7YP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O24 | sing | 1.43Å | 1.43Å | |
| O24 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C1 | sing | 1.51Å | 1.50Å | |
| C6 | C9 | sing | 1.51Å | 1.51Å | |
| C16 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | N4 | sing | 1.35Å | 1.35Å | |
| C1 | O12 | doub | 1.21Å | 1.22Å | |
| N4 | C10 | sing | 1.46Å | 1.46Å | |
| C9 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C3 | sing | 1.51Å | 1.51Å | |
| C22 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | O25 | sing | 1.36Å | 1.37Å | |
| C21 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | O8 | sing | 1.36Å | 1.35Å | |
| C2 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| O8 | C18 | sing | 1.43Å | 1.43Å | |
| N19 | C7 | sing | 1.35Å | 1.35Å | |
| C15 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C5 | sing | 1.51Å | 1.52Å | |
| C7 | C18 | sing | 1.51Å | 1.50Å | |
| C7 | O13 | doub | 1.21Å | 1.22Å | |
| N27 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| O25 | H21 | sing | 0.97Å | 0.95Å | |
| N27 | H22 | sing | 1.01Å | 1.00Å | |
| N27 | H23 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O24 | C6 | 115.1° | 114.0° |
| O24 | C26 | H9 | 109.5° | 109.5° |
| O24 | C26 | H10 | 109.5° | 109.5° |
| O24 | C26 | H11 | 109.4° | 109.5° |
| O24 | C6 | C1 | 107.9° | 109.5° |
| O24 | C6 | C9 | 108.6° | 109.4° |
| O24 | C6 | H3 | 109.5° | 109.4° |
| C1 | C6 | C9 | 113.8° | 109.5° |
| C6 | C1 | N4 | 118.1° | 120.0° |
| C6 | C1 | O12 | 120.4° | 120.0° |
| C1 | C6 | H3 | 108.5° | 109.4° |
| C6 | C9 | C16 | 118.4° | 120.0° |
| C6 | C9 | C17 | 121.1° | 119.9° |
| C9 | C6 | H3 | 108.5° | 109.5° |
| C9 | C16 | C22 | 119.9° | 120.1° |
| C16 | C9 | C17 | 120.5° | 120.1° |
| C9 | C16 | H15 | 120.0° | 120.0° |
| C16 | C22 | C20 | 119.8° | 119.9° |
| C16 | C22 | H8 | 120.1° | 120.0° |
| C22 | C16 | H15 | 120.1° | 119.9° |
| N4 | C1 | O12 | 121.5° | 120.0° |
| C1 | N4 | C10 | 122.6° | 120.0° |
| C1 | N4 | H12 | 118.7° | 120.0° |
| N4 | C10 | C3 | 114.1° | 109.5° |
| N4 | C10 | H4 | 108.3° | 109.5° |
| N4 | C10 | H5 | 108.3° | 109.5° |
| C10 | N4 | H12 | 118.7° | 120.0° |
| C9 | C17 | C23 | 119.3° | 120.0° |
| C9 | C17 | H6 | 120.4° | 120.0° |
| C10 | C3 | C14 | 123.2° | 120.0° |
| C10 | C3 | C2 | 117.1° | 120.0° |
| C3 | C10 | H4 | 108.3° | 109.5° |
| C3 | C10 | H5 | 108.3° | 109.5° |
| C22 | C20 | C23 | 120.2° | 119.9° |
| C22 | C20 | O25 | 120.0° | 120.1° |
| C20 | C22 | H8 | 120.1° | 120.0° |
| C3 | C14 | C21 | 120.4° | 120.1° |
| C14 | C3 | C2 | 119.7° | 119.9° |
| C3 | C14 | H14 | 119.8° | 120.0° |
