6RL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| O27 | C26 | doub | 1.22Å | 1.23Å | |
| F20 | C19 | sing | 1.35Å | 1.35Å | |
| N2 | C26 | sing | 1.35Å | 1.36Å | |
| N2 | C3 | sing | 1.35Å | 1.36Å | |
| C26 | N15 | sing | 1.35Å | 1.35Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| O4 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | C5 | sing | 1.40Å | 1.40Å | |
| N15 | C16 | sing | 1.46Å | 1.48Å | |
| N15 | C6 | sing | 1.37Å | 1.38Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.38Å | |
| C6 | N7 | sing | 1.37Å | 1.37Å | |
| C23 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.43Å | 1.44Å | |
| C8 | N7 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| N7 | C14 | sing | 1.47Å | 1.48Å | |
| C24 | N25 | trip | 1.14Å | 1.14Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C14 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | N13 | sing | 1.47Å | 1.48Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| N13 | H14 | sing | 1.01Å | 1.00Å | |
| N13 | H15 | sing | 1.01Å | 1.00Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C26 | 121.1° | 119.7° |
| C1 | N2 | C3 | 118.7° | 119.7° |
| N2 | C1 | H8 | 109.5° | 109.4° |
| N2 | C1 | H9 | 109.5° | 109.4° |
| N2 | C1 | H10 | 109.5° | 109.5° |
| O27 | C26 | N2 | 120.2° | 119.5° |
| O27 | C26 | N15 | 118.8° | 119.5° |
| F20 | C19 | C18 | 119.3° | 119.8° |
| F20 | C19 | C21 | 119.0° | 119.9° |
| C26 | N2 | C3 | 120.2° | 120.6° |
| N2 | C26 | N15 | 120.9° | 121.0° |
| N2 | C3 | O4 | 119.8° | 120.2° |
| N2 | C3 | C5 | 120.2° | 119.6° |
| C26 | N15 | C16 | 119.7° | 119.8° |
| C26 | N15 | C6 | 120.3° | 120.4° |
| C19 | C18 | C17 | 119.9° | 120.1° |
| C18 | C19 | C21 | 121.7° | 120.3° |
| C19 | C18 | H21 | 120.1° | 120.0° |
| C18 | C17 | C16 | 117.1° | 120.0° |
| C18 | C17 | C23 | 119.1° | 119.8° |
| C17 | C18 | H21 | 120.1° | 120.0° |
| C19 | C21 | C22 | 119.5° | 120.1° |
| C19 | C21 | H6 | 120.3° | 119.9° |
| O4 | C3 | C5 | 120.0° | 120.2° |
| C3 | C5 | C6 | 118.7° | 119.1° |
| C3 | C5 | H1 | 120.6° | 120.4° |
| C16 | N15 | C6 | 119.9° | 119.8° |
| N15 | C16 | C17 | 113.8° | 109.5° |
| N15 | C16 | H19 | 108.4° | 109.5° |
| N15 | C16 | H20 | 108.4° | 109.5° |
| N15 | C6 | C5 | 119.6° | 119.4° |
| N15 | C6 | N7 | 119.4° | 120.3° |
| C16 | C17 | C23 | 123.8° | 120.1° |
| C17 | C16 | H19 | 108.4° | 109.5° |
| C17 | C16 | H20 | 108.4° | 109.5° |
| C17 | C23 | C22 | 120.2° | 119.8° |
| C17 | C23 | C24 | 123.4° | 120.1° |
| C21 | C22 | C23 | 119.7° | 119.9° |
| C22 | C21 | H6 | 120.2° | 120.0° |
| C21 | C22 | H7 | 120.1° | 120.0° |
| C5 | C6 | N7 | 121.0° | 120.3° |
| C6 | C5 | H1 | 120.7° | 120.5° |
| C6 | N7 | C8 | 112.2° | 120.7° |
| C6 | N7 | C14 | 116.6° | 120.6° |
| C22 | C23 | C24 | 116.4° | 120.1° |
| C23 | C22 | H7 | 120.2° | 120.1° |
