7YJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
| C28 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C21 | sing | 1.51Å | 1.51Å | |
| C19 | N13 | sing | 1.47Å | 1.47Å | |
| C27 | C25 | sing | 1.38Å | 1.33Å | Aromatic |
| C21 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| O17 | C12 | doub | 1.21Å | 1.19Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| C12 | C14 | sing | 1.51Å | 1.51Å | |
| C30 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C14 | sing | 1.53Å | 1.53Å | |
| C23 | C29 | sing | 1.53Å | 1.54Å | |
| C25 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | O24 | sing | 1.43Å | 1.42Å | |
| C9 | N3 | sing | 1.40Å | 1.36Å | |
| N3 | C2 | sing | 1.36Å | 1.33Å | Aromatic |
| N3 | N5 | sing | 1.40Å | 1.39Å | Aromatic |
| O16 | C2 | sing | 1.36Å | 1.30Å | |
| C2 | C1 | doub | 1.38Å | 1.35Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.26Å | Aromatic |
| C1 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.48Å | 1.46Å | |
| N6 | C4 | sing | 1.38Å | 1.35Å | Aromatic |
| N6 | C11 | sing | 1.37Å | 1.32Å | Aromatic |
| C4 | C8 | doub | 1.36Å | 1.34Å | Aromatic |
| C11 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C20 | C26 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C10 | sing | 1.46Å | 1.44Å | Aromatic |
| C10 | C22 | doub | 1.40Å | 1.37Å | Aromatic |
| C26 | N18 | doub | 1.32Å | 1.30Å | Aromatic |
| C22 | N18 | sing | 1.32Å | 1.29Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| N6 | H9 | sing | 0.97Å | 1.00Å | |
| N13 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| O24 | H15 | sing | 0.97Å | 0.95Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| O16 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C21 | 121.5° | 120.1° |
| C28 | C27 | C25 | 119.4° | 120.1° |
| C27 | C28 | H7 | 119.2° | 119.9° |
| C28 | C27 | H17 | 120.3° | 120.0° |
| C28 | C21 | C19 | 118.7° | 120.0° |
| C28 | C21 | C15 | 118.2° | 120.1° |
| C21 | C28 | H7 | 119.2° | 120.0° |
| C21 | C19 | N13 | 111.1° | 109.5° |
| C19 | C21 | C15 | 123.0° | 119.9° |
| C21 | C19 | H12 | 109.1° | 109.5° |
| C21 | C19 | H13 | 109.0° | 109.5° |
| C19 | N13 | C12 | 121.4° | 120.0° |
| C19 | N13 | H10 | 119.3° | 120.0° |
| N13 | C19 | H12 | 109.1° | 109.4° |
| N13 | C19 | H13 | 109.1° | 109.5° |
| C27 | C25 | C9 | 121.4° | 119.9° |
| C27 | C25 | H16 | 119.3° | 120.1° |
| C25 | C27 | H17 | 120.3° | 119.9° |
| C21 | C15 | C9 | 120.4° | 119.9° |
| C21 | C15 | H3 | 119.8° | 120.0° |
| O17 | C12 | N13 | 118.7° | 120.0° |
