A1LYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F26 | C25 | sing | 1.40Å | 1.37Å | |
| F27 | C25 | sing | 1.40Å | 1.37Å | |
| C25 | O24 | sing | 1.43Å | 1.39Å | |
| C25 | F28 | sing | 1.40Å | 1.36Å | |
| O24 | C21 | sing | 1.36Å | 1.39Å | |
| C21 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C03 | sing | 1.48Å | 1.51Å | |
| O13 | C12 | doub | 1.21Å | 1.25Å | |
| C03 | N04 | doub | 1.32Å | 1.29Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.35Å | Aromatic |
| N04 | C05 | sing | 1.33Å | 1.31Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | O14 | sing | 1.34Å | 1.25Å | |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C07 | sing | 1.48Å | 1.48Å | |
| C05 | C06 | doub | 1.39Å | 1.37Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.16Å | |
| C07 | N09 | sing | 1.35Å | 1.45Å | |
| N09 | C10 | sing | 1.47Å | 1.45Å | |
| C10 | C15 | sing | 1.51Å | 1.50Å | |
| C01 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| O17 | C15 | doub | 1.21Å | 1.26Å | |
| C15 | O16 | sing | 1.34Å | 1.25Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| N09 | H7 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| O14 | H10 | sing | 0.97Å | 0.95Å | |
| O16 | H11 | sing | 0.97Å | 0.95Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F26 | C25 | F27 | 110.2° | 109.5° |
| F26 | C25 | O24 | 108.6° | 109.4° |
| F26 | C25 | F28 | 111.0° | 109.5° |
| F27 | C25 | O24 | 109.0° | 109.5° |
| F27 | C25 | F28 | 109.8° | 109.5° |
| O24 | C25 | F28 | 108.3° | 109.5° |
| C25 | O24 | C21 | 111.9° | 117.0° |
| O24 | C21 | C20 | 118.6° | 119.9° |
| O24 | C21 | C22 | 119.9° | 119.9° |
| C20 | C21 | C22 | 121.5° | 120.1° |
| C21 | C20 | C19 | 119.2° | 120.1° |
| C21 | C20 | H2 | 120.4° | 120.0° |
| C21 | C22 | C23 | 119.2° | 120.0° |
| C21 | C22 | H3 | 120.4° | 120.0° |
| C20 | C19 | C18 | 119.4° | 119.9° |
| C19 | C20 | H2 | 120.4° | 120.0° |
| C20 | C19 | H12 | 120.3° | 120.1° |
| C22 | C23 | C18 | 118.9° | 119.9° |
| C23 | C22 | H3 | 120.4° | 120.0° |
| C22 | C23 | H13 | 120.6° | 120.0° |
| C19 | C18 | C23 | 121.8° | 119.9° |
| C19 | C18 | C03 | 117.2° | 120.1° |
| C18 | C19 | H12 | 120.3° | 120.0° |
| C23 | C18 | C03 | 121.0° | 120.0° |
| C18 | C23 | H13 | 120.5° | 120.1° |
| C18 | C03 | N04 | 119.7° | 119.7° |
| C18 | C03 | C02 | 120.8° | 119.7° |
| O13 | C12 | C11 | 122.2° | 120.0° |
| O13 | C12 | O14 | 118.3° | 120.0° |
| N04 | C03 | C02 | 119.6° | 120.7° |
| C03 | N04 | C05 | 120.1° | 121.5° |
| C03 | C02 | C01 | 120.5° | 119.3° |
| C03 | C02 | H5 | 119.8° | 120.3° |
| N04 | C05 | C07 | 114.3° | 119.6° |
| N04 | C05 | C06 | 126.1° | 120.7° |
| C12 | C11 | C10 | 109.6° | 109.5° |
| C11 | C12 | O14 | 119.4° | 120.0° |
| C12 | C11 | H8 | 109.4° | 109.5° |
| C12 | C11 | H9 | 109.4° | 109.5° |
| C11 | C10 | N09 | 117.0° | 109.5° |
| C11 | C10 | C15 | 112.1° | 109.5° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C10 | C11 | H8 | 109.4° | 109.5° |
| C10 | C11 | H9 | 109.4° | 109.5° |