| C23 | C24 | N25 | 176.9° | 179.9° |
| N7 | C8 | C9 | 107.9° | 108.8° |
| C8 | N7 | C14 | 111.6° | 118.7° |
| N7 | C8 | H2 | 109.9° | 109.6° |
| N7 | C8 | H3 | 109.8° | 109.6° |
| C8 | C9 | C10 | 107.5° | 109.3° |
| C9 | C8 | H2 | 109.8° | 109.6° |
| C9 | C8 | H3 | 109.9° | 109.6° |
| C8 | C9 | H11 | 110.0° | 109.6° |
| C8 | C9 | H12 | 110.0° | 109.5° |
| N7 | C14 | C11 | 108.2° | 108.8° |
| N7 | C14 | H17 | 109.8° | 109.6° |
| N7 | C14 | H18 | 109.8° | 109.6° |
| C9 | C10 | C11 | 109.2° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C9 | C10 | H5 | 109.5° | 109.4° |
| C10 | C9 | H11 | 110.0° | 109.5° |
| C10 | C9 | H12 | 110.0° | 109.5° |
| C14 | C11 | C10 | 109.1° | 109.3° |
| C14 | C11 | N13 | 110.4° | 109.5° |
| C14 | C11 | H13 | 109.0° | 109.5° |
| C11 | C14 | H17 | 109.8° | 109.5° |
| C11 | C14 | H18 | 109.8° | 109.5° |
| C10 | C11 | N13 | 109.4° | 109.5° |
| C11 | C10 | H4 | 109.6° | 109.5° |
| C11 | C10 | H5 | 109.5° | 109.4° |
| C10 | C11 | H13 | 109.1° | 109.5° |
| N13 | C11 | H13 | 109.9° | 109.5° |
| C11 | N13 | H14 | 109.5° | 111.0° |
| C11 | N13 | H15 | 109.5° | 111.0° |
| H2 | C8 | H3 | 109.5° | 109.7° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H14 | N13 | H15 | 109.5° | 111.0° |
| H17 | C14 | H18 | 109.5° | 109.7° |
| H19 | C16 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C26 | O27 | 0.6° | 0.0° |
| C1 | N2 | C26 | C3 | 179.8° | 179.3° |
| C1 | N2 | C26 | N15 | 179.8° | 179.9° |
| C1 | N2 | C3 | O4 | 0.3° | 0.2° |
| C1 | N2 | C3 | C5 | 179.0° | 179.7° |
| N2 | C1 | H8 | H9 | 120.0° | 119.9° |
| N2 | C1 | H8 | H10 | 120.0° | 120.0° |
| N2 | C1 | H9 | H10 | 120.0° | 120.0° |
| O27 | C26 | N2 | N15 | 179.2° | 179.9° |
| O27 | C26 | N2 | C3 | 179.6° | 179.3° |
| O27 | C26 | N15 | C16 | 0.7° | 0.0° |
| O27 | C26 | N15 | C6 | 179.0° | 179.5° |
| F20 | C19 | C18 | C21 | 179.8° | 180.0° |
| F20 | C19 | C18 | C17 | 179.8° | 180.0° |
| F20 | C19 | C21 | C22 | 179.4° | 179.7° |
| F20 | C19 | C21 | H6 | 0.6° | 0.2° |
| F20 | C19 | C18 | H21 | 0.2° | 0.1° |
| C26 | N2 | C3 | O4 | 180.0° | 179.5° |
| C26 | N2 | C3 | C5 | 0.8° | 0.4° |
| N2 | C26 | N15 | C16 | 179.9° | 180.0° |
| N2 | C26 | N15 | C6 | 1.9° | 0.6° |
| C26 | N2 | C1 | H8 | 180.0° | 90.0° |
| C26 | N2 | C1 | H9 | 60.0° | 150.0° |
| C26 | N2 | C1 | H10 | 60.0° | 30.0° |
| C3 | N2 | C26 | N15 | 0.5° | 0.8° |
| N2 | C3 | O4 | C5 | 179.2° | 179.9° |
| N2 | C3 | C5 | C6 | 0.6° | 0.1° |
| N2 | C3 | C5 | H1 | 179.3° | 179.7° |
| C3 | N2 | C1 | H8 | 0.2° | 90.7° |
| C3 | N2 | C1 | H9 | 120.3° | 29.3° |
| C3 | N2 | C1 | H10 | 119.8° | 149.3° |
| C26 | N15 | C16 | C6 | 178.3° | 179.5° |
| C26 | N15 | C16 | C17 | 57.1° | 95.8° |
| C26 | N15 | C6 | C5 | 2.0° | 0.0° |
| C26 | N15 | C6 | N7 | 177.0° | 180.0° |
| C26 | N15 | C16 | H19 | 177.7° | 144.1° |
