6QG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N22 | O26 | sing | 1.21Å | 1.38Å | Aromatic |
| N22 | C15 | doub | 1.30Å | 1.34Å | Aromatic |
| O26 | C14 | sing | 1.34Å | 1.35Å | Aromatic |
| C21 | C15 | sing | 1.51Å | 1.47Å | |
| C15 | C10 | sing | 1.43Å | 1.42Å | Aromatic |
| C14 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.51Å | 1.46Å | |
| C10 | C9 | sing | 1.48Å | 1.45Å | |
| C18 | O27 | sing | 1.43Å | 1.41Å | |
| C9 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| O27 | C13 | sing | 1.36Å | 1.39Å | |
| C7 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.36Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C16 | sing | 1.51Å | 1.49Å | |
| C5 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | C17 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C17 | N23 | sing | 1.49Å | 1.49Å | |
| C20 | S28 | sing | 1.81Å | 1.78Å | |
| N23 | S28 | sing | 1.67Å | 1.73Å | |
| S28 | O24 | doub | 1.42Å | 1.45Å | |
| S28 | O25 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| N23 | H15 | sing | 0.97Å | 1.00Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| C5 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | N22 | C15 | 104.0° | 111.8° |
| N22 | O26 | C14 | 110.5° | 111.7° |
| N22 | C15 | C21 | 117.0° | 126.1° |
| N22 | C15 | C10 | 113.6° | 106.5° |
| O26 | C14 | C10 | 109.9° | 106.6° |
| O26 | C14 | C18 | 107.2° | 126.0° |
| C21 | C15 | C10 | 129.5° | 127.4° |
| C15 | C21 | H12 | 109.5° | 109.4° |
| C15 | C21 | H13 | 109.5° | 109.4° |
| C15 | C21 | H14 | 109.5° | 109.5° |
| C15 | C10 | C14 | 102.0° | 103.3° |
| C15 | C10 | C9 | 127.9° | 128.2° |
| C10 | C14 | C18 | 142.9° | 127.4° |
| C14 | C10 | C9 | 130.0° | 128.5° |
| C14 | C18 | O27 | 117.1° | 109.2° |
| C14 | C18 | H21 | 107.5° | 109.1° |
| C14 | C18 | H22 | 107.5° | 110.4° |
| C10 | C9 | C3 | 118.6° | 121.8° |
| C10 | C9 | C2 | 122.0° | 119.8° |
| C18 | O27 | C13 | 107.0° | 118.4° |
| O27 | C18 | H21 | 107.5° | 109.1° |
| O27 | C18 | H22 | 107.5° | 109.9° |
| C3 | C9 | C2 | 119.4° | 118.4° |
| C9 | C3 | C6 | 120.4° | 120.9° |
| C9 | C3 | H3 | 119.8° | 119.9° |
| C9 | C2 | C5 | 119.8° | 120.4° |
| C9 | C2 | H2 | 120.1° | 119.9° |
| O27 | C13 | C7 | 127.6° | 120.3° |
| O27 | C13 | C8 | 112.0° | 120.0° |
| C13 | C7 | C1 | 118.5° | 120.0° |
| C7 | C13 | C8 | 120.3° | 119.7° |
| C13 | C7 | H4 | 120.7° | 120.1° |
| C7 | C1 | C4 | 120.6° | 120.0° |