| O17 | C12 | C14 | 118.3° | 120.0° |
| N13 | C12 | C14 | 123.0° | 120.0° |
| C12 | N13 | H10 | 119.3° | 120.0° |
| C12 | C14 | C23 | 112.3° | 109.5° |
| C12 | C14 | O24 | 110.3° | 109.4° |
| C12 | C14 | H11 | 107.5° | 109.5° |
| C30 | C23 | C14 | 107.7° | 109.5° |
| C30 | C23 | C29 | 106.1° | 109.5° |
| C30 | C23 | H14 | 110.1° | 109.4° |
| C23 | C30 | H21 | 109.5° | 109.5° |
| C23 | C30 | H22 | 109.5° | 109.5° |
| C23 | C30 | H23 | 109.5° | 109.4° |
| C14 | C23 | C29 | 113.0° | 109.5° |
| C23 | C14 | O24 | 110.4° | 109.5° |
| C23 | C14 | H11 | 107.3° | 109.5° |
| C14 | C23 | H14 | 110.0° | 109.5° |
| C29 | C23 | H14 | 109.8° | 109.5° |
| C23 | C29 | H18 | 109.5° | 109.5° |
| C23 | C29 | H19 | 109.4° | 109.4° |
| C23 | C29 | H20 | 109.5° | 109.5° |
| C25 | C9 | C15 | 119.0° | 119.9° |
| C25 | C9 | N3 | 120.4° | 120.0° |
| C9 | C25 | H16 | 119.3° | 120.1° |
| C15 | C9 | N3 | 120.5° | 120.1° |
| C9 | C15 | H3 | 119.8° | 120.1° |
| O24 | C14 | H11 | 108.7° | 109.5° |
| C14 | O24 | H15 | 109.5° | 114.0° |
| C9 | N3 | C2 | 128.0° | 125.9° |
| C9 | N3 | N5 | 125.7° | 125.9° |
| C2 | N3 | N5 | 105.9° | 108.2° |
| N3 | C2 | O16 | 123.3° | 126.4° |
| N3 | C2 | C1 | 109.9° | 107.2° |
| N3 | N5 | C7 | 109.7° | 109.0° |
| O16 | C2 | C1 | 126.8° | 126.4° |
| C2 | O16 | H8 | 109.5° | 114.0° |
| C2 | C1 | C7 | 105.0° | 107.2° |
| C2 | C1 | C4 | 126.2° | 126.4° |
| N5 | C7 | C1 | 109.4° | 108.4° |
| N5 | C7 | H1 | 125.3° | 125.8° |
| C7 | C1 | C4 | 128.7° | 126.3° |
| C1 | C7 | H1 | 125.3° | 125.8° |
| C1 | C4 | N6 | 122.6° | 125.2° |
| C1 | C4 | C8 | 130.1° | 125.2° |
| C4 | N6 | C11 | 111.6° | 109.8° |
| N6 | C4 | C8 | 107.3° | 109.6° |
| C4 | N6 | H9 | 124.2° | 125.1° |
| N6 | C11 | C20 | 133.7° | 134.4° |
| N6 | C11 | C10 | 108.0° | 107.5° |
| C11 | N6 | H9 | 124.2° | 125.1° |
| C4 | C8 | C10 | 108.6° | 106.9° |
| C4 | C8 | H2 | 125.7° | 126.5° |
| C20 | C11 | C10 | 118.3° | 118.1° |
| C11 | C20 | C26 | 118.9° | 118.9° |
| C11 | C20 | H4 | 120.6° | 120.5° |
| C11 | C10 | C8 | 104.4° | 106.2° |
| C11 | C10 | C22 | 118.5° | 119.1° |
| C20 | C26 | N18 | 121.1° | 121.5° |
| C26 | C20 | H4 | 120.6° | 120.5° |
| C20 | C26 | H6 | 119.5° | 119.2° |
| C8 | C10 | C22 | 137.1° | 134.7° |
| C10 | C8 | H2 | 125.7° | 126.6° |
| C10 | C22 | N18 | 121.0° | 120.1° |
| C10 | C22 | H5 | 119.5° | 119.9° |
| C26 | N18 | C22 | 122.2° | 122.3° |
| N18 | C26 | H6 | 119.5° | 119.3° |