| C12 | O14 | H10 | 109.5° | 117.0° |
| C02 | C01 | C06 | 120.1° | 118.6° |
| C02 | C01 | H4 | 120.0° | 120.7° |
| C01 | C02 | H5 | 119.7° | 120.4° |
| C07 | C05 | C06 | 119.6° | 119.6° |
| C05 | C07 | O08 | 112.5° | 120.0° |
| C05 | C07 | N09 | 123.8° | 120.0° |
| C05 | C06 | C01 | 113.6° | 119.2° |
| C05 | C06 | H6 | 123.2° | 120.4° |
| O08 | C07 | N09 | 123.4° | 120.0° |
| C07 | N09 | C10 | 124.4° | 120.0° |
| C07 | N09 | H7 | 117.8° | 120.0° |
| N09 | C10 | C15 | 100.1° | 109.5° |
| N09 | C10 | H1 | 109.7° | 109.5° |
| C10 | N09 | H7 | 117.8° | 120.0° |
| C10 | C15 | O17 | 121.4° | 120.0° |
| C10 | C15 | O16 | 116.4° | 120.0° |
| C15 | C10 | H1 | 109.0° | 109.5° |
| C06 | C01 | H4 | 119.9° | 120.7° |
| C01 | C06 | H6 | 123.2° | 120.4° |
| O17 | C15 | O16 | 122.1° | 120.0° |
| C15 | O16 | H11 | 109.5° | 117.0° |
| H8 | C11 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F26 | C25 | F27 | O24 | 119.1° | 120.0° |
| F26 | C25 | F27 | F28 | 122.5° | 120.0° |
| F26 | C25 | O24 | F28 | 120.6° | 120.0° |
| F26 | C25 | O24 | C21 | 150.6° | 180.0° |
| F27 | C25 | O24 | F28 | 119.4° | 120.0° |
| F27 | C25 | O24 | C21 | 89.4° | 60.0° |
| C25 | O24 | C21 | C20 | 154.9° | 180.0° |
| C25 | O24 | C21 | C22 | 25.0° | 0.1° |
| F28 | C25 | O24 | C21 | 30.0° | 60.0° |
| O24 | C21 | C20 | C22 | 180.0° | 179.9° |
| O24 | C21 | C20 | C19 | 179.9° | 179.9° |
| O24 | C21 | C22 | C23 | 179.8° | 180.0° |
| O24 | C21 | C20 | H2 | 0.1° | 0.3° |
| O24 | C21 | C22 | H3 | 0.1° | 0.1° |
| C21 | C20 | C19 | H2 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C21 | C20 | C19 | C18 | 0.2° | 0.2° |
| C20 | C21 | C22 | H3 | 179.8° | 180.0° |
| C21 | C20 | C19 | H12 | 179.8° | 179.7° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C21 | C22 | C23 | H3 | 180.0° | 179.9° |
| C21 | C22 | C23 | C18 | 0.3° | 0.3° |
| C22 | C21 | C20 | H2 | 179.8° | 179.8° |
| C21 | C22 | C23 | H13 | 179.7° | 179.9° |
| C20 | C19 | C18 | H12 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.3° | 0.5° |
| C20 | C19 | C18 | C03 | 180.0° | 179.9° |
| C22 | C23 | C18 | C19 | 0.4° | 0.5° |
| C22 | C23 | C18 | H13 | 180.0° | 179.7° |
| C22 | C23 | C18 | C03 | 180.0° | 180.0° |
| C19 | C18 | C23 | C03 | 179.7° | 179.5° |
| C19 | C18 | C03 | N04 | 35.5° | 0.0° |
| C19 | C18 | C03 | C02 | 144.2° | 180.0° |
| C18 | C19 | C20 | H2 | 179.8° | 180.0° |
| C19 | C18 | C23 | H13 | 179.6° | 179.7° |
| C23 | C18 | C03 | N04 | 144.8° | 179.5° |
| C23 | C18 | C03 | C02 | 35.5° | 0.5° |
| C18 | C23 | C22 | H3 | 179.7° | 179.8° |
| C23 | C18 | C19 | H12 | 179.7° | 179.5° |
| C18 | C03 | N04 | C02 | 179.7° | 180.0° |
| C18 | C03 | N04 | C05 | 179.4° | 180.0° |
| C18 | C03 | C02 | C01 | 179.1° | 180.0° |
| C18 | C03 | C02 | H5 | 1.0° | 0.0° |
| C03 | C18 | C19 | H12 | 0.0° | 0.0° |
| C03 | C18 | C23 | H13 | 0.0° | 0.3° |
| O13 | C12 | C11 | O14 | 179.5° | 180.0° |
| O13 | C12 | C11 | C10 | 175.4° | 0.0° |
| O13 | C12 | C11 | H8 | 55.4° | 120.0° |
| O13 | C12 | C11 | H9 | 64.6° | 120.0° |