| C26 | N15 | C16 | H20 | 63.6° | 24.2° |
| C19 | C18 | C17 | H21 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 179.1° | 179.7° |
| C19 | C18 | C17 | C23 | 1.0° | 0.0° |
| C18 | C19 | C21 | C22 | 0.7° | 0.3° |
| C18 | C19 | C21 | H6 | 179.3° | 179.8° |
| C17 | C18 | C19 | C21 | 0.0° | 0.0° |
| C18 | C17 | C16 | N15 | 130.8° | 97.6° |
| C18 | C17 | C16 | C23 | 178.0° | 179.7° |
| C18 | C17 | C23 | C22 | 1.1° | 0.3° |
| C18 | C17 | C23 | C24 | 179.0° | 179.7° |
| C18 | C17 | C16 | H19 | 108.5° | 22.4° |
| C18 | C17 | C16 | H20 | 10.2° | 142.4° |
| C19 | C21 | C22 | H6 | 180.0° | 179.5° |
| C19 | C21 | C22 | C23 | 0.6° | 0.5° |
| C19 | C21 | C22 | H7 | 179.4° | 179.5° |
| C21 | C19 | C18 | H21 | 179.9° | 179.9° |
| O4 | C3 | C5 | C6 | 179.9° | 180.0° |
| O4 | C3 | C5 | H1 | 0.1° | 0.3° |
| C3 | C5 | C6 | N15 | 0.7° | 0.3° |
| C3 | C5 | C6 | H1 | 180.0° | 179.7° |
| C3 | C5 | C6 | N7 | 178.2° | 179.7° |
| N15 | C16 | C17 | H19 | 120.6° | 120.0° |
| N15 | C16 | C17 | H20 | 120.6° | 120.0° |
| N15 | C16 | C17 | C23 | 51.1° | 82.1° |
| C16 | N15 | C6 | C5 | 179.8° | 179.5° |
| C16 | N15 | C6 | N7 | 1.2° | 0.5° |
| N15 | C16 | H19 | H20 | 118.0° | 120.0° |
| C6 | N15 | C16 | C17 | 124.7° | 84.7° |
| N15 | C6 | C5 | N7 | 179.0° | 180.0° |
| N15 | C6 | N7 | C8 | 82.2° | 122.0° |
| N15 | C6 | N7 | C14 | 147.4° | 58.0° |
| N15 | C6 | C5 | H1 | 179.3° | 180.0° |
| C6 | N15 | C16 | H19 | 4.0° | 35.4° |
| C6 | N15 | C16 | H20 | 114.7° | 155.3° |
| C16 | C17 | C23 | C22 | 179.1° | 180.0° |
| C16 | C17 | C23 | C24 | 1.0° | 0.0° |
| C17 | C16 | H19 | H20 | 118.0° | 120.0° |
| C16 | C17 | C18 | H21 | 0.9° | 0.3° |
| C17 | C23 | C22 | C21 | 0.3° | 0.5° |
| C17 | C23 | C22 | C24 | 179.9° | 180.0° |
| C17 | C23 | C24 | N25 | 2.5° | 147.9° |
| C17 | C23 | C22 | H7 | 179.7° | 179.5° |
| C23 | C17 | C16 | H19 | 69.5° | 157.9° |
| C23 | C17 | C16 | H20 | 171.8° | 37.9° |
| C23 | C17 | C18 | H21 | 179.0° | 179.9° |
| C21 | C22 | C23 | H7 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 179.8° | 179.5° |
| C5 | C6 | N7 | C8 | 96.8° | 58.0° |
| C5 | C6 | N7 | C14 | 33.6° | 122.0° |
| C6 | N7 | C8 | C14 | 132.9° | 180.0° |
| C6 | N7 | C8 | C9 | 162.0° | 126.4° |
| C6 | N7 | C14 | C11 | 166.4° | 126.4° |
| N7 | C6 | C5 | H1 | 1.7° | 0.0° |
| C6 | N7 | C8 | H2 | 78.3° | 6.6° |
| C6 | N7 | C8 | H3 | 42.2° | 113.8° |
| C6 | N7 | C14 | H17 | 46.6° | 113.8° |
| C6 | N7 | C14 | H18 | 73.8° | 6.6° |
| C22 | C23 | C24 | N25 | 177.4° | 32.1° |
| C23 | C22 | C21 | H6 | 179.4° | 180.0° |
| C24 | C23 | C22 | H7 | 0.2° | 0.5° |
| N7 | C8 | C9 | H2 | 119.8° | 119.7° |
| N7 | C8 | C9 | H3 | 119.7° | 119.8° |
| N7 | C8 | C9 | C10 | 61.9° | 54.7° |
| C8 | N7 | C14 | C11 | 62.9° | 53.6° |
| N7 | C8 | H2 | H3 | 120.7° | 120.4° |