| C14 | C21 | C15 | 119.5° | 120.1° |
| C14 | C21 | H7 | 120.3° | 119.9° |
| C21 | C14 | H14 | 119.8° | 119.9° |
| C3 | C2 | O8 | 118.0° | 120.1° |
| C3 | C2 | C11 | 120.1° | 119.9° |
| C17 | C23 | C20 | 120.3° | 120.0° |
| C23 | C17 | H6 | 120.3° | 120.0° |
| C17 | C23 | H20 | 119.9° | 120.0° |
| C23 | C20 | O25 | 119.8° | 120.0° |
| C20 | C23 | H20 | 119.8° | 120.0° |
| C20 | O25 | H21 | 109.5° | 114.0° |
| C21 | C15 | C11 | 119.7° | 120.0° |
| C21 | C15 | C5 | 122.5° | 120.0° |
| C15 | C21 | H7 | 120.3° | 119.9° |
| O8 | C2 | C11 | 121.9° | 120.0° |
| C2 | O8 | C18 | 114.3° | 117.0° |
| C2 | C11 | C15 | 120.7° | 119.9° |
| C2 | C11 | H13 | 119.7° | 120.0° |
| O8 | C18 | C7 | 108.2° | 109.5° |
| O8 | C18 | H16 | 109.8° | 109.4° |
| O8 | C18 | H17 | 109.8° | 109.5° |
| N19 | C7 | C18 | 119.3° | 120.0° |
| N19 | C7 | O13 | 121.3° | 120.0° |
| C7 | N19 | H18 | 120.0° | 120.0° |
| C7 | N19 | H19 | 120.0° | 120.0° |
| C11 | C15 | C5 | 117.9° | 120.0° |
| C15 | C11 | H13 | 119.7° | 120.0° |
| C15 | C5 | N27 | 114.7° | 109.5° |
| C15 | C5 | H1 | 108.1° | 109.4° |
| C15 | C5 | H2 | 108.1° | 109.4° |
| C18 | C7 | O13 | 119.5° | 120.0° |
| C7 | C18 | H16 | 109.8° | 109.5° |
| C7 | C18 | H17 | 109.8° | 109.5° |
| N27 | C5 | H1 | 108.1° | 109.5° |
| N27 | C5 | H2 | 108.1° | 109.5° |
| C5 | N27 | H22 | 109.5° | 111.0° |
| C5 | N27 | H23 | 109.5° | 111.0° |
| H1 | C5 | H2 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H9 | C26 | H10 | 109.5° | 109.4° |
| H9 | C26 | H11 | 109.5° | 109.4° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.4° |
| H18 | N19 | H19 | 120.0° | 119.9° |
| H22 | N27 | H23 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O24 | C6 | C1 | 172.2° | 90.0° |
| C26 | O24 | C6 | C9 | 64.0° | 150.0° |
| C26 | O24 | C6 | H3 | 54.3° | 30.0° |
| O24 | C26 | H9 | H10 | 120.0° | 120.0° |
| O24 | C26 | H9 | H11 | 120.0° | 120.0° |
| O24 | C26 | H10 | H11 | 119.9° | 120.1° |
| O24 | C6 | C1 | C9 | 120.6° | 120.0° |
| O24 | C6 | C1 | H3 | 118.5° | 120.0° |
| O24 | C6 | C9 | H3 | 118.9° | 120.0° |
| O24 | C6 | C9 | C16 | 92.9° | 40.0° |
| O24 | C6 | C1 | N4 | 4.0° | 175.0° |
| O24 | C6 | C1 | O12 | 174.5° | 5.0° |
| O24 | C6 | C9 | C17 | 85.2° | 140.0° |
| C6 | O24 | C26 | H9 | 180.0° | 180.0° |
| C6 | O24 | C26 | H10 | 60.0° | 60.1° |
| C6 | O24 | C26 | H11 | 60.0° | 60.0° |
| C1 | C6 | C9 | H3 | 120.9° | 120.0° |
| C1 | C6 | C9 | C16 | 146.9° | 80.0° |
| C6 | C1 | N4 | O12 | 178.5° | 180.0° |
| C6 | C1 | N4 | C10 | 177.7° | 180.0° |
| C1 | C6 | C9 | C17 | 35.0° | 100.0° |
| C6 | C1 | N4 | H12 | 2.3° | 0.0° |
