8IL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C02 | doub | 1.22Å | 1.27Å | |
| C17 | N18 | sing | 1.37Å | 1.33Å | Aromatic |
| C17 | C16 | doub | 1.34Å | 1.39Å | Aromatic |
| F07 | C06 | sing | 1.40Å | 1.33Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C02 | C03 | sing | 1.47Å | 1.52Å | |
| C03 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C03 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| N13 | C12 | sing | 1.39Å | 1.41Å | |
| N13 | C14 | sing | 1.46Å | 1.43Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C20 | sing | 1.47Å | 1.43Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C05 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | F08 | sing | 1.40Å | 1.33Å | |
| C06 | F09 | sing | 1.40Å | 1.34Å | |
| C19 | C20 | doub | 1.41Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.37Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| N18 | H14 | sing | 0.97Å | 1.00Å | |
| O01 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C02 | O01 | 119.5° | 120.0° |
| O25 | C02 | C03 | 120.9° | 120.0° |
| N18 | C17 | C16 | 107.7° | 109.9° |
| C17 | N18 | C19 | 110.7° | 109.9° |
| N18 | C17 | H4 | 126.1° | 125.0° |
| C17 | N18 | H14 | 124.6° | 125.0° |
| C17 | C16 | C15 | 125.4° | 126.5° |
| C17 | C16 | C20 | 107.5° | 107.0° |
| C16 | C17 | H4 | 126.2° | 125.1° |
| F07 | C06 | C05 | 109.0° | 109.5° |
| F07 | C06 | F08 | 107.9° | 109.4° |
| F07 | C06 | F09 | 110.1° | 109.5° |
| O01 | C02 | C03 | 119.6° | 120.0° |
| C02 | O01 | H15 | 109.5° | 117.0° |
| C02 | C03 | C04 | 119.5° | 120.2° |
| C02 | C03 | C12 | 121.2° | 120.2° |
| C04 | C03 | C12 | 119.3° | 119.6° |
| C03 | C04 | C05 | 120.3° | 119.9° |
| C03 | C04 | H8 | 119.9° | 120.1° |
| C03 | C12 | N13 | 120.4° | 120.2° |
| C03 | C12 | C11 | 120.6° | 119.6° |
| C12 | N13 | C14 | 120.6° | 120.0° |
| N13 | C12 | C11 | 119.0° | 120.2° |
| C12 | N13 | H13 | 106.6° | 120.0° |
| N13 | C14 | C15 | 110.0° | 109.5° |
| N13 | C14 | H10 | 109.3° | 109.5° |
| N13 | C14 | H11 | 109.3° | 109.4° |
| C14 | N13 | H13 | 106.6° | 120.0° |
| C16 | C15 | C14 | 111.7° | 109.5° |
| C15 | C16 | C20 | 127.1° | 126.5° |
| C16 | C15 | H2 | 108.9° | 109.5° |
| C16 | C15 | H3 | 108.9° | 109.4° |
| C14 | C15 | H2 | 108.9° | 109.5° |
| C14 | C15 | H3 | 108.9° | 109.5° |
| C15 | C14 | H10 | 109.3° | 109.5° |
| C15 | C14 | H11 | 109.3° | 109.5° |
| C04 | C05 | C06 | 119.3° | 119.8° |
| C04 | C05 | C10 | 120.6° | 120.4° |
| C05 | C04 | H8 | 119.9° | 120.0° |
| C12 | C11 | C10 | 119.9° | 120.1° |
| C12 | C11 | H9 | 120.0° | 119.9° |
| N18 | C19 | C20 | 108.1° | 107.2° |
| N18 | C19 | C24 | 131.3° | 133.5° |
| C19 | N18 | H14 | 124.6° | 125.1° |
| C16 | C20 | C19 | 106.0° | 106.0° |
| C16 | C20 | C21 | 134.6° | 134.0° |
| C06 | C05 | C10 | 120.1° | 119.8° |
| C05 | C06 | F08 | 109.1° | 109.5° |
| C05 | C06 | F09 | 110.8° | 109.5° |
| C05 | C10 | C11 | 119.3° | 120.4° |
| C05 | C10 | H1 | 120.3° | 119.7° |
| C11 | C10 | H1 | 120.3° | 119.8° |
| C10 | C11 | H9 | 120.1° | 120.0° |
| F08 | C06 | F09 | 109.8° | 109.5° |