| O13 | C12 | O14 | H10 | 0.0° | 0.1° |
| N04 | C03 | C02 | C01 | 0.7° | 0.1° |
| C03 | N04 | C05 | C07 | 179.6° | 179.9° |
| C03 | N04 | C05 | C06 | 2.5° | 0.0° |
| N04 | C03 | C02 | H5 | 179.3° | 180.0° |
| C02 | C03 | N04 | C05 | 0.9° | 0.1° |
| C03 | C02 | C01 | H5 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.9° | 0.0° |
| C03 | C02 | C01 | H4 | 179.2° | 179.7° |
| N04 | C05 | C07 | C06 | 177.3° | 180.0° |
| N04 | C05 | C07 | O08 | 74.1° | 179.9° |
| N04 | C05 | C07 | N09 | 100.8° | 0.0° |
| N04 | C05 | C06 | C01 | 2.2° | 0.0° |
| N04 | C05 | C06 | H6 | 177.8° | 179.7° |
| C12 | C11 | C10 | H8 | 120.0° | 120.0° |
| C12 | C11 | C10 | H9 | 120.0° | 120.0° |
| C12 | C11 | C10 | N09 | 163.4° | 65.0° |
| C12 | C11 | C10 | C15 | 81.8° | 175.0° |
| C12 | C11 | C10 | H1 | 38.6° | 55.0° |
| C12 | C11 | H8 | H9 | 119.9° | 120.0° |
| C11 | C12 | O14 | H10 | 179.5° | 180.0° |
| C10 | C11 | C12 | O14 | 4.0° | 180.0° |
| C11 | C10 | N09 | C07 | 92.3° | 155.0° |
| C11 | C10 | N09 | C15 | 121.3° | 120.0° |
| C11 | C10 | N09 | H1 | 124.2° | 120.0° |
| C11 | C10 | C15 | H1 | 120.2° | 120.0° |
| C11 | C10 | C15 | O17 | 16.4° | 120.0° |
| C11 | C10 | C15 | O16 | 162.9° | 60.0° |
| C11 | C10 | N09 | H7 | 87.7° | 25.0° |
| C10 | C11 | H8 | H9 | 119.9° | 120.0° |
| O14 | C12 | C11 | H8 | 124.1° | 60.0° |
| O14 | C12 | C11 | H9 | 116.0° | 60.0° |
| C02 | C01 | C06 | C05 | 0.4° | 0.0° |
| C02 | C01 | C06 | H4 | 180.0° | 179.7° |
| C02 | C01 | C06 | H6 | 179.5° | 179.7° |
| C05 | C07 | O08 | N09 | 175.0° | 179.9° |
| C05 | C07 | N09 | C10 | 4.7° | 180.0° |
| C07 | C05 | C06 | C01 | 179.1° | 180.0° |
| C07 | C05 | C06 | H6 | 0.9° | 0.3° |
| C05 | C07 | N09 | H7 | 175.3° | 0.0° |
| C06 | C05 | C07 | O08 | 103.2° | 0.1° |
| C06 | C05 | C07 | N09 | 81.9° | 180.0° |
| C05 | C06 | C01 | H6 | 180.0° | 179.7° |
| C05 | C06 | C01 | H4 | 179.5° | 179.7° |
| O08 | C07 | N09 | C10 | 179.1° | 0.1° |
| O08 | C07 | N09 | H7 | 0.9° | 180.0° |
| C07 | N09 | C10 | H7 | 180.0° | 180.0° |
| C07 | N09 | C10 | C15 | 146.4° | 85.0° |
| C07 | N09 | C10 | H1 | 32.0° | 35.0° |
| N09 | C10 | C15 | H1 | 115.0° | 120.0° |
| N09 | C10 | C15 | O17 | 141.1° | 0.1° |
| N09 | C10 | C15 | O16 | 38.2° | 180.0° |
| N09 | C10 | C11 | H8 | 76.6° | 55.0° |
| N09 | C10 | C11 | H9 | 43.4° | 175.0° |
| C10 | C15 | O17 | O16 | 179.3° | 180.0° |
| C15 | C10 | N09 | H7 | 33.6° | 95.0° |
| C15 | C10 | C11 | H8 | 38.2° | 65.0° |
| C15 | C10 | C11 | H9 | 158.1° | 55.0° |
| C10 | C15 | O16 | H11 | 179.3° | 180.0° |
| C06 | C01 | C02 | H5 | 179.1° | 180.0° |
| O17 | C15 | C10 | H1 | 103.9° | 120.0° |
| O17 | C15 | O16 | H11 | 0.0° | 0.0° |
| O16 | C15 | C10 | H1 | 76.8° | 60.0° |
| H1 | C10 | N09 | H7 | 148.1° | 145.0° |
| H1 | C10 | C11 | H8 | 158.7° | 175.0° |
| H1 | C10 | C11 | H9 | 81.4° | 65.0° |
| H2 | C20 | C19 | H12 | 0.2° | 0.0° |
| H3 | C22 | C23 | H13 | 0.3° | 0.0° |
| H4 | C01 | C02 | H5 | 0.8° | 0.3° |
| H4 | C01 | C06 | H6 | 0.5° | 0.0° |