| C7 | C1 | H1 | 119.7° | 120.0° |
| C1 | C7 | H4 | 120.8° | 120.0° |
| C3 | C6 | C11 | 120.7° | 120.1° |
| C6 | C3 | H3 | 119.8° | 119.2° |
| C3 | C6 | H18 | 119.6° | 119.9° |
| C13 | C8 | C12 | 121.7° | 120.1° |
| C13 | C8 | H5 | 119.2° | 119.8° |
| C2 | C5 | C11 | 120.9° | 120.4° |
| C5 | C2 | H2 | 120.1° | 119.8° |
| C2 | C5 | H17 | 119.6° | 119.7° |
| C1 | C4 | C12 | 119.5° | 120.1° |
| C4 | C1 | H1 | 119.7° | 120.0° |
| C1 | C4 | H16 | 120.3° | 120.0° |
| C8 | C12 | C4 | 119.4° | 120.0° |
| C8 | C12 | C16 | 113.9° | 120.3° |
| C12 | C8 | H5 | 119.2° | 120.1° |
| C4 | C12 | C16 | 126.7° | 119.7° |
| C12 | C4 | H16 | 120.2° | 119.9° |
| C6 | C11 | C5 | 118.8° | 119.9° |
| C6 | C11 | C17 | 121.4° | 120.1° |
| C11 | C6 | H18 | 119.7° | 120.0° |
| C12 | C16 | C19 | 109.0° | 109.4° |
| C12 | C16 | H6 | 109.6° | 109.5° |
| C12 | C16 | H7 | 109.6° | 109.6° |
| C5 | C11 | C17 | 119.7° | 120.0° |
| C11 | C5 | H17 | 119.5° | 119.9° |
| C16 | C19 | C20 | 111.1° | 109.6° |
| C19 | C16 | H6 | 109.6° | 109.5° |
| C19 | C16 | H7 | 109.6° | 109.4° |
| C16 | C19 | H8 | 109.1° | 109.4° |
| C16 | C19 | H9 | 109.1° | 109.6° |
| C11 | C17 | N23 | 115.0° | 107.3° |
| C11 | C17 | H19 | 108.1° | 110.2° |
| C11 | C17 | H20 | 108.1° | 109.7° |
| C19 | C20 | S28 | 113.8° | 109.5° |
| C20 | C19 | H8 | 109.0° | 109.4° |
| C20 | C19 | H9 | 109.1° | 109.5° |
| C19 | C20 | H10 | 108.4° | 109.6° |
| C19 | C20 | H11 | 108.4° | 109.5° |
| C17 | N23 | S28 | 122.5° | 115.5° |
| C17 | N23 | H15 | 106.2° | 122.2° |
| N23 | C17 | H19 | 108.1° | 110.3° |
| N23 | C17 | H20 | 108.1° | 109.7° |
| C20 | S28 | N23 | 104.8° | 103.7° |
| C20 | S28 | O24 | 110.0° | 110.6° |
| C20 | S28 | O25 | 104.1° | 110.7° |
| S28 | C20 | H10 | 108.4° | 109.4° |
| S28 | C20 | H11 | 108.4° | 109.5° |
| N23 | S28 | O24 | 109.2° | 104.3° |
| N23 | S28 | O25 | 108.0° | 104.7° |
| S28 | N23 | H15 | 106.1° | 122.3° |
| O24 | S28 | O25 | 119.7° | 121.0° |
| H6 | C16 | H7 | 109.4° | 109.4° |
| H8 | C19 | H9 | 109.5° | 109.4° |
| H10 | C20 | H11 | 109.5° | 109.4° |
| H12 | C21 | H13 | 109.5° | 109.4° |
| H12 | C21 | H14 | 109.4° | 109.6° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.6° |
| H21 | C18 | H22 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | N22 | C15 | C21 | 177.9° | 178.7° |
| O26 | N22 | C15 | C10 | 1.7° | 0.6° |
| N22 | O26 | C14 | C10 | 1.9° | 1.2° |
| N22 | O26 | C14 | C18 | 178.3° | 179.1° |