| C20 | C19 | C24 | 120.6° | 119.3° |
| C19 | C20 | C21 | 119.5° | 119.9° |
| C19 | C24 | C23 | 120.0° | 119.8° |
| C19 | C24 | H7 | 120.0° | 120.1° |
| C20 | C21 | C22 | 119.9° | 119.8° |
| C20 | C21 | H5 | 120.1° | 120.1° |
| C24 | C23 | C22 | 119.5° | 120.7° |
| C23 | C24 | H7 | 120.0° | 120.1° |
| C24 | C23 | H12 | 120.2° | 119.7° |
| C21 | C22 | C23 | 120.6° | 120.5° |
| C22 | C21 | H5 | 120.0° | 120.1° |
| C21 | C22 | H6 | 119.7° | 119.8° |
| C23 | C22 | H6 | 119.7° | 119.8° |
| C22 | C23 | H12 | 120.2° | 119.6° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C02 | O01 | C03 | 179.9° | 179.9° |
| O25 | C02 | C03 | C04 | 19.8° | 174.1° |
| O25 | C02 | C03 | C12 | 161.3° | 5.7° |
| O25 | C02 | O01 | H15 | 0.0° | 0.1° |
| N18 | C17 | C16 | H4 | 180.0° | 179.8° |
| N18 | C17 | C16 | C15 | 180.0° | 180.0° |
| C17 | N18 | C19 | H14 | 180.0° | 180.0° |
| N18 | C17 | C16 | C20 | 0.4° | 0.0° |
| C17 | N18 | C19 | C20 | 0.1° | 0.0° |
| C17 | N18 | C19 | C24 | 179.7° | 180.0° |
| C17 | C16 | C15 | C20 | 179.6° | 180.0° |
| C17 | C16 | C15 | C14 | 109.5° | 95.0° |
| C16 | C17 | N18 | C19 | 0.3° | 0.0° |
| C17 | C16 | C20 | C19 | 0.3° | 0.0° |
| C17 | C16 | C20 | C21 | 179.7° | 180.0° |
| C17 | C16 | C15 | H2 | 10.8° | 145.0° |
| C17 | C16 | C15 | H3 | 130.2° | 25.0° |
| C16 | C17 | N18 | H14 | 179.7° | 180.0° |
| F07 | C06 | C05 | C04 | 95.7° | 30.0° |
| F07 | C06 | C05 | F08 | 117.6° | 119.9° |
| F07 | C06 | C05 | F09 | 121.3° | 120.0° |
| F07 | C06 | C05 | C10 | 83.8° | 150.1° |
| F07 | C06 | F08 | F09 | 120.1° | 120.0° |
| O01 | C02 | C03 | C04 | 160.1° | 5.8° |
| O01 | C02 | C03 | C12 | 18.8° | 174.3° |
| C02 | C03 | C04 | C12 | 178.9° | 179.8° |
| C02 | C03 | C12 | N13 | 0.5° | 0.2° |
| C02 | C03 | C04 | C05 | 179.6° | 180.0° |
| C02 | C03 | C12 | C11 | 179.5° | 180.0° |
| C02 | C03 | C04 | H8 | 0.4° | 0.1° |
| C03 | C02 | O01 | H15 | 179.9° | 180.0° |
| C04 | C03 | C12 | N13 | 179.4° | 180.0° |
| C03 | C04 | C05 | H8 | 180.0° | 179.9° |
| C04 | C03 | C12 | C11 | 0.6° | 0.2° |
| C03 | C04 | C05 | C06 | 179.3° | 180.0° |
| C03 | C04 | C05 | C10 | 0.2° | 0.1° |
| C03 | C12 | N13 | C11 | 180.0° | 179.8° |
| C03 | C12 | N13 | C14 | 173.4° | 174.4° |
| C12 | C03 | C04 | C05 | 0.7° | 0.2° |
| C03 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C03 | C04 | H8 | 179.3° | 179.7° |
| C03 | C12 | C11 | H9 | 180.0° | 180.0° |
| C03 | C12 | N13 | H13 | 51.9° | 5.5° |
| C12 | N13 | C14 | H13 | 121.5° | 179.9° |
| C12 | N13 | C14 | C15 | 175.3° | 180.0° |
| N13 | C12 | C11 | C10 | 180.0° | 179.8° |
| N13 | C12 | C11 | H9 | 0.0° | 0.3° |
| C12 | N13 | C14 | H10 | 55.2° | 59.9° |
| C12 | N13 | C14 | H11 | 64.7° | 60.0° |
| N13 | C14 | C15 | C16 | 179.1° | 179.9° |
| N13 | C14 | C15 | H10 | 120.1° | 120.1° |
| N13 | C14 | C15 | H11 | 120.1° | 120.0° |
| C14 | N13 | C12 | C11 | 6.5° | 5.4° |
| N13 | C14 | C15 | H2 | 58.8° | 60.0° |
| N13 | C14 | C15 | H3 | 60.6° | 60.0° |
| N13 | C14 | H10 | H11 | 119.8° | 120.0° |
| C16 | C15 | C14 | H2 | 120.3° | 120.0° |
| C16 | C15 | C14 | H3 | 120.3° | 120.0° |