| C6 | C9 | C16 | C17 | 178.1° | 180.0° |
| C6 | C9 | C16 | C22 | 179.1° | 180.0° |
| C9 | C6 | C1 | N4 | 116.6° | 65.0° |
| C9 | C6 | C1 | O12 | 64.9° | 115.0° |
| C6 | C9 | C17 | C23 | 178.8° | 179.9° |
| C6 | C9 | C17 | H6 | 1.2° | 0.3° |
| C6 | C9 | C16 | H15 | 0.9° | 0.0° |
| C9 | C16 | C22 | H15 | 180.0° | 180.0° |
| C9 | C16 | C22 | C20 | 0.8° | 0.2° |
| C16 | C9 | C17 | C23 | 0.8° | 0.0° |
| C16 | C9 | C6 | H3 | 26.0° | 160.0° |
| C16 | C9 | C17 | H6 | 179.3° | 179.7° |
| C9 | C16 | C22 | H8 | 179.2° | 179.8° |
| C22 | C16 | C9 | C17 | 0.9° | 0.0° |
| C16 | C22 | C20 | H8 | 180.0° | 179.6° |
| C16 | C22 | C20 | C23 | 0.5° | 0.4° |
| C16 | C22 | C20 | O25 | 179.6° | 180.0° |
| C1 | N4 | C10 | H12 | 180.0° | 179.9° |
| C1 | N4 | C10 | C3 | 128.9° | 180.0° |
| N4 | C1 | C6 | H3 | 122.5° | 55.0° |
| C1 | N4 | C10 | H4 | 110.5° | 60.0° |
| C1 | N4 | C10 | H5 | 8.2° | 60.0° |
| O12 | C1 | N4 | C10 | 0.8° | 0.0° |
| O12 | C1 | C6 | H3 | 56.0° | 125.0° |
| O12 | C1 | N4 | H12 | 179.2° | 180.0° |
| N4 | C10 | C3 | H4 | 120.7° | 120.0° |
| N4 | C10 | C3 | H5 | 120.7° | 120.0° |
| N4 | C10 | C3 | C14 | 99.1° | 100.0° |
| N4 | C10 | C3 | C2 | 82.6° | 80.0° |
| N4 | C10 | H4 | H5 | 117.9° | 120.0° |
| C9 | C17 | C23 | H6 | 180.0° | 179.8° |
| C9 | C17 | C23 | C20 | 0.4° | 0.2° |
| C17 | C9 | C6 | H3 | 155.9° | 20.0° |
| C17 | C9 | C16 | H15 | 179.0° | 180.0° |
| C9 | C17 | C23 | H20 | 179.5° | 179.7° |
| C10 | C3 | C14 | C2 | 178.3° | 180.0° |
| C10 | C3 | C14 | C21 | 178.9° | 179.7° |
| C10 | C3 | C2 | O8 | 1.6° | 0.0° |
| C10 | C3 | C2 | C11 | 179.3° | 179.4° |
| C3 | C10 | H4 | H5 | 117.9° | 120.0° |
| C3 | C10 | N4 | H12 | 51.1° | 0.0° |
| C10 | C3 | C14 | H14 | 1.2° | 0.0° |
| C22 | C20 | C23 | C17 | 0.3° | 0.4° |
| C22 | C20 | C23 | O25 | 179.9° | 179.6° |
| C20 | C22 | C16 | H15 | 179.2° | 179.8° |
| C22 | C20 | C23 | H20 | 179.7° | 179.5° |
| C22 | C20 | O25 | H21 | 180.0° | 90.4° |
| C3 | C14 | C21 | H14 | 180.0° | 179.6° |
| C3 | C14 | C21 | C15 | 0.2° | 0.1° |
| C14 | C3 | C2 | O8 | 180.0° | 180.0° |
| C14 | C3 | C2 | C11 | 0.9° | 0.6° |
| C14 | C3 | C10 | H4 | 21.6° | 20.0° |
| C14 | C3 | C10 | H5 | 140.2° | 140.0° |
| C3 | C14 | C21 | H7 | 179.8° | 180.0° |
| C21 | C14 | C3 | C2 | 0.6° | 0.3° |
| C14 | C21 | C15 | H7 | 180.0° | 179.9° |
| C14 | C21 | C15 | C11 | 0.7° | 0.1° |
| C14 | C21 | C15 | C5 | 179.6° | 179.7° |
| C3 | C2 | O8 | C11 | 179.1° | 179.4° |
| C3 | C2 | O8 | C18 | 177.6° | 179.4° |
| C3 | C2 | C11 | C15 | 0.4° | 0.6° |
| C2 | C3 | C10 | H4 | 156.8° | 160.0° |
| C2 | C3 | C10 | H5 | 38.1° | 40.0° |
| C3 | C2 | C11 | H13 | 179.7° | 179.5° |