| C15 | N22 | O26 | C14 | 2.2° | 0.3° |
| N22 | C15 | C21 | C10 | 179.5° | 179.1° |
| N22 | C15 | C10 | C14 | 0.6° | 1.3° |
| N22 | C15 | C10 | C9 | 176.4° | 179.7° |
| N22 | C15 | C21 | H12 | 0.0° | 89.1° |
| N22 | C15 | C21 | H13 | 120.0° | 30.8° |
| N22 | C15 | C21 | H14 | 120.0° | 150.8° |
| O26 | C14 | C10 | C15 | 0.8° | 1.4° |
| O26 | C14 | C10 | C18 | 179.6° | 179.7° |
| O26 | C14 | C10 | C9 | 177.7° | 179.9° |
| O26 | C14 | C18 | O27 | 168.9° | 102.7° |
| O26 | C14 | C18 | H21 | 70.0° | 16.5° |
| O26 | C14 | C18 | H22 | 47.8° | 136.4° |
| C21 | C15 | C10 | C14 | 178.9° | 178.0° |
| C21 | C15 | C10 | C9 | 4.1° | 0.5° |
| C15 | C21 | H12 | H13 | 120.0° | 119.9° |
| C15 | C21 | H12 | H14 | 120.0° | 120.0° |
| C15 | C21 | H13 | H14 | 120.0° | 120.0° |
| C15 | C10 | C14 | C9 | 176.9° | 178.5° |
| C15 | C10 | C14 | C18 | 179.6° | 178.9° |
| C15 | C10 | C9 | C3 | 51.2° | 38.3° |
| C15 | C10 | C9 | C2 | 126.2° | 140.5° |
| C10 | C15 | C21 | H12 | 179.5° | 90.1° |
| C10 | C15 | C21 | H13 | 60.5° | 150.0° |
| C10 | C15 | C21 | H14 | 59.6° | 30.0° |
| C10 | C14 | C18 | O27 | 10.7° | 76.9° |
| C14 | C10 | C9 | C3 | 132.6° | 143.6° |
| C14 | C10 | C9 | C2 | 49.9° | 37.6° |
| C10 | C14 | C18 | H21 | 110.3° | 163.9° |
| C10 | C14 | C18 | H22 | 131.8° | 44.0° |
| C18 | C14 | C10 | C9 | 2.7° | 0.4° |
| C14 | C18 | O27 | H21 | 121.1° | 119.2° |
| C14 | C18 | O27 | H22 | 121.1° | 121.2° |
| C14 | C18 | O27 | C13 | 90.0° | 168.1° |
| C14 | C18 | H21 | H22 | 116.5° | 120.7° |
| C10 | C9 | C3 | C2 | 177.5° | 178.8° |
| C10 | C9 | C3 | C6 | 178.6° | 179.2° |
| C10 | C9 | C2 | C5 | 178.2° | 179.3° |
| C10 | C9 | C2 | H2 | 1.8° | 0.1° |
| C10 | C9 | C3 | H3 | 1.4° | 1.5° |
| C18 | O27 | C13 | C7 | 74.6° | 75.5° |
| C18 | O27 | C13 | C8 | 108.2° | 104.3° |
| O27 | C18 | H21 | H22 | 116.6° | 120.1° |
| C9 | C3 | C6 | H3 | 180.0° | 179.3° |
| C3 | C9 | C2 | C5 | 0.8° | 0.4° |
| C9 | C3 | C6 | C11 | 0.3° | 0.1° |
| C3 | C9 | C2 | H2 | 179.2° | 178.9° |
| C9 | C3 | C6 | H18 | 179.7° | 179.6° |
| C2 | C9 | C3 | C6 | 1.1° | 0.4° |
| C9 | C2 | C5 | H2 | 180.0° | 179.4° |
| C9 | C2 | C5 | C11 | 0.3° | 0.1° |
| C2 | C9 | C3 | H3 | 178.9° | 179.7° |
| C9 | C2 | C5 | H17 | 179.7° | 179.7° |
| O27 | C13 | C7 | C8 | 177.0° | 179.8° |
| O27 | C13 | C7 | C1 | 178.5° | 179.5° |
| O27 | C13 | C8 | C12 | 178.8° | 179.7° |
| O27 | C13 | C7 | H4 | 1.5° | 0.5° |
| O27 | C13 | C8 | H5 | 1.3° | 0.8° |
