QYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | S35 | doub | 1.42Å | 1.45Å | |
| O30 | S35 | doub | 1.42Å | 1.45Å | |
| S35 | C23 | sing | 1.81Å | 1.77Å | |
| S35 | C14 | sing | 1.76Å | 1.78Å | |
| C5 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | N26 | sing | 1.46Å | 1.44Å | |
| N26 | C17 | sing | 1.36Å | 1.40Å | |
| N26 | C19 | sing | 1.34Å | 1.39Å | |
| C17 | C18 | doub | 1.36Å | 1.34Å | |
| O28 | C19 | doub | 1.22Å | 1.22Å | |
| C19 | C15 | sing | 1.41Å | 1.41Å | |
| C4 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C18 | sing | 1.48Å | 1.47Å | |
| C8 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C18 | C9 | sing | 1.47Å | 1.41Å | |
| C15 | C9 | doub | 1.40Å | 1.37Å | Aromatic |
| C15 | N25 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| N25 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C16 | C20 | sing | 1.47Å | 1.43Å | |
| C20 | O29 | doub | 1.22Å | 1.22Å | |
| C20 | N27 | sing | 1.35Å | 1.37Å | |
| C24 | N27 | sing | 1.46Å | 1.44Å | |
| C24 | C21 | sing | 1.53Å | 1.51Å | |
| C10 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O32 | sing | 1.36Å | 1.38Å | |
| O32 | C11 | sing | 1.36Å | 1.38Å | |
| C1 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | F34 | sing | 1.35Å | 1.34Å | |
| C13 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | F33 | sing | 1.35Å | 1.34Å | |
| 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 | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| N25 | H20 | sing | 0.97Å | 1.00Å | |
| N27 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | S35 | O30 | 122.9° | 121.1° |
| O31 | S35 | C23 | 106.2° | 110.5° |
| O31 | S35 | C14 | 108.4° | 104.3° |
| O30 | S35 | C23 | 109.7° | 110.5° |
| O30 | S35 | C14 | 104.7° | 104.3° |
| C23 | S35 | C14 | 103.2° | 104.4° |
| S35 | C23 | H17 | 109.5° | 109.4° |
| S35 | C23 | H18 | 109.4° | 109.5° |
| S35 | C23 | H19 | 109.5° | 109.5° |
| S35 | C14 | C5 | 118.8° | 119.9° |
| S35 | C14 | C4 | 118.7° | 119.9° |
| C14 | C5 | C8 | 118.2° | 120.0° |
| C5 | C14 | C4 | 122.5° | 120.2° |
| C14 | C5 | H2 | 120.9° | 120.0° |
| C5 | C8 | C18 | 120.2° | 120.1° |
| C5 | C8 | C10 | 119.5° | 119.7° |
| C8 | C5 | H2 | 120.9° | 120.0° |
| C14 | C4 | C2 | 119.1° | 120.3° |
| C14 | C4 | H1 | 120.5° | 119.9° |
| C22 | N26 | C17 | 118.6° | 118.8° |
| C22 | N26 | C19 | 117.2° | 118.9° |
| N26 | C22 | H9 | 109.5° | 109.5° |
| N26 | C22 | H10 | 109.5° | 109.5° |
| N26 | C22 | H11 | 109.5° | 109.5° |
| C17 | N26 | C19 | 124.2° | 122.3° |
| N26 | C17 | C18 | 121.3° | 121.1° |
| N26 | C17 | H5 | 119.3° | 119.4° |
