F5J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C17 | sing | 1.43Å | 1.43Å | |
| C2 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| O22 | C15 | sing | 1.44Å | 1.45Å | |
| O22 | C16 | sing | 1.44Å | 1.42Å | |
| C15 | C13 | sing | 1.54Å | 1.53Å | |
| C7 | C6 | doub | 1.34Å | 1.39Å | Aromatic |
| C7 | N20 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C9 | sing | 1.46Å | 1.41Å | Aromatic |
| N20 | C16 | sing | 1.47Å | 1.44Å | |
| N20 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| N21 | C12 | sing | 1.38Å | 1.41Å | |
| C9 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | O23 | sing | 1.43Å | 1.43Å | |
| C16 | C14 | sing | 1.54Å | 1.52Å | |
| C12 | N19 | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | N18 | doub | 1.33Å | 1.36Å | Aromatic |
| C14 | O24 | sing | 1.43Å | 1.42Å | |
| N19 | C8 | doub | 1.32Å | 1.36Å | Aromatic |
| N18 | C8 | sing | 1.32Å | 1.35Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| N21 | H14 | sing | 0.97Å | 1.00Å | |
| N21 | H15 | sing | 0.97Å | 1.00Å | |
| O23 | H16 | sing | 0.97Å | 0.95Å | |
| O24 | H17 | sing | 0.97Å | 0.95Å | |
| O25 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C17 | C10 | 108.0° | 109.5° |
| O25 | C17 | C15 | 110.2° | 109.5° |
| O25 | C17 | H13 | 109.8° | 109.5° |
| C17 | O25 | H18 | 109.5° | 114.0° |
| C4 | C2 | C1 | 120.0° | 120.0° |
| C2 | C4 | C10 | 120.6° | 119.9° |
| C2 | C4 | H5 | 119.7° | 120.0° |
| C4 | C2 | H7 | 120.0° | 119.9° |
| C2 | C1 | C3 | 119.1° | 120.0° |
| C2 | C1 | H3 | 120.4° | 120.0° |
| C1 | C2 | H7 | 120.0° | 120.0° |
| C4 | C10 | C5 | 119.5° | 120.0° |
| C4 | C10 | C17 | 120.8° | 120.0° |
| C10 | C4 | H5 | 119.7° | 120.0° |
| C1 | C3 | C5 | 120.9° | 120.0° |
| C3 | C1 | H3 | 120.4° | 120.0° |
| C1 | C3 | H6 | 119.5° | 120.0° |
| C3 | C5 | C10 | 119.9° | 120.0° |
| C3 | C5 | H4 | 120.0° | 120.1° |
| C5 | C3 | H6 | 119.6° | 119.9° |
| C5 | C10 | C17 | 119.7° | 120.0° |
| C10 | C5 | H4 | 120.1° | 120.0° |
| C10 | C17 | C15 | 111.5° | 109.5° |
| C10 | C17 | H13 | 108.8° | 109.5° |
| C17 | C15 | O22 | 110.2° | 110.5° |
| C17 | C15 | C13 | 113.5° | 110.4° |
| C17 | C15 | H11 | 108.9° | 110.3° |
| C15 | C17 | H13 | 108.5° | 109.4° |
| C15 | O22 | C16 | 108.6° | 105.3° |
| O22 | C15 | C13 | 105.5° | 104.8° |
| O22 | C15 | H11 | 109.8° | 110.4° |
| O22 | C16 | N20 | 103.7° | 110.5° |
| O22 | C16 | C14 | 102.7° | 104.8° |
| O22 | C16 | H12 | 111.9° | 110.4° |
| C15 | C13 | C14 | 104.2° | 104.1° |
| C15 | C13 | O23 | 107.7° | 110.5° |
| C15 | C13 | H9 | 110.1° | 110.6° |
| C13 | C15 | H11 | 108.8° | 110.3° |
| C6 | C7 | N20 | 109.3° | 109.8° |
| C7 | C6 | C9 | 106.9° | 106.8° |