| N7 | C8 | C9 | H11 | 178.4° | 65.3° |
| N7 | C8 | C9 | H12 | 57.8° | 174.6° |
| C8 | N7 | C14 | H17 | 177.3° | 66.1° |
| C8 | N7 | C14 | H18 | 56.9° | 173.4° |
| C9 | C8 | N7 | C14 | 65.1° | 53.6° |
| C8 | C9 | C10 | H11 | 119.7° | 120.0° |
| C8 | C9 | C10 | H12 | 119.7° | 119.9° |
| C8 | C9 | C10 | C11 | 60.2° | 61.4° |
| C9 | C8 | H2 | H3 | 120.7° | 120.4° |
| C8 | C9 | C10 | H4 | 59.8° | 178.5° |
| C8 | C9 | C10 | H5 | 179.9° | 58.6° |
| C8 | C9 | H11 | H12 | 120.9° | 120.1° |
| N7 | C14 | C11 | H17 | 119.8° | 119.8° |
| N7 | C14 | C11 | H18 | 119.8° | 119.9° |
| N7 | C14 | C11 | C10 | 58.7° | 54.6° |
| N7 | C14 | C11 | N13 | 61.5° | 174.6° |
| C14 | N7 | C8 | H2 | 54.7° | 173.4° |
| C14 | N7 | C8 | H3 | 175.2° | 66.2° |
| N7 | C14 | C11 | H13 | 177.7° | 65.3° |
| N7 | C14 | H17 | H18 | 120.6° | 120.4° |
| C9 | C10 | C11 | C14 | 58.9° | 61.3° |
| C9 | C10 | C11 | H4 | 119.9° | 120.1° |
| C9 | C10 | C11 | H5 | 120.0° | 120.0° |
| C9 | C10 | C11 | N13 | 61.9° | 178.7° |
| C10 | C9 | C8 | H2 | 57.8° | 174.4° |
| C10 | C9 | C8 | H3 | 178.3° | 65.1° |
| C9 | C10 | H4 | H5 | 120.1° | 120.0° |
| C10 | C9 | H11 | H12 | 120.9° | 120.0° |
| C9 | C10 | C11 | H13 | 177.8° | 58.6° |
| C14 | C11 | C10 | N13 | 120.8° | 120.0° |
| C14 | C11 | C10 | H13 | 118.9° | 119.9° |
| C14 | C11 | N13 | H13 | 120.2° | 120.0° |
| C14 | C11 | C10 | H4 | 61.0° | 178.6° |
| C14 | C11 | C10 | H5 | 178.9° | 58.7° |
| C14 | C11 | N13 | H14 | 180.0° | 179.9° |
| C14 | C11 | N13 | H15 | 60.0° | 55.9° |
| C11 | C14 | H17 | H18 | 120.6° | 120.3° |
| C10 | C11 | N13 | H13 | 119.7° | 120.1° |
| C11 | C10 | H4 | H5 | 120.1° | 120.0° |
| C11 | C10 | C9 | H11 | 179.8° | 58.6° |
| C11 | C10 | C9 | H12 | 59.5° | 178.7° |
| C10 | C11 | N13 | H14 | 60.0° | 60.0° |
| C10 | C11 | N13 | H15 | 60.0° | 63.9° |
| C10 | C11 | C14 | H17 | 178.5° | 65.2° |
| C10 | C11 | C14 | H18 | 61.2° | 174.5° |
| N13 | C11 | C10 | H4 | 178.1° | 58.7° |
| N13 | C11 | C10 | H5 | 58.1° | 61.3° |
| C11 | N13 | H14 | H15 | 120.0° | 124.0° |
| N13 | C11 | C14 | H17 | 58.3° | 54.8° |
| N13 | C11 | C14 | H18 | 178.6° | 65.6° |
| H2 | C8 | C9 | H11 | 61.9° | 54.4° |
| H2 | C8 | C9 | H12 | 177.5° | 65.6° |
| H3 | C8 | C9 | H11 | 58.6° | 174.9° |
| H3 | C8 | C9 | H12 | 62.0° | 54.8° |
| H4 | C10 | C9 | H11 | 59.9° | 61.4° |
| H4 | C10 | C9 | H12 | 179.5° | 58.6° |
| H4 | C10 | C11 | H13 | 57.9° | 61.5° |
| H5 | C10 | C9 | H11 | 60.2° | 178.6° |
| H5 | C10 | C9 | H12 | 60.4° | 61.3° |
| H5 | C10 | C11 | H13 | 62.2° | 178.6° |
| H6 | C21 | C22 | H7 | 0.6° | 0.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.1° |
| H13 | C11 | N13 | H14 | 59.8° | 60.1° |
| H13 | C11 | N13 | H15 | 179.8° | 176.0° |
| H13 | C11 | C14 | H17 | 62.5° | 174.9° |
| H13 | C11 | C14 | H18 | 57.9° | 54.5° |