| N18 | C22 | H5 | 119.5° | 120.0° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H18 | C29 | H20 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C21 | H7 | 180.0° | 179.9° |
| C27 | C28 | C21 | C19 | 177.8° | 180.0° |
| C28 | C27 | C25 | H17 | 180.0° | 179.7° |
| C27 | C28 | C21 | C15 | 0.3° | 0.1° |
| C28 | C27 | C25 | C9 | 0.3° | 0.6° |
| C28 | C27 | C25 | H16 | 179.7° | 180.0° |
| C28 | C21 | C19 | C15 | 178.0° | 180.0° |
| C28 | C21 | C19 | N13 | 164.3° | 90.0° |
| C21 | C28 | C27 | C25 | 0.7° | 0.3° |
| C28 | C21 | C15 | C9 | 1.0° | 0.0° |
| C28 | C21 | C15 | H3 | 179.0° | 179.8° |
| C28 | C21 | C19 | H12 | 44.0° | 29.9° |
| C28 | C21 | C19 | H13 | 75.5° | 149.9° |
| C21 | C28 | C27 | H17 | 179.3° | 180.0° |
| C21 | C19 | N13 | H12 | 120.3° | 120.0° |
| C21 | C19 | N13 | H13 | 120.2° | 120.0° |
| C21 | C19 | N13 | C12 | 81.7° | 180.0° |
| C19 | C21 | C15 | C9 | 179.0° | 180.0° |
| C19 | C21 | C15 | H3 | 0.9° | 0.3° |
| C19 | C21 | C28 | H7 | 2.2° | 0.0° |
| C21 | C19 | N13 | H10 | 98.3° | 0.1° |
| C21 | C19 | H12 | H13 | 119.2° | 120.0° |
| N13 | C19 | C21 | C15 | 17.7° | 90.0° |
| C19 | N13 | C12 | O17 | 1.4° | 0.0° |
| C19 | N13 | C12 | H10 | 180.0° | 180.0° |
| C19 | N13 | C12 | C14 | 178.7° | 180.0° |
| N13 | C19 | H12 | H13 | 119.3° | 120.0° |
| C27 | C25 | C9 | H16 | 180.0° | 179.4° |
| C27 | C25 | C9 | C15 | 1.5° | 0.5° |
| C27 | C25 | C9 | N3 | 179.4° | 179.4° |
| C25 | C27 | C28 | H7 | 179.3° | 179.7° |
| C21 | C15 | C9 | C25 | 1.9° | 0.2° |
| C21 | C15 | C9 | H3 | 180.0° | 179.8° |
| C21 | C15 | C9 | N3 | 179.8° | 179.7° |
| C15 | C21 | C28 | H7 | 179.7° | 180.0° |
| C15 | C21 | C19 | H12 | 138.0° | 150.0° |
| C15 | C21 | C19 | H13 | 102.5° | 30.0° |
| O17 | C12 | N13 | C14 | 177.3° | 180.0° |
| O17 | C12 | C14 | C23 | 99.6° | 115.0° |
| O17 | C12 | C14 | O24 | 136.7° | 5.0° |
| O17 | C12 | N13 | H10 | 178.6° | 179.9° |
| O17 | C12 | C14 | H11 | 18.3° | 125.0° |
| N13 | C12 | C14 | C23 | 83.1° | 65.0° |
| N13 | C12 | C14 | O24 | 40.6° | 175.0° |
| N13 | C12 | C14 | H11 | 159.0° | 55.0° |
| C12 | N13 | C19 | H12 | 38.5° | 60.0° |
| C12 | N13 | C19 | H13 | 158.0° | 60.0° |
| C12 | C14 | C23 | C30 | 96.0° | 175.0° |
| C12 | C14 | C23 | O24 | 123.6° | 120.0° |
| C12 | C14 | C23 | H11 | 118.0° | 120.0° |
| C12 | C14 | C23 | C29 | 147.2° | 65.0° |
| C12 | C14 | O24 | H11 | 117.7° | 120.0° |
| C14 | C12 | N13 | H10 | 1.3° | 0.0° |
| C12 | C14 | C23 | H14 | 24.0° | 55.0° |
| C12 | C14 | O24 | H15 | 180.0° | 60.1° |
| C30 | C23 | C14 | C29 | 116.8° | 120.0° |
| C30 | C23 | C14 | H14 | 120.0° | 120.0° |