| C6 | C7 | H1 | 125.4° | 125.0° |
| C7 | C6 | H2 | 126.5° | 126.6° |
| C7 | N20 | C16 | 124.6° | 125.0° |
| C7 | N20 | C11 | 108.7° | 110.0° |
| N20 | C7 | H1 | 125.4° | 125.2° |
| C6 | C9 | C12 | 136.0° | 135.2° |
| C6 | C9 | C11 | 107.0° | 106.2° |
| C9 | C6 | H2 | 126.5° | 126.5° |
| C16 | N20 | C11 | 126.7° | 125.0° |
| N20 | C16 | C14 | 116.0° | 110.4° |
| N20 | C16 | H12 | 111.5° | 110.3° |
| N20 | C11 | C9 | 108.1° | 107.1° |
| N20 | C11 | N18 | 125.1° | 134.3° |
| N21 | C12 | C9 | 122.1° | 120.8° |
| N21 | C12 | N19 | 119.3° | 120.8° |
| C12 | N21 | H14 | 109.5° | 120.0° |
| C12 | N21 | H15 | 109.4° | 119.9° |
| C12 | C9 | C11 | 117.0° | 118.6° |
| C9 | C12 | N19 | 118.5° | 118.3° |
| C9 | C11 | N18 | 126.7° | 118.6° |
| C14 | C13 | O23 | 113.0° | 110.6° |
| C13 | C14 | C16 | 102.8° | 104.1° |
| C13 | C14 | O24 | 114.1° | 110.5° |
| C14 | C13 | H9 | 110.0° | 110.5° |
| C13 | C14 | H10 | 107.8° | 110.5° |
| O23 | C13 | H9 | 111.5° | 110.4° |
| C13 | O23 | H16 | 109.5° | 114.0° |
| C16 | C14 | O24 | 114.3° | 110.5° |
| C16 | C14 | H10 | 108.1° | 110.6° |
| C14 | C16 | H12 | 110.5° | 110.4° |
| C12 | N19 | C8 | 118.7° | 121.0° |
| C11 | N18 | C8 | 110.5° | 120.7° |
| O24 | C14 | H10 | 109.3° | 110.5° |
| C14 | O24 | H17 | 109.5° | 114.0° |
| N19 | C8 | N18 | 128.4° | 122.8° |
| N19 | C8 | H8 | 115.8° | 118.6° |
| N18 | C8 | H8 | 115.8° | 118.6° |
| H14 | N21 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C17 | C10 | C4 | 5.8° | 145.0° |
| O25 | C17 | C10 | C5 | 174.4° | 34.9° |
| O25 | C17 | C10 | C15 | 121.2° | 120.0° |
| O25 | C17 | C10 | H13 | 119.1° | 120.1° |
| O25 | C17 | C15 | H13 | 120.3° | 120.0° |
| O25 | C17 | C15 | O22 | 63.1° | 175.5° |
| O25 | C17 | C15 | C13 | 55.0° | 60.0° |
| O25 | C17 | C15 | H11 | 176.4° | 62.2° |
| C4 | C2 | C1 | H7 | 180.0° | 180.0° |
| C2 | C4 | C10 | H5 | 180.0° | 179.1° |
| C4 | C2 | C1 | C3 | 0.2° | 0.0° |
| C2 | C4 | C10 | C5 | 0.2° | 0.8° |
| C2 | C4 | C10 | C17 | 179.6° | 179.1° |
| C4 | C2 | C1 | H3 | 179.8° | 179.7° |
| C1 | C2 | C4 | C10 | 0.2° | 0.5° |
| C2 | C1 | C3 | H3 | 180.0° | 179.7° |
| C2 | C1 | C3 | C5 | 0.6° | 0.3° |
| C1 | C2 | C4 | H5 | 179.7° | 179.7° |
| C2 | C1 | C3 | H6 | 179.4° | 179.8° |
| C4 | C10 | C5 | C3 | 0.2° | 0.5° |
| C4 | C10 | C5 | C17 | 179.8° | 179.9° |
| C4 | C10 | C17 | C15 | 115.4° | 95.0° |
| C4 | C10 | C5 | H4 | 179.8° | 179.4° |
| C10 | C4 | C2 | H7 | 179.8° | 179.5° |
| C4 | C10 | C17 | H13 | 125.0° | 24.9° |
| C1 | C3 | C5 | H6 | 180.0° | 179.9° |
| C1 | C3 | C5 | C10 | 0.6° | 0.0° |
| C1 | C3 | C5 | H4 | 179.4° | 180.0° |
| C3 | C1 | C2 | H7 | 179.8° | 180.0° |
| C3 | C5 | C10 | H4 | 180.0° | 179.9° |