| C15 | C16 | C20 | C19 | 179.9° | 180.0° |
| C15 | C16 | C20 | C21 | 0.6° | 0.0° |
| C16 | C15 | H2 | H3 | 119.0° | 120.0° |
| C15 | C16 | C17 | H4 | 0.0° | 0.2° |
| C16 | C15 | C14 | H10 | 59.0° | 60.0° |
| C16 | C15 | C14 | H11 | 60.8° | 60.0° |
| C14 | C15 | C16 | C20 | 70.1° | 85.0° |
| C14 | C15 | H2 | H3 | 119.0° | 120.0° |
| C15 | C14 | H10 | H11 | 119.7° | 120.0° |
| C15 | C14 | N13 | H13 | 63.2° | 0.1° |
| C04 | C05 | C06 | C10 | 179.5° | 179.9° |
| C04 | C05 | C10 | C11 | 0.4° | 0.3° |
| C04 | C05 | C06 | F08 | 22.0° | 89.9° |
| C04 | C05 | C06 | F09 | 143.0° | 150.0° |
| C04 | C05 | C10 | H1 | 179.6° | 179.9° |
| C12 | C11 | C10 | C05 | 0.5° | 0.2° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 179.5° | 180.0° |
| C11 | C12 | N13 | H13 | 128.0° | 174.7° |
| N18 | C19 | C20 | C16 | 0.1° | 0.0° |
| N18 | C19 | C20 | C24 | 179.9° | 180.0° |
| N18 | C19 | C20 | C21 | 179.6° | 180.0° |
| N18 | C19 | C24 | C23 | 179.5° | 180.0° |
| C19 | N18 | C17 | H4 | 179.7° | 179.8° |
| N18 | C19 | C24 | H7 | 0.5° | 0.1° |
| C16 | C20 | C19 | C21 | 179.5° | 180.0° |
| C16 | C20 | C19 | C24 | 180.0° | 180.0° |
| C16 | C20 | C21 | C22 | 179.9° | 180.0° |
| C20 | C16 | C15 | H2 | 169.6° | 35.0° |
| C20 | C16 | C15 | H3 | 50.2° | 155.0° |
| C20 | C16 | C17 | H4 | 179.7° | 179.8° |
| C16 | C20 | C21 | H5 | 0.1° | 0.0° |
| C06 | C05 | C10 | C11 | 179.9° | 179.8° |
| C05 | C06 | F08 | F09 | 121.7° | 120.0° |
| C06 | C05 | C10 | H1 | 0.1° | 0.0° |
| C06 | C05 | C04 | H8 | 0.7° | 0.1° |
| C05 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C05 | C06 | F08 | 158.5° | 90.0° |
| C10 | C05 | C06 | F09 | 37.5° | 30.0° |
| C10 | C05 | C04 | H8 | 179.8° | 180.0° |
| C05 | C10 | C11 | H9 | 179.5° | 179.7° |
| C20 | C19 | C24 | C23 | 0.6° | 0.0° |
| C19 | C20 | C21 | C22 | 0.6° | 0.0° |
| C19 | C20 | C21 | H5 | 179.4° | 180.0° |
| C20 | C19 | C24 | H7 | 179.4° | 179.9° |
| C20 | C19 | N18 | H14 | 179.8° | 180.0° |
| C24 | C19 | C20 | C21 | 0.5° | 0.0° |
| C19 | C24 | C23 | H7 | 180.0° | 179.9° |
| C19 | C24 | C23 | C22 | 0.7° | 0.0° |
| C19 | C24 | C23 | H12 | 179.3° | 180.0° |
| C24 | C19 | N18 | H14 | 0.3° | 0.0° |
| C20 | C21 | C22 | H5 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.7° | 0.0° |
| C20 | C21 | C22 | H6 | 179.3° | 180.0° |
| C24 | C23 | C22 | C21 | 0.8° | 0.0° |
| C24 | C23 | C22 | H12 | 180.0° | 179.9° |
| C24 | C23 | C22 | H6 | 179.2° | 179.9° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | H12 | 179.2° | 180.0° |
| C23 | C22 | C21 | H5 | 179.3° | 180.0° |
| C22 | C23 | C24 | H7 | 179.2° | 180.0° |
| H1 | C10 | C11 | H9 | 0.5° | 0.1° |
| H2 | C15 | C14 | H10 | 61.3° | 60.0° |
| H2 | C15 | C14 | H11 | 178.8° | NaN° |
| H3 | C15 | C14 | H10 | 179.4° | 180.0° |
| H3 | C15 | C14 | H11 | 59.5° | 60.0° |
| H4 | C17 | N18 | H14 | 0.3° | 0.2° |
| H5 | C21 | C22 | H6 | 0.7° | 0.0° |
| H6 | C22 | C23 | H12 | 0.8° | 0.0° |
| H7 | C24 | C23 | H12 | 0.7° | 0.1° |
| H10 | C14 | N13 | H13 | 176.7° | 120.0° |
| H11 | C14 | N13 | H13 | 56.9° | 120.1° |