| N26 | C19 | O28 | 124.7° | 119.7° |
| N26 | C19 | C15 | 112.5° | 120.6° |
| C17 | C18 | C8 | 120.8° | 120.6° |
| C17 | C18 | C9 | 117.3° | 118.8° |
| C18 | C17 | H5 | 119.3° | 119.5° |
| O28 | C19 | C15 | 122.8° | 119.7° |
| C19 | C15 | C9 | 123.8° | 118.8° |
| C19 | C15 | N25 | 129.1° | 133.8° |
| C4 | C2 | C10 | 118.6° | 120.0° |
| C2 | C4 | H1 | 120.5° | 119.8° |
| C4 | C2 | H15 | 120.7° | 120.0° |
| C18 | C8 | C10 | 120.2° | 120.1° |
| C8 | C18 | C9 | 122.0° | 120.6° |
| C8 | C10 | C2 | 122.1° | 119.8° |
| C8 | C10 | O32 | 114.1° | 120.1° |
| C18 | C9 | C15 | 120.9° | 118.5° |
| C18 | C9 | C6 | 130.8° | 134.3° |
| C9 | C15 | N25 | 107.1° | 107.5° |
| C15 | C9 | C6 | 108.3° | 107.2° |
| C15 | N25 | C16 | 110.0° | 108.8° |
| C15 | N25 | H20 | 125.0° | 125.6° |
| C9 | C6 | C16 | 107.2° | 107.6° |
| C9 | C6 | H3 | 126.4° | 126.2° |
| N25 | C16 | C6 | 107.4° | 108.9° |
| N25 | C16 | C20 | 126.6° | 125.5° |
| C16 | N25 | H20 | 125.0° | 125.6° |
| C6 | C16 | C20 | 125.9° | 125.6° |
| C16 | C6 | H3 | 126.4° | 126.2° |
| C16 | C20 | O29 | 121.6° | 120.0° |
| C16 | C20 | N27 | 114.9° | 120.0° |
| O29 | C20 | N27 | 123.4° | 120.0° |
| C20 | N27 | C24 | 119.8° | 120.0° |
| C20 | N27 | H21 | 120.1° | 120.0° |
| N27 | C24 | C21 | 111.7° | 109.5° |
| N27 | C24 | H12 | 108.9° | 109.5° |
| N27 | C24 | H13 | 108.9° | 109.5° |
| C24 | N27 | H21 | 120.1° | 120.0° |
| C24 | C21 | H6 | 109.5° | 109.5° |
| C24 | C21 | H7 | 109.5° | 109.5° |
| C24 | C21 | H8 | 109.5° | 109.5° |
| C21 | C24 | H12 | 108.9° | 109.4° |
| C21 | C24 | H13 | 108.9° | 109.5° |
| C2 | C10 | O32 | 123.8° | 120.1° |
| C10 | C2 | H15 | 120.7° | 120.0° |
| C10 | O32 | C11 | 126.1° | 118.0° |
| O32 | C11 | C1 | 119.3° | 120.0° |
| O32 | C11 | C13 | 119.6° | 120.1° |
| C11 | C1 | C3 | 118.4° | 120.0° |
| C1 | C11 | C13 | 120.7° | 119.9° |
| C11 | C1 | H14 | 120.8° | 120.0° |
| C1 | C3 | C12 | 120.1° | 120.1° |
| C3 | C1 | H14 | 120.8° | 120.0° |
| C1 | C3 | H16 | 120.0° | 120.0° |
| C11 | C13 | F34 | 121.8° | 120.1° |
| C11 | C13 | C7 | 121.0° | 119.9° |
| C3 | C12 | C7 | 122.2° | 120.1° |
| C3 | C12 | F33 | 118.3° | 120.0° |
| C12 | C3 | H16 | 119.9° | 119.9° |
| F34 | C13 | C7 | 117.2° | 120.0° |
| C13 | C7 | C12 | 117.5° | 120.0° |
| C13 | C7 | H4 | 121.2° | 120.0° |
| C7 | C12 | F33 | 119.5° | 119.9° |
| C12 | C7 | H4 | 121.2° | 120.0° |
| H6 | C21 | H7 | 109.4° | 109.4° |
| H6 | C21 | H8 | 109.4° | 109.4° |
| H7 | C21 | H8 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H11 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.4° |