| C30 | C23 | C29 | H14 | 119.0° | 119.9° |
| C30 | C23 | C14 | O24 | 140.4° | 65.0° |
| C30 | C23 | C14 | H11 | 22.0° | 55.0° |
| C30 | C23 | C29 | H18 | 180.0° | 179.9° |
| C30 | C23 | C29 | H19 | 60.0° | 60.0° |
| C30 | C23 | C29 | H20 | 60.0° | 60.0° |
| C23 | C30 | H21 | H22 | 120.0° | 120.0° |
| C23 | C30 | H21 | H23 | 120.0° | 119.9° |
| C23 | C30 | H22 | H23 | 120.0° | 120.0° |
| C14 | C23 | C29 | H14 | 123.3° | 120.0° |
| C23 | C14 | O24 | H11 | 117.5° | 120.0° |
| C23 | C14 | O24 | H15 | 55.2° | 59.9° |
| C14 | C23 | C29 | H18 | 62.2° | 60.0° |
| C14 | C23 | C29 | H19 | 57.8° | 60.0° |
| C14 | C23 | C29 | H20 | 177.8° | 180.0° |
| C14 | C23 | C30 | H21 | 180.0° | 60.0° |
| C14 | C23 | C30 | H22 | 60.0° | 180.0° |
| C14 | C23 | C30 | H23 | 60.0° | 60.0° |
| C29 | C23 | C14 | O24 | 23.6° | 55.0° |
| C29 | C23 | C14 | H11 | 94.8° | 175.0° |
| C23 | C29 | H18 | H19 | 120.0° | 120.0° |
| C23 | C29 | H18 | H20 | 120.0° | 120.0° |
| C23 | C29 | H19 | H20 | 120.0° | 120.0° |
| C29 | C23 | C30 | H21 | 58.8° | 180.0° |
| C29 | C23 | C30 | H22 | 61.2° | 60.0° |
| C29 | C23 | C30 | H23 | 178.8° | 60.0° |
| C25 | C9 | C15 | N3 | 177.8° | 179.9° |
| C25 | C9 | N3 | C2 | 46.0° | 35.1° |
| C25 | C9 | N3 | N5 | 142.2° | 144.7° |
| C25 | C9 | C15 | H3 | 178.1° | 180.0° |
| C9 | C25 | C27 | H17 | 179.7° | 179.7° |
| C15 | C9 | N3 | C2 | 131.8° | 145.0° |
| C15 | C9 | N3 | N5 | 40.0° | 35.2° |
| C15 | C9 | C25 | H16 | 178.5° | 180.0° |
| O24 | C14 | C23 | H14 | 99.6° | 175.0° |
| C9 | N3 | C2 | N5 | 173.1° | 179.8° |
| C9 | N3 | C2 | O16 | 6.5° | 0.2° |
| C9 | N3 | C2 | C1 | 174.0° | 179.8° |
| C9 | N3 | N5 | C7 | 174.9° | 179.8° |
| N3 | C9 | C15 | H3 | 0.2° | 0.1° |
| N3 | C9 | C25 | H16 | 0.6° | 0.1° |
| N3 | C2 | O16 | C1 | 179.5° | 180.0° |
| C2 | N3 | N5 | C7 | 1.6° | 0.0° |
| N3 | C2 | C1 | C7 | 0.1° | 0.0° |
| N3 | C2 | C1 | C4 | 179.3° | 180.0° |
| N3 | C2 | O16 | H8 | 180.0° | 90.0° |
| N5 | N3 | C2 | O16 | 179.6° | 180.0° |
| N5 | N3 | C2 | C1 | 0.9° | 0.0° |
| N3 | N5 | C7 | C1 | 1.7° | 0.0° |
| N3 | N5 | C7 | H1 | 178.4° | 180.0° |
| O16 | C2 | C1 | C7 | 179.5° | 180.0° |
| O16 | C2 | C1 | C4 | 0.3° | 0.0° |
| C2 | C1 | C7 | N5 | 1.1° | 0.0° |
| C2 | C1 | C7 | C4 | 179.2° | 180.0° |
| C2 | C1 | C4 | N6 | 4.0° | 140.2° |
| C2 | C1 | C4 | C8 | 177.4° | 40.0° |
| C2 | C1 | C7 | H1 | 178.9° | 180.0° |
| C1 | C2 | O16 | H8 | 0.5° | 90.0° |
| N5 | C7 | C1 | H1 | 180.0° | 180.0° |
| N5 | C7 | C1 | C4 | 179.7° | 180.0° |
