0° |
| C23 | C24 | O27 | C28 | 20.6° | 0.0° |
| C23 | C24 | O27 | C25 | 178.5° | 180.0° |
| C23 | C24 | C25 | C26 | 1.2° | 0.1° |
| C23 | C24 | C25 | C30 | 179.6° | 179.9° |
| C28 | O27 | C24 | C25 | 160.9° | 180.0° |
| O27 | C28 | H14 | H15 | 120.0° | 120.0° |
| O27 | C28 | H14 | H16 | 120.0° | 120.0° |
| O27 | C28 | H15 | H16 | 120.0° | 120.1° |
| C21 | C20 | C26 | C25 | 179.5° | 180.0° |
| C20 | C21 | C22 | H11 | 179.1° | 179.9° |
| C21 | C20 | C26 | H13 | 0.5° | 0.1° |
| C20 | C26 | C25 | C24 | 0.7° | 0.1° |
| C20 | C26 | C25 | H13 | 180.0° | 180.0° |
| C20 | C26 | C25 | C30 | 179.2° | 179.9° |
| C26 | C20 | C21 | H10 | 0.2° | 0.2° |
| O27 | C24 | C25 | C26 | 179.7° | 179.9° |
| O27 | C24 | C25 | C30 | 1.9° | 0.1° |
| O27 | C24 | C23 | H12 | 0.7° | 0.0° |
| C24 | O27 | C28 | H14 | 180.0° | 180.0° |
| C24 | O27 | C28 | H15 | 60.0° | 60.0° |
| C24 | O27 | C28 | H16 | 60.0° | 60.0° |
| C24 | C25 | C26 | C30 | 178.4° | 180.0° |
| C24 | C25 | C30 | N31 | 47.9° | 91.3° |
| C25 | C24 | C23 | H12 | 179.1° | 180.0° |
| C24 | C25 | C26 | H13 | 179.3° | 179.9° |
| C26 | C25 | C30 | N31 | 130.5° | 88.7° |
| C30 | C25 | C26 | H13 | 0.8° | 0.1° |
| H3 | C10 | C15 | H6 | 175.3° | 175.1° |
| H4 | C14 | C15 | H6 | 30.2° | 168.2° |
| H5 | C14 | C15 | H6 | 149.3° | 48.4° |
| H6 | C15 | N16 | H7 | 59.8° | 59.4° |
| H6 | C15 | N16 | H8 | 60.2° | 64.5° |
| H10 | C21 | C22 | H11 | 0.9° | 0.1° |
| H14 | C28 | H15 | H16 | 120.0° | 120.0° |