| H17 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | S35 | O30 | C23 | 125.8° | 131.5° |
| O31 | S35 | O30 | C14 | 124.0° | 116.8° |
| O31 | S35 | C23 | C14 | 114.0° | 111.6° |
| O31 | S35 | C14 | C5 | 15.9° | 26.1° |
| O31 | S35 | C14 | C4 | 164.1° | 154.0° |
| O31 | S35 | C23 | H17 | 180.0° | 68.3° |
| O31 | S35 | C23 | H18 | 60.0° | 51.6° |
| O31 | S35 | C23 | H19 | 60.0° | 171.6° |
| O30 | S35 | C23 | C14 | 111.2° | 111.6° |
| O30 | S35 | C14 | C5 | 148.7° | 154.0° |
| O30 | S35 | C14 | C4 | 31.3° | 26.1° |
| O30 | S35 | C23 | H17 | 45.1° | 68.5° |
| O30 | S35 | C23 | H18 | 74.9° | 171.7° |
| O30 | S35 | C23 | H19 | 165.1° | 51.6° |
| C23 | S35 | C14 | C5 | 96.4° | 90.0° |
| C23 | S35 | C14 | C4 | 83.5° | 90.0° |
| S35 | C23 | H17 | H18 | 120.0° | 119.9° |
| S35 | C23 | H17 | H19 | 120.0° | 120.0° |
| S35 | C23 | H18 | H19 | 120.0° | 120.1° |
| S35 | C14 | C5 | C4 | 180.0° | 180.0° |
| S35 | C14 | C5 | C8 | 179.3° | 180.0° |
| S35 | C14 | C4 | C2 | 178.5° | 180.0° |
| S35 | C14 | C4 | H1 | 1.5° | 0.3° |
| S35 | C14 | C5 | H2 | 0.7° | 0.0° |
| C14 | S35 | C23 | H17 | 66.0° | 180.0° |
| C14 | S35 | C23 | H18 | 174.0° | 60.1° |
| C14 | S35 | C23 | H19 | 54.0° | 60.0° |
| C14 | C5 | C8 | H2 | 180.0° | 180.0° |
| C5 | C14 | C4 | C2 | 1.4° | 0.0° |
| C14 | C5 | C8 | C18 | 176.5° | 180.0° |
| C14 | C5 | C8 | C10 | 0.6° | 0.3° |
| C5 | C14 | C4 | H1 | 178.6° | 179.7° |
| C8 | C5 | C14 | C4 | 0.7° | 0.1° |
| C5 | C8 | C18 | C17 | 58.9° | 105.0° |
| C5 | C8 | C18 | C10 | 177.1° | 179.8° |
| C5 | C8 | C18 | C9 | 118.7° | 75.0° |
| C5 | C8 | C10 | C2 | 1.2° | 0.6° |
| C5 | C8 | C10 | O32 | 177.9° | 180.0° |
| C14 | C4 | C2 | H1 | 180.0° | 179.7° |
| C14 | C4 | C2 | C10 | 0.8° | 0.3° |
| C4 | C14 | C5 | H2 | 179.3° | 180.0° |
| C14 | C4 | C2 | H15 | 179.2° | 179.7° |
| C22 | N26 | C17 | C19 | 180.0° | 180.0° |
| C22 | N26 | C17 | C18 | 178.2° | 180.0° |
| C22 | N26 | C19 | O28 | 1.7° | 0.0° |
| C22 | N26 | C19 | C15 | 178.8° | 180.0° |
| C22 | N26 | C17 | H5 | 1.9° | 0.0° |
| N26 | C22 | H9 | H10 | 120.0° | 120.0° |
| N26 | C22 | H9 | H11 | 120.0° | 120.0° |
| N26 | C22 | H10 | H11 | 120.0° | 120.0° |
| N26 | C17 | C18 | H5 | 180.0° | 180.0° |
| C17 | N26 | C19 | O28 | 178.3° | 180.0° |
| C17 | N26 | C19 | C15 | 1.3° | 0.0° |
| N26 | C17 | C18 | C8 | 179.3° | 180.0° |
| N26 | C17 | C18 | C9 | 1.5° | 0.0° |
| C17 | N26 | C22 | H9 | 180.0° | 90.0° |
| C17 | N26 | C22 | H10 | 60.0° | 150.0° |
| C17 | N26 | C22 | H11 | 60.0° | 30.0° |
| C19 | N26 | C17 | C18 | 1.9° | 0.0° |
| N26 | C19 | O28 | C15 | 179.5° | 180.0° |