| C7 | C1 | C4 | N6 | 175.0° | 39.8° |
| C7 | C1 | C4 | C8 | 3.6° | 140.0° |
| C1 | C4 | N6 | C8 | 178.9° | 179.8° |
| C1 | C4 | N6 | C11 | 179.9° | 179.9° |
| C1 | C4 | C8 | C10 | 179.5° | 180.0° |
| C4 | C1 | C7 | H1 | 0.3° | 0.0° |
| C1 | C4 | C8 | H2 | 0.5° | 0.1° |
| C1 | C4 | N6 | H9 | 0.1° | 0.2° |
| C4 | N6 | C11 | H9 | 180.0° | 179.7° |
| C4 | N6 | C11 | C20 | 180.0° | 180.0° |
| C4 | N6 | C11 | C10 | 0.2° | 0.3° |
| N6 | C4 | C8 | C10 | 1.7° | 0.2° |
| N6 | C4 | C8 | H2 | 178.3° | 179.8° |
| C11 | N6 | C4 | C8 | 1.2° | 0.3° |
| N6 | C11 | C20 | C10 | 179.9° | 179.7° |
| N6 | C11 | C20 | C26 | 180.0° | 179.8° |
| N6 | C11 | C10 | C8 | 0.8° | 0.1° |
| N6 | C11 | C10 | C22 | 179.2° | 179.8° |
| N6 | C11 | C20 | H4 | 0.0° | 0.3° |
| C4 | C8 | C10 | C11 | 1.6° | 0.0° |
| C4 | C8 | C10 | H2 | 180.0° | 180.0° |
| C4 | C8 | C10 | C22 | 179.4° | 179.9° |
| C8 | C4 | N6 | H9 | 178.8° | 180.0° |
| C11 | C20 | C26 | H4 | 180.0° | 179.9° |
| C20 | C11 | C10 | C8 | 179.1° | 179.9° |
| C20 | C11 | C10 | C22 | 0.7° | 0.0° |
| C11 | C20 | C26 | N18 | 0.7° | 0.1° |
| C11 | C20 | C26 | H6 | 179.4° | 179.9° |
| C20 | C11 | N6 | H9 | 0.0° | 0.3° |
| C10 | C11 | C20 | C26 | 0.2° | 0.0° |
| C11 | C10 | C8 | C22 | 177.9° | 179.9° |
| C11 | C10 | C22 | N18 | 2.5° | 0.0° |
| C11 | C10 | C8 | H2 | 178.4° | 179.9° |
| C10 | C11 | C20 | H4 | 179.8° | 180.0° |
| C11 | C10 | C22 | H5 | 177.5° | 179.9° |
| C10 | C11 | N6 | H9 | 179.8° | 180.0° |
| C20 | C26 | N18 | H6 | 180.0° | 180.0° |
| C20 | C26 | N18 | C22 | 2.5° | 0.1° |
| C8 | C10 | C22 | N18 | 179.9° | 179.9° |
| C8 | C10 | C22 | H5 | 0.1° | 0.1° |
| C10 | C22 | N18 | C26 | 3.4° | 0.1° |
| C10 | C22 | N18 | H5 | 180.0° | 180.0° |
| C22 | C10 | C8 | H2 | 0.6° | 0.0° |
| N18 | C26 | C20 | H4 | 179.3° | 179.9° |
| C26 | N18 | C22 | H5 | 176.6° | 180.0° |
| C22 | N18 | C26 | H6 | 177.5° | 179.9° |
| H4 | C20 | C26 | H6 | 0.6° | 0.1° |
| H7 | C28 | C27 | H17 | 0.7° | 0.0° |
| H10 | N13 | C19 | H12 | 141.5° | 120.0° |
| H10 | N13 | C19 | H13 | 22.0° | 120.0° |
| H11 | C14 | C23 | H14 | 142.0° | 65.0° |
| H11 | C14 | O24 | H15 | 62.3° | 180.0° |
| H14 | C23 | C29 | H18 | 61.1° | 60.0° |
| H14 | C23 | C29 | H19 | 179.0° | 180.0° |
| H14 | C23 | C29 | H20 | 59.0° | 60.0° |
| H14 | C23 | C30 | H21 | 60.0° | 60.0° |
| H14 | C23 | C30 | H22 | 180.0° | 60.0° |
| H14 | C23 | C30 | H23 | 60.0° | NaN° |
| H16 | C25 | C27 | H17 | 0.3° | 0.3° |
| H18 | C29 | H19 | H20 | 120.0° | 120.0° |
| H21 | C30 | H22 | H23 | 120.0° | 120.0° |