| C3 | C5 | C10 | C17 | 180.0° | 179.4° |
| C5 | C3 | C1 | H3 | 179.4° | 180.0° |
| C5 | C10 | C17 | C15 | 64.4° | 85.1° |
| C5 | C10 | C4 | H5 | 179.7° | 179.9° |
| C10 | C5 | C3 | H6 | 179.4° | 180.0° |
| C5 | C10 | C17 | H13 | 55.2° | 155.0° |
| C10 | C17 | C15 | H13 | 119.8° | 119.9° |
| C10 | C17 | C15 | O22 | 177.0° | 64.5° |
| C10 | C17 | C15 | C13 | 64.8° | 180.0° |
| C17 | C10 | C5 | H4 | 0.0° | 0.7° |
| C17 | C10 | C4 | H5 | 0.5° | 0.0° |
| C10 | C17 | C15 | H11 | 56.5° | 57.8° |
| C10 | C17 | O25 | H18 | 180.0° | 59.9° |
| C17 | C15 | O22 | C13 | 122.9° | 118.9° |
| C17 | C15 | O22 | H11 | 119.9° | 122.3° |
| C17 | C15 | O22 | C16 | 145.8° | 159.4° |
| C17 | C15 | C13 | H11 | 121.4° | 122.2° |
| C17 | C15 | C13 | C14 | 118.3° | 142.9° |
| C17 | C15 | C13 | O23 | 121.4° | 98.4° |
| C17 | C15 | C13 | H9 | 0.3° | 24.2° |
| C15 | C17 | O25 | H18 | 58.0° | 60.1° |
| O22 | C15 | C13 | H11 | 117.8° | 118.8° |
| C15 | O22 | C16 | N20 | 160.1° | 159.4° |
| O22 | C15 | C13 | C14 | 2.6° | 23.9° |
| O22 | C15 | C13 | O23 | 117.7° | 142.6° |
| C15 | O22 | C16 | C14 | 38.9° | 40.5° |
| O22 | C15 | C13 | H9 | 120.5° | 94.8° |
| C15 | O22 | C16 | H12 | 79.6° | 78.4° |
| O22 | C15 | C17 | H13 | 57.2° | 55.4° |
| C16 | O22 | C15 | C13 | 22.9° | 40.5° |
| O22 | C16 | N20 | C7 | 61.8° | 20.5° |
| O22 | C16 | N20 | C14 | 111.8° | 115.4° |
| O22 | C16 | N20 | H12 | 120.6° | 122.3° |
| O22 | C16 | N20 | C11 | 119.3° | 159.6° |
| O22 | C16 | C14 | C13 | 38.6° | 24.0° |
| O22 | C16 | C14 | H12 | 119.5° | 118.9° |
| O22 | C16 | C14 | O24 | 162.8° | 142.6° |
| O22 | C16 | C14 | H10 | 75.2° | 94.7° |
| C16 | O22 | C15 | H11 | 94.3° | 78.3° |
| C15 | C13 | C14 | O23 | 116.6° | 118.7° |
| C15 | C13 | C14 | H9 | 118.0° | 118.7° |
| C15 | C13 | O23 | H9 | 120.9° | 122.7° |
| C15 | C13 | C14 | C16 | 24.8° | 0.0° |
| C15 | C13 | C14 | O24 | 149.2° | 118.7° |
| C15 | C13 | C14 | H10 | 89.2° | 118.8° |
| C13 | C15 | C17 | H13 | 175.3° | 60.1° |
| C15 | C13 | O23 | H16 | 180.0° | 176.1° |
| C6 | C7 | N20 | H1 | 180.0° | 179.8° |
| C7 | C6 | C9 | H2 | 180.0° | 180.0° |
| C6 | C7 | N20 | C16 | 177.9° | 180.0° |
| C6 | C7 | N20 | C11 | 1.2° | 0.0° |
| C7 | C6 | C9 | C12 | 179.9° | 180.0° |
| C7 | C6 | C9 | C11 | 1.6° | 0.0° |
| N20 | C7 | C6 | C9 | 1.7° | 0.0° |
| C7 | N20 | C16 | C11 | 178.9° | 179.9° |
| C7 | N20 | C11 | C9 | 0.1° | 0.0° |
| C7 | N20 | C16 | C14 | 50.0° | 95.0° |
| C7 | N20 | C11 | N18 | 176.6° | 180.0° |
| N20 | C7 | C6 | H2 | 178.2° | 180.0° |
| C7 | N20 | C16 | H12 | 177.7° | 142.8° |
| C6 | C9 | C11 | N20 | 0.9° | 0.0° |
| C6 | C9 | C12 | N21 | 3.2° | 0.1° |
| C6 | C9 | C12 | C11 | 178.3° | 179.9° |