| N26 | C19 | C15 | C9 | 0.6° | 0.0° |
| N26 | C19 | C15 | N25 | 179.9° | 179.7° |
| C19 | N26 | C17 | H5 | 178.1° | 180.0° |
| C19 | N26 | C22 | H9 | 0.0° | 90.0° |
| C19 | N26 | C22 | H10 | 120.0° | 30.0° |
| C19 | N26 | C22 | H11 | 120.0° | 150.0° |
| C17 | C18 | C8 | C9 | 177.6° | 179.9° |
| C17 | C18 | C8 | C10 | 124.0° | 74.7° |
| C17 | C18 | C9 | C15 | 0.9° | 0.0° |
| C17 | C18 | C9 | C6 | 178.2° | 180.0° |
| O28 | C19 | C15 | C9 | 179.0° | 180.0° |
| O28 | C19 | C15 | N25 | 0.5° | 0.3° |
| C19 | C15 | C9 | C18 | 0.4° | 0.0° |
| C19 | C15 | C9 | N25 | 179.6° | 179.8° |
| C19 | C15 | C9 | C6 | 178.8° | 180.0° |
| C19 | C15 | N25 | C16 | 179.1° | 179.9° |
| C19 | C15 | N25 | H20 | 0.9° | 0.3° |
| C4 | C2 | C10 | C8 | 0.5° | 0.6° |
| C4 | C2 | C10 | H15 | 180.0° | 180.0° |
| C4 | C2 | C10 | O32 | 178.5° | 180.0° |
| C8 | C18 | C9 | C15 | 178.5° | 180.0° |
| C8 | C18 | C9 | C6 | 0.5° | 0.0° |
| C18 | C8 | C10 | C2 | 175.9° | 179.6° |
| C18 | C8 | C10 | O32 | 5.0° | 0.3° |
| C18 | C8 | C5 | H2 | 3.5° | 0.0° |
| C8 | C18 | C17 | H5 | 0.7° | 0.0° |
| C10 | C8 | C18 | C9 | 58.3° | 105.2° |
| C8 | C10 | C2 | O32 | 179.0° | 179.4° |
| C8 | C10 | O32 | C11 | 170.0° | 174.1° |
| C10 | C8 | C5 | H2 | 179.4° | 179.7° |
| C8 | C10 | C2 | H15 | 179.5° | 179.4° |
| C18 | C9 | C15 | C6 | 179.2° | 180.0° |
| C18 | C9 | C15 | N25 | 180.0° | 179.7° |
| C18 | C9 | C6 | C16 | 179.9° | 180.0° |
| C18 | C9 | C6 | H3 | 0.1° | 0.3° |
| C9 | C18 | C17 | H5 | 178.4° | 180.0° |
| C9 | C15 | N25 | C16 | 0.5° | 0.4° |
| C15 | C9 | C6 | C16 | 0.8° | 0.0° |
| C15 | C9 | C6 | H3 | 179.2° | 179.8° |
| C9 | C15 | N25 | H20 | 179.5° | 180.0° |
| N25 | C15 | C9 | C6 | 0.8° | 0.2° |
| C15 | N25 | C16 | H20 | 180.0° | 179.7° |
| C15 | N25 | C16 | C6 | 0.0° | 0.4° |
| C15 | N25 | C16 | C20 | 177.3° | 179.6° |
| C9 | C6 | C16 | N25 | 0.5° | 0.2° |
| C9 | C6 | C16 | H3 | 180.0° | 179.8° |
| C9 | C6 | C16 | C20 | 177.8° | 179.7° |
| N25 | C16 | C6 | C20 | 177.3° | 179.9° |
| N25 | C16 | C20 | O29 | 175.7° | 180.0° |
| N25 | C16 | C20 | N27 | 2.7° | 0.0° |
| N25 | C16 | C6 | H3 | 179.5° | 180.0° |
| C6 | C16 | C20 | O29 | 1.1° | 0.0° |
| C6 | C16 | C20 | N27 | 179.4° | 180.0° |
| C6 | C16 | N25 | H20 | 180.0° | 180.0° |
| C16 | C20 | O29 | N27 | 178.2° | 180.0° |
| C16 | C20 | N27 | C24 | 175.6° | 180.0° |
| C20 | C16 | C6 | H3 | 2.2° | 0.0° |
| C20 | C16 | N25 | H20 | 2.7° | 0.1° |
| C16 | C20 | N27 | H21 | 4.4° | 0.0° |
| O29 | C20 | N27 | C24 | 2.7° | 0.0° |
| O29 | C20 | N27 | H21 | 177.3° | 180.0° |