| C13 | O27 | C18 | H21 | 149.0° | 72.7° |
| C13 | O27 | C18 | H22 | 31.1° | 46.9° |
| C13 | C7 | C1 | H4 | 180.0° | 180.0° |
| C13 | C7 | C1 | C4 | 1.0° | 0.0° |
| C7 | C13 | C8 | C12 | 1.3° | 0.2° |
| C13 | C7 | C1 | H1 | 179.0° | 179.7° |
| C7 | C13 | C8 | H5 | 178.7° | 179.3° |
| C1 | C7 | C13 | C8 | 1.5° | 0.3° |
| C7 | C1 | C4 | H1 | 180.0° | 179.7° |
| C7 | C1 | C4 | C12 | 0.3° | 0.5° |
| C7 | C1 | C4 | H16 | 179.7° | 179.6° |
| C3 | C6 | C11 | H18 | 180.0° | 179.7° |
| C3 | C6 | C11 | C5 | 0.9° | 0.5° |
| C3 | C6 | C11 | C17 | 179.6° | 179.7° |
| C13 | C8 | C12 | H5 | 180.0° | 179.5° |
| C13 | C8 | C12 | C4 | 0.6° | 0.3° |
| C13 | C8 | C12 | C16 | 179.8° | 179.6° |
| C8 | C13 | C7 | H4 | 178.5° | 179.7° |
| C2 | C5 | C11 | C6 | 1.2° | 0.4° |
| C2 | C5 | C11 | H17 | 180.0° | 179.6° |
| C2 | C5 | C11 | C17 | 179.3° | 179.8° |
| C1 | C4 | C12 | C8 | 0.1° | 0.6° |
| C1 | C4 | C12 | H16 | 180.0° | 180.0° |
| C1 | C4 | C12 | C16 | 179.2° | 179.3° |
| C4 | C1 | C7 | H4 | 179.0° | 180.0° |
| C8 | C12 | C4 | C16 | 179.1° | 179.9° |
| C8 | C12 | C16 | C19 | 58.5° | 47.2° |
| C8 | C12 | C16 | H6 | 178.4° | 72.8° |
| C8 | C12 | C16 | H7 | 61.5° | 167.2° |
| C8 | C12 | C4 | H16 | 179.9° | 179.4° |
| C4 | C12 | C16 | C19 | 120.7° | 132.9° |
| C12 | C4 | C1 | H1 | 179.7° | 179.8° |
| C4 | C12 | C8 | H5 | 179.4° | 179.8° |
| C4 | C12 | C16 | H6 | 0.7° | 107.1° |
| C4 | C12 | C16 | H7 | 119.4° | 12.9° |
| C6 | C11 | C5 | C17 | 179.5° | 179.8° |
| C6 | C11 | C17 | N23 | 40.2° | 89.7° |
| C11 | C6 | C3 | H3 | 179.8° | 179.3° |
| C6 | C11 | C5 | H17 | 178.8° | 179.3° |
| C6 | C11 | C17 | H19 | 80.6° | 150.2° |
| C6 | C11 | C17 | H20 | 161.1° | 29.5° |
| C12 | C16 | C19 | H6 | 120.0° | 120.0° |
| C12 | C16 | C19 | H7 | 119.9° | 120.0° |
| C12 | C16 | C19 | C20 | 164.4° | 105.8° |
| C16 | C12 | C8 | H5 | 0.2° | 0.1° |
| C12 | C16 | H6 | H7 | 120.2° | 120.1° |
| C12 | C16 | C19 | H8 | 44.2° | 134.3° |
| C12 | C16 | C19 | H9 | 75.3° | 14.4° |
| C16 | C12 | C4 | H16 | 0.8° | 0.7° |
| C5 | C11 | C17 | N23 | 140.3° | 90.5° |
| C11 | C5 | C2 | H2 | 179.7° | 179.3° |
| C5 | C11 | C6 | H18 | 179.1° | 179.3° |
| C5 | C11 | C17 | H19 | 98.9° | 29.7° |
| C5 | C11 | C17 | H20 | 19.4° | 150.4° |
| C16 | C19 | C20 | H8 | 120.3° | 119.9° |
| C16 | C19 | C20 | H9 | 120.3° | 120.2° |
| C16 | C19 | C20 | S28 | 173.6° | 165.0° |
| C19 | C16 | H6 | H7 | 120.2° | 119.9° |
