KA7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C15 | sing | 1.74Å | 1.74Å | |
| C15 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | N19 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| O25 | S29 | doub | 1.42Å | 1.44Å | |
| N19 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| O24 | S29 | doub | 1.42Å | 1.46Å | |
| C14 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | S29 | sing | 1.76Å | 1.78Å | |
| C16 | O26 | sing | 1.36Å | 1.38Å | |
| S29 | N23 | sing | 1.66Å | 1.69Å | |
| O26 | C18 | sing | 1.43Å | 1.44Å | |
| N23 | C11 | sing | 1.40Å | 1.42Å | |
| C3 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | F28 | sing | 1.35Å | 1.34Å | |
| C13 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C10 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | F27 | sing | 1.35Å | 1.33Å | |
| C10 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | trip | 1.17Å | 1.20Å | |
| C1 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | N20 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | N21 | doub | 1.32Å | 1.34Å | Aromatic |
| N20 | C17 | doub | 1.33Å | 1.34Å | Aromatic |
| N21 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | N22 | sing | 1.38Å | 1.39Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| N22 | H10 | sing | 0.97Å | 1.00Å | |
| N22 | H11 | sing | 0.97Å | 1.00Å | |
| N23 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C15 | C8 | 120.6° | 120.4° |
| CL | C15 | C5 | 120.9° | 120.4° |
| C8 | C15 | C5 | 118.4° | 119.2° |
| C15 | C8 | N19 | 125.7° | 120.8° |
| C15 | C8 | H5 | 117.2° | 119.6° |
| C15 | C5 | C14 | 117.0° | 118.5° |
| C15 | C5 | H2 | 121.5° | 120.8° |
| C8 | N19 | C16 | 115.0° | 121.7° |
| N19 | C8 | H5 | 117.1° | 119.6° |
| C5 | C14 | C16 | 120.6° | 119.1° |
| C5 | C14 | S29 | 118.3° | 120.5° |
| C14 | C5 | H2 | 121.5° | 120.8° |
| O25 | S29 | O24 | 118.6° | 123.1° |
| O25 | S29 | C14 | 104.8° | 106.4° |
| O25 | S29 | N23 | 102.6° | 106.4° |
| N19 | C16 | C14 | 123.3° | 120.7° |
| N19 | C16 | O26 | 119.7° | 119.7° |
| O24 | S29 | C14 | 107.5° | 106.4° |
| O24 | S29 | N23 | 114.1° | 106.4° |
| C16 | C14 | S29 | 121.1° | 120.4° |
| C14 | C16 | O26 | 117.0° | 119.7° |
| C14 | S29 | N23 | 108.6° | 107.2° |
| C16 | O26 | C18 | 110.9° | 117.0° |
| S29 | N23 | C11 | 122.1° | 120.0° |
| S29 | N23 | H12 | 106.2° | 120.0° |
| O26 | C18 | H7 | 109.5° | 109.4° |
| O26 | C18 | H8 | 109.5° | 109.4° |
| O26 | C18 | H9 | 109.5° | 109.5° |
| N23 | C11 | C3 | 126.4° | 119.9° |
| N23 | C11 | C13 | 111.9° | 120.0° |
| C11 | N23 | H12 | 106.2° | 120.0° |
| C11 | C3 | C4 | 117.7° | 120.3° |
| C3 | C11 | C13 | 121.6° | 120.0° |
| C11 | C3 | H6 | 121.2° | 119.9° |
| C3 | C4 | C12 | 120.2° | 120.3° |
| C3 | C4 | H1 | 119.9° | 119.9° |
| C4 | C3 | H6 | 121.2° | 119.9° |
| C11 | C13 | F28 | 117.8° | 120.1° |
| C11 | C13 | C10 | 121.2° | 119.8° |
| C4 | C12 | C10 | 121.5° | 120.0° |