| C6 | C9 | C12 | N19 | 179.6° | 180.0° |
| C6 | C9 | C11 | N18 | 175.4° | 180.0° |
| C9 | C6 | C7 | H1 | 178.3° | 179.7° |
| C16 | N20 | C11 | C9 | 178.9° | 179.9° |
| N20 | C16 | C14 | C13 | 151.0° | 142.9° |
| N20 | C16 | C14 | H12 | 128.2° | 122.2° |
| C16 | N20 | C11 | N18 | 2.5° | 0.0° |
| N20 | C16 | C14 | O24 | 84.8° | 98.4° |
| C16 | N20 | C7 | H1 | 2.1° | 0.2° |
| N20 | C16 | C14 | H10 | 37.1° | 24.2° |
| N20 | C11 | C9 | C12 | 179.7° | 180.0° |
| N20 | C11 | C9 | N18 | 176.4° | 179.9° |
| C11 | N20 | C16 | C14 | 128.9° | 85.0° |
| N20 | C11 | N18 | C8 | 179.4° | 180.0° |
| C11 | N20 | C7 | H1 | 178.9° | 179.8° |
| C11 | N20 | C16 | H12 | 1.3° | 37.2° |
| N21 | C12 | C9 | N19 | 177.2° | 179.9° |
| N21 | C12 | C9 | C11 | 178.4° | 180.0° |
| N21 | C12 | N19 | C8 | 177.8° | 180.0° |
| C12 | N21 | H14 | H15 | 120.0° | 180.0° |
| C12 | C9 | C11 | N18 | 3.3° | 0.1° |
| C9 | C12 | N19 | C8 | 4.9° | 0.1° |
| C12 | C9 | C6 | H2 | 0.1° | 0.0° |
| C9 | C12 | N21 | H14 | 177.1° | 0.1° |
| C9 | C12 | N21 | H15 | 57.1° | 180.0° |
| C11 | C9 | C12 | N19 | 1.3° | 0.1° |
| C9 | C11 | N18 | C8 | 3.6° | 0.0° |
| C11 | C9 | C6 | H2 | 178.4° | 179.9° |
| C14 | C13 | O23 | H9 | 124.6° | 122.6° |
| C13 | C14 | C16 | O24 | 124.2° | 118.6° |
| C13 | C14 | C16 | H10 | 113.9° | 118.7° |
| C13 | C14 | O24 | H10 | 120.8° | 122.6° |
| C14 | C13 | C15 | H11 | 120.4° | 94.9° |
| C13 | C14 | C16 | H12 | 80.9° | 94.9° |
| C14 | C13 | O23 | H16 | 65.4° | 61.4° |
| C13 | C14 | O24 | H17 | 180.0° | 61.4° |
| O23 | C13 | C14 | C16 | 91.8° | 118.6° |
| O23 | C13 | C14 | O24 | 32.5° | 0.0° |
| O23 | C13 | C14 | H10 | 154.1° | 122.6° |
| O23 | C13 | C15 | H11 | 0.1° | 23.8° |
| C16 | C14 | O24 | H10 | 121.3° | 122.8° |
| C16 | C14 | C13 | H9 | 142.8° | 118.8° |
| C16 | C14 | O24 | H17 | 62.1° | 176.1° |
| C12 | N19 | C8 | N18 | 4.9° | 0.1° |
| C12 | N19 | C8 | H8 | 175.1° | 180.0° |
| N19 | C12 | N21 | H14 | 0.0° | 180.0° |
| N19 | C12 | N21 | H15 | 120.0° | 0.1° |
| C11 | N18 | C8 | N19 | 0.6° | 0.0° |
| C11 | N18 | C8 | H8 | 179.3° | 180.0° |
| O24 | C14 | C13 | H9 | 92.8° | 122.6° |
| O24 | C14 | C16 | H12 | 43.3° | 23.7° |
| N19 | C8 | N18 | H8 | 180.0° | 179.9° |
| H1 | C7 | C6 | H2 | 1.7° | 0.3° |
| H3 | C1 | C3 | H6 | 0.6° | 0.1° |
| H3 | C1 | C2 | H7 | 0.2° | 0.3° |
| H4 | C5 | C3 | H6 | 0.6° | 0.1° |
| H5 | C4 | C2 | H7 | 0.3° | 0.3° |
| H9 | C13 | C14 | H10 | 28.8° | 0.0° |
| H9 | C13 | C15 | H11 | 121.7° | 146.4° |
| H9 | C13 | O23 | H16 | 59.1° | 61.2° |
| H10 | C14 | C16 | H12 | 165.3° | 146.4° |
| H10 | C14 | O24 | H17 | 59.2° | 61.1° |
| H11 | C15 | C17 | H13 | 63.3° | 177.7° |
| H13 | C17 | O25 | H18 | 61.5° | 180.0° |