| C16 | C19 | H8 | H9 | 119.3° | 120.0° |
| C16 | C19 | C20 | H10 | 65.8° | 75.0° |
| C16 | C19 | C20 | H11 | 52.9° | 45.0° |
| C11 | C17 | N23 | H19 | 120.8° | 120.0° |
| C11 | C17 | N23 | H20 | 120.8° | 119.2° |
| C11 | C17 | N23 | S28 | 68.6° | 90.2° |
| C11 | C17 | N23 | H15 | 53.2° | 89.7° |
| C17 | C11 | C5 | H17 | 0.7° | 0.6° |
| C17 | C11 | C6 | H18 | 0.4° | 0.6° |
| C11 | C17 | H19 | H20 | 117.5° | 120.8° |
| C19 | C20 | S28 | H10 | 120.6° | 120.1° |
| C19 | C20 | S28 | H11 | 120.6° | 120.1° |
| C19 | C20 | S28 | N23 | 120.7° | 148.4° |
| C19 | C20 | S28 | O24 | 3.4° | 100.4° |
| C19 | C20 | S28 | O25 | 126.0° | 36.5° |
| C20 | C19 | C16 | H6 | 75.6° | 14.2° |
| C20 | C19 | C16 | H7 | 44.5° | 134.1° |
| C20 | C19 | H8 | H9 | 119.2° | 120.0° |
| C19 | C20 | H10 | H11 | 118.0° | 120.0° |
| C17 | N23 | S28 | C20 | 91.0° | 117.3° |
| C17 | N23 | S28 | H15 | 121.8° | 179.9° |
| C17 | N23 | S28 | O24 | 26.9° | 126.8° |
| C17 | N23 | S28 | O25 | 158.5° | 1.2° |
| N23 | C17 | H19 | H20 | 117.5° | 120.9° |
| C20 | S28 | N23 | O24 | 117.8° | 115.8° |
| C20 | S28 | N23 | O25 | 110.5° | 116.2° |
| C20 | S28 | O24 | O25 | 120.4° | 131.8° |
| S28 | C20 | C19 | H8 | 53.3° | 45.1° |
| S28 | C20 | C19 | H9 | 66.1° | 74.8° |
| S28 | C20 | H10 | H11 | 118.0° | 119.9° |
| C20 | S28 | N23 | H15 | 30.9° | 62.6° |
| N23 | S28 | O24 | O25 | 125.1° | 117.3° |
| N23 | S28 | C20 | H10 | 118.7° | 28.3° |
| N23 | S28 | C20 | H11 | 0.1° | 91.6° |
| S28 | N23 | C17 | H19 | 170.6° | 29.8° |
| S28 | N23 | C17 | H20 | 52.2° | 150.7° |
| O24 | S28 | C20 | H10 | 124.1° | 139.6° |
| O24 | S28 | C20 | H11 | 117.2° | 19.7° |
| O24 | S28 | N23 | H15 | 148.7° | 53.2° |
| O25 | S28 | C20 | H10 | 5.4° | 83.6° |
| O25 | S28 | C20 | H11 | 113.4° | 156.6° |
| O25 | S28 | N23 | H15 | 79.7° | 178.7° |
| H1 | C1 | C7 | H4 | 1.0° | 0.3° |
| H1 | C1 | C4 | H16 | 0.3° | 0.2° |
| H2 | C2 | C5 | H17 | 0.3° | 0.3° |
| H3 | C3 | C6 | H18 | 0.2° | 1.0° |
| H6 | C16 | C19 | H8 | 164.2° | 105.6° |
| H6 | C16 | C19 | H9 | 44.6° | 134.4° |
| H7 | C16 | C19 | H8 | 75.7° | 14.3° |
| H7 | C16 | C19 | H9 | 164.7° | 105.7° |
| H8 | C19 | C20 | H10 | 174.0° | 165.1° |
| H8 | C19 | C20 | H11 | 67.3° | 74.9° |
| H9 | C19 | C20 | H10 | 54.5° | 45.3° |
| H9 | C19 | C20 | H11 | 173.2° | 165.2° |
| H12 | C21 | H13 | H14 | 120.0° | 120.1° |
| H15 | N23 | C17 | H19 | 67.6° | 150.3° |
| H15 | N23 | C17 | H20 | 174.0° | 29.4° |