| C20 | N27 | C24 | H21 | 180.0° | 179.9° |
| C20 | N27 | C24 | C21 | 107.5° | 180.0° |
| C20 | N27 | C24 | H12 | 132.1° | 60.0° |
| C20 | N27 | C24 | H13 | 12.8° | 60.0° |
| N27 | C24 | C21 | H12 | 120.3° | 120.0° |
| N27 | C24 | C21 | H13 | 120.3° | 120.0° |
| N27 | C24 | C21 | H6 | 180.0° | 60.0° |
| N27 | C24 | C21 | H7 | 60.0° | 60.0° |
| N27 | C24 | C21 | H8 | 60.0° | 180.0° |
| N27 | C24 | H12 | H13 | 119.0° | 120.0° |
| C24 | C21 | H6 | H7 | 120.0° | 120.0° |
| C24 | C21 | H6 | H8 | 120.0° | 120.1° |
| C24 | C21 | H7 | H8 | 120.0° | 120.1° |
| C21 | C24 | H12 | H13 | 119.0° | 120.0° |
| C21 | C24 | N27 | H21 | 72.4° | 0.0° |
| C2 | C10 | O32 | C11 | 10.9° | 5.3° |
| C10 | C2 | C4 | H1 | 179.2° | 180.0° |
| C10 | O32 | C11 | C1 | 68.2° | 94.4° |
| C10 | O32 | C11 | C13 | 118.9° | 85.6° |
| O32 | C10 | C2 | H15 | 1.5° | 0.0° |
| O32 | C11 | C1 | C13 | 172.8° | 179.9° |
| O32 | C11 | C1 | C3 | 173.9° | 179.7° |
| O32 | C11 | C13 | F34 | 5.0° | 0.1° |
| O32 | C11 | C13 | C7 | 175.7° | 180.0° |
| O32 | C11 | C1 | H14 | 6.1° | 0.0° |
| C11 | C1 | C3 | H14 | 180.0° | 179.8° |
| C11 | C1 | C3 | C12 | 0.1° | 0.2° |
| C1 | C11 | C13 | F34 | 177.8° | 180.0° |
| C1 | C11 | C13 | C7 | 2.9° | 0.1° |
| C11 | C1 | C3 | H16 | 179.9° | 180.0° |
| C3 | C1 | C11 | C13 | 1.1° | 0.2° |
| C1 | C3 | C12 | H16 | 180.0° | 179.8° |
| C1 | C3 | C12 | C7 | 0.9° | 0.0° |
| C1 | C3 | C12 | F33 | 179.2° | 179.9° |
| C11 | C13 | F34 | C7 | 179.3° | 179.9° |
| C11 | C13 | C7 | C12 | 3.5° | 0.3° |
| C11 | C13 | C7 | H4 | 176.5° | 180.0° |
| C13 | C11 | C1 | H14 | 178.9° | 180.0° |
| C3 | C12 | C7 | C13 | 2.6° | 0.3° |
| C3 | C12 | C7 | F33 | 178.3° | 179.9° |
| C3 | C12 | C7 | H4 | 177.5° | 179.9° |
| C12 | C3 | C1 | H14 | 179.9° | 180.0° |
| F34 | C13 | C7 | C12 | 177.2° | 179.8° |
| F34 | C13 | C7 | H4 | 2.8° | 0.1° |
| C13 | C7 | C12 | H4 | 180.0° | 179.7° |
| C13 | C7 | C12 | F33 | 179.1° | 179.7° |
| C7 | C12 | C3 | H16 | 179.1° | 179.8° |
| F33 | C12 | C7 | H4 | 0.9° | 0.0° |
| F33 | C12 | C3 | H16 | 0.7° | 0.3° |
| H1 | C4 | C2 | H15 | 0.8° | 0.0° |
| H6 | C21 | H7 | H8 | 119.9° | 119.9° |
| H6 | C21 | C24 | H12 | 59.7° | 60.0° |
| H6 | C21 | C24 | H13 | 59.7° | 180.0° |
| H7 | C21 | C24 | H12 | 179.7° | 180.0° |
| H7 | C21 | C24 | H13 | 60.3° | 60.1° |
| H8 | C21 | C24 | H12 | 60.3° | 60.0° |
| H8 | C21 | C24 | H13 | 179.7° | 59.9° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C24 | N27 | H21 | 47.9° | 120.0° |
| H13 | C24 | N27 | H21 | 167.2° | 120.1° |
| H14 | C1 | C3 | H16 | 0.1° | 0.2° |
| H17 | C23 | H18 | H19 | 120.0° | 120.0° |