| C4 | C12 | F27 | 120.3° | 120.0° |
| C12 | C4 | H1 | 119.9° | 119.8° |
| F28 | C13 | C10 | 121.0° | 120.1° |
| C13 | C10 | C12 | 117.7° | 119.7° |
| C13 | C10 | C2 | 119.1° | 120.1° |
| C10 | C12 | F27 | 118.2° | 120.0° |
| C12 | C10 | C2 | 123.1° | 120.2° |
| C10 | C2 | C1 | 178.0° | 179.9° |
| C2 | C1 | C9 | 175.4° | 180.0° |
| C1 | C9 | C6 | 121.8° | 120.8° |
| C1 | C9 | C7 | 122.2° | 120.9° |
| C6 | C9 | C7 | 116.0° | 118.3° |
| C9 | C6 | N20 | 122.6° | 119.0° |
| C9 | C6 | H3 | 118.7° | 120.5° |
| C9 | C7 | N21 | 123.3° | 119.0° |
| C9 | C7 | H4 | 118.4° | 120.5° |
| C6 | N20 | C17 | 116.9° | 120.9° |
| N20 | C6 | H3 | 118.7° | 120.5° |
| C7 | N21 | C17 | 116.2° | 120.9° |
| N21 | C7 | H4 | 118.3° | 120.5° |
| N20 | C17 | N21 | 125.0° | 122.0° |
| N20 | C17 | N22 | 118.0° | 119.0° |
| N21 | C17 | N22 | 117.0° | 119.0° |
| C17 | N22 | H10 | 109.5° | 120.0° |
| C17 | N22 | H11 | 109.5° | 120.0° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.4° | 109.5° |
| H10 | N22 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C15 | C8 | C5 | 179.0° | 180.0° |
| CL | C15 | C8 | N19 | 179.5° | 179.4° |
| CL | C15 | C5 | C14 | 179.3° | 180.0° |
| CL | C15 | C5 | H2 | 0.7° | 0.3° |
| CL | C15 | C8 | H5 | 0.4° | 0.3° |
| C15 | C8 | N19 | H5 | 180.0° | 179.1° |
| C8 | C15 | C5 | C14 | 0.3° | 0.0° |
| C15 | C8 | N19 | C16 | 0.1° | 0.8° |
| C8 | C15 | C5 | H2 | 179.7° | 179.7° |
| C5 | C15 | C8 | N19 | 0.5° | 0.6° |
| C15 | C5 | C14 | H2 | 180.0° | 179.7° |
| C15 | C5 | C14 | C16 | 0.6° | 0.3° |
| C15 | C5 | C14 | S29 | 178.7° | 179.7° |
| C5 | C15 | C8 | H5 | 179.5° | 179.7° |
| C8 | N19 | C16 | C14 | 1.1° | 0.5° |
| C8 | N19 | C16 | O26 | 179.5° | 179.5° |
| C5 | C14 | S29 | O25 | 128.9° | 3.0° |
| C5 | C14 | C16 | N19 | 1.3° | 0.0° |
| C5 | C14 | S29 | O24 | 1.9° | 129.9° |
| C5 | C14 | C16 | S29 | 178.1° | 180.0° |
| C5 | C14 | C16 | O26 | 179.2° | 180.0° |
| C5 | C14 | S29 | N23 | 122.0° | 116.5° |
| O25 | S29 | O24 | C14 | 118.5° | 123.0° |
| O25 | S29 | O24 | N23 | 121.0° | 122.9° |
| O25 | S29 | C14 | C16 | 49.2° | 177.0° |
| O25 | S29 | C14 | N23 | 109.1° | 113.5° |
| O25 | S29 | N23 | C11 | 166.9° | 45.7° |
| O25 | S29 | N23 | H12 | 71.3° | 134.2° |
| N19 | C16 | C14 | O26 | 179.5° | 180.0° |
| N19 | C16 | C14 | S29 | 179.4° | 179.9° |
| N19 | C16 | O26 | C18 | 4.3° | 0.0° |
| C16 | N19 | C8 | H5 | 179.9° | 180.0° |
| O24 | S29 | C14 | C16 | 176.3° | 50.1° |
| O24 | S29 | C14 | N23 | 123.9° | 113.6° |
| O24 | S29 | N23 | C11 | 37.4° | 178.6° |
| O24 | S29 | N23 | H12 | 159.2° | 1.3° |
| C16 | C14 | S29 | N23 | 59.9° | 63.5° |
| C14 | C16 | O26 | C18 | 175.2° | 180.0° |
| C16 | C14 | C5 | H2 | 179.5° | 179.9° |
| S29 | C14 | C16 | O26 | 1.1° | 0.1° |
| C14 | S29 | N23 | C11 | 82.4° | 67.8° |
| S29 | C14 | C5 | H2 | 1.3° | 0.0° |
| C14 | S29 | N23 | H12 | 39.3° | 112.3° |
| C16 | O26 | C18 | H7 | 180.0° | 60.0° |