| C2 | C3 | C14 | H14 | 179.4° | 180.0° |
| C17 | C23 | C20 | H20 | 180.0° | 179.9° |
| C17 | C23 | C20 | O25 | 179.8° | 180.0° |
| C20 | C23 | C17 | H6 | 179.6° | 180.0° |
| C23 | C20 | C22 | H8 | 179.5° | 180.0° |
| C23 | C20 | O25 | H21 | 0.1° | 90.0° |
| O25 | C20 | C22 | H8 | 0.3° | 0.4° |
| O25 | C20 | C23 | H20 | 0.2° | 0.1° |
| C21 | C15 | C11 | C2 | 0.5° | 0.4° |
| C21 | C15 | C11 | C5 | 178.9° | 179.6° |
| C21 | C15 | C5 | N27 | 29.9° | 89.7° |
| C21 | C15 | C5 | H1 | 90.8° | 30.4° |
| C21 | C15 | C5 | H2 | 150.7° | 150.3° |
| C21 | C15 | C11 | H13 | 179.5° | 179.7° |
| C15 | C21 | C14 | H14 | 179.7° | 179.7° |
| O8 | C2 | C11 | C15 | 179.5° | 180.0° |
| C2 | O8 | C18 | C7 | 176.0° | 180.0° |
| O8 | C2 | C11 | H13 | 0.6° | 0.1° |
| C2 | O8 | C18 | H16 | 64.2° | 60.0° |
| C2 | O8 | C18 | H17 | 56.2° | 60.0° |
| C11 | C2 | O8 | C18 | 3.3° | 0.0° |
| C2 | C11 | C15 | H13 | 180.0° | 179.9° |
| C2 | C11 | C15 | C5 | 179.4° | 180.0° |
| O8 | C18 | C7 | N19 | 0.9° | 180.0° |
| O8 | C18 | C7 | H16 | 119.8° | 120.0° |
| O8 | C18 | C7 | H17 | 119.8° | 120.0° |
| O8 | C18 | C7 | O13 | 178.9° | 0.0° |
| O8 | C18 | H16 | H17 | 120.6° | 120.0° |
| N19 | C7 | C18 | O13 | 179.8° | 180.0° |
| N19 | C7 | C18 | H16 | 118.9° | 60.0° |
| N19 | C7 | C18 | H17 | 120.7° | 59.9° |
| C7 | N19 | H18 | H19 | 180.0° | 179.9° |
| C11 | C15 | C5 | N27 | 151.2° | 89.9° |
| C11 | C15 | C5 | H1 | 88.1° | 150.0° |
| C11 | C15 | C5 | H2 | 30.4° | 30.1° |
| C11 | C15 | C21 | H7 | 179.3° | 180.0° |
| C15 | C5 | N27 | H1 | 120.8° | 120.0° |
| C15 | C5 | N27 | H2 | 120.8° | 120.0° |
| C15 | C5 | H1 | H2 | 117.6° | 119.9° |
| C5 | C15 | C21 | H7 | 0.4° | 0.4° |
| C5 | C15 | C11 | H13 | 0.6° | 0.1° |
| C15 | C5 | N27 | H22 | 180.0° | 180.0° |
| C15 | C5 | N27 | H23 | 60.0° | 56.0° |
| C7 | C18 | H16 | H17 | 120.6° | 120.0° |
| C18 | C7 | N19 | H18 | 179.8° | 0.1° |
| C18 | C7 | N19 | H19 | 0.2° | 180.0° |
| O13 | C7 | C18 | H16 | 61.3° | 120.0° |
| O13 | C7 | C18 | H17 | 59.1° | 120.0° |
| O13 | C7 | N19 | H18 | 0.0° | 179.9° |
| O13 | C7 | N19 | H19 | 180.0° | 0.0° |
| N27 | C5 | H1 | H2 | 117.6° | 120.1° |
| C5 | N27 | H22 | H23 | 120.0° | 124.0° |
| H1 | C5 | N27 | H22 | 59.2° | 60.0° |
| H1 | C5 | N27 | H23 | 179.3° | 176.0° |
| H2 | C5 | N27 | H22 | 59.2° | 60.1° |
| H2 | C5 | N27 | H23 | 60.8° | 64.0° |
| H4 | C10 | N4 | H12 | 69.5° | 120.1° |
| H5 | C10 | N4 | H12 | 171.8° | 120.0° |
| H6 | C17 | C23 | H20 | 0.4° | 0.0° |
| H7 | C21 | C14 | H14 | 0.3° | 0.4° |
| H8 | C22 | C16 | H15 | 0.8° | 0.2° |
| H9 | C26 | H10 | H11 | 120.0° | 119.9° |