| C16 | O26 | C18 | H8 | 60.0° | 60.0° |
| C16 | O26 | C18 | H9 | 60.0° | 180.0° |
| S29 | N23 | C11 | H12 | 121.8° | 179.9° |
| S29 | N23 | C11 | C3 | 5.4° | 35.3° |
| S29 | N23 | C11 | C13 | 175.5° | 144.7° |
| O26 | C18 | H7 | H8 | 120.0° | 120.0° |
| O26 | C18 | H7 | H9 | 120.0° | 120.0° |
| O26 | C18 | H8 | H9 | 120.0° | 120.0° |
| N23 | C11 | C3 | C13 | 179.1° | 180.0° |
| N23 | C11 | C3 | C4 | 179.0° | 180.0° |
| N23 | C11 | C13 | F28 | 1.1° | 0.3° |
| N23 | C11 | C13 | C10 | 178.6° | 179.7° |
| N23 | C11 | C3 | H6 | 1.0° | 0.1° |
| C11 | C3 | C4 | H6 | 180.0° | 179.9° |
| C11 | C3 | C4 | C12 | 0.3° | 0.0° |
| C3 | C11 | C13 | F28 | 179.7° | 179.7° |
| C3 | C11 | C13 | C10 | 0.6° | 0.3° |
| C11 | C3 | C4 | H1 | 179.7° | 179.8° |
| C3 | C11 | N23 | H12 | 116.4° | 144.8° |
| C4 | C3 | C11 | C13 | 0.1° | 0.0° |
| C3 | C4 | C12 | H1 | 180.0° | 179.8° |
| C3 | C4 | C12 | C10 | 0.3° | 0.3° |
| C3 | C4 | C12 | F27 | 179.4° | 179.7° |
| C11 | C13 | F28 | C10 | 179.7° | 180.0° |
| C11 | C13 | C10 | C12 | 0.6° | 0.6° |
| C11 | C13 | C10 | C2 | 178.7° | 180.0° |
| C13 | C11 | C3 | H6 | 179.9° | 180.0° |
| C13 | C11 | N23 | H12 | 62.7° | 35.2° |
| C4 | C12 | C10 | C13 | 0.2° | 0.6° |
| C4 | C12 | C10 | F27 | 179.7° | 180.0° |
| C4 | C12 | C10 | C2 | 179.1° | 180.0° |
| C12 | C4 | C3 | H6 | 179.7° | 180.0° |
| F28 | C13 | C10 | C12 | 179.7° | 179.4° |
| F28 | C13 | C10 | C2 | 1.0° | 0.0° |
| C13 | C10 | C12 | C2 | 179.2° | 179.4° |
| C13 | C10 | C12 | F27 | 179.9° | 179.4° |
| C13 | C10 | C2 | C1 | 64.4° | 137.8° |
| C12 | C10 | C2 | C1 | 114.8° | 41.6° |
| C10 | C12 | C4 | H1 | 179.7° | 179.9° |
| F27 | C12 | C10 | C2 | 0.6° | 0.0° |
| F27 | C12 | C4 | H1 | 0.5° | 0.0° |
| C10 | C2 | C1 | C9 | 155.9° | 178.4° |
| C2 | C1 | C9 | C6 | 47.0° | 136.2° |
| C2 | C1 | C9 | C7 | 132.7° | 43.7° |
| C1 | C9 | C6 | C7 | 179.8° | 180.0° |
| C1 | C9 | C6 | N20 | 179.5° | 180.0° |
| C1 | C9 | C7 | N21 | 179.9° | 180.0° |
| C1 | C9 | C6 | H3 | 0.5° | 0.3° |
| C1 | C9 | C7 | H4 | 0.1° | 0.3° |
| C9 | C6 | N20 | H3 | 180.0° | 179.7° |
| C6 | C9 | C7 | N21 | 0.3° | 0.0° |
| C9 | C6 | N20 | C17 | 0.8° | 0.3° |
| C6 | C9 | C7 | H4 | 179.7° | 179.7° |
| C7 | C9 | C6 | N20 | 0.7° | 0.0° |
| C9 | C7 | N21 | H4 | 180.0° | 179.7° |
| C9 | C7 | N21 | C17 | 0.0° | 0.3° |
| C7 | C9 | C6 | H3 | 179.3° | 179.7° |
| C6 | N20 | C17 | N21 | 0.4° | 0.6° |
| C6 | N20 | C17 | N22 | 179.5° | 180.0° |
| C7 | N21 | C17 | N20 | 0.1° | 0.6° |
| C7 | N21 | C17 | N22 | 179.9° | 180.0° |
| N20 | C17 | N21 | N22 | 179.9° | 179.4° |
| C17 | N20 | C6 | H3 | 179.2° | 180.0° |
| N20 | C17 | N22 | H10 | 0.0° | 0.0° |
| N20 | C17 | N22 | H11 | 120.0° | 180.0° |
| C17 | N21 | C7 | H4 | 180.0° | 180.0° |
| N21 | C17 | N22 | H10 | 180.0° | 179.4° |
| N21 | C17 | N22 | H11 | 59.9° | 0.6° |
| C17 | N22 | H10 | H11 | 120.0° | 180.0° |
| H1 | C4 | C3 | H6 | 0.3° | 0.3° |
| H7 | C18 | H8 | H9 | 120.0° | 120.0° |
