F48
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | N4 | trip | 1.14Å | 1.15Å | |
| C10 | C11 | doub | 1.35Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C11 | O | sing | 1.34Å | 1.37Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.35Å | Aromatic |
| O | C8 | sing | 1.35Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.45Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C20 | C15 | sing | 1.53Å | 1.52Å | |
| C7 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C7 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | N2 | sing | 1.46Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N3 | C | sing | 1.35Å | 1.39Å | Aromatic |
| N2 | C1 | sing | 1.37Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C | C1 | doub | 1.41Å | 1.40Å | Aromatic |
| C | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | N | doub | 1.31Å | 1.34Å | Aromatic |
| C2 | C5 | sing | 1.46Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.44Å | Aromatic |
| C5 | C6 | doub | 1.34Å | 1.36Å | Aromatic |
| N | C3 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | N1 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 112.4° | 109.5° |
| C13 | C14 | N4 | 177.2° | 180.0° |
| C14 | C13 | H9 | 108.8° | 109.5° |
| C14 | C13 | H10 | 108.7° | 109.5° |
| C13 | C12 | C11 | 115.3° | 109.5° |
| C13 | C12 | H7 | 108.0° | 109.5° |
| C13 | C12 | H8 | 108.0° | 109.5° |
| C12 | C13 | H9 | 108.8° | 109.4° |
| C12 | C13 | H10 | 108.8° | 109.5° |
| C11 | C10 | C9 | 107.2° | 107.1° |
| C10 | C11 | C12 | 137.2° | 125.6° |
| C10 | C11 | O | 109.4° | 108.7° |
| C11 | C10 | H6 | 126.4° | 126.4° |
| C10 | C9 | C8 | 106.8° | 106.7° |
| C10 | C9 | H5 | 126.6° | 126.6° |
| C9 | C10 | H6 | 126.4° | 126.5° |
| C12 | C11 | O | 113.4° | 125.6° |
| C11 | C12 | H7 | 108.0° | 109.4° |
| C11 | C12 | H8 | 108.0° | 109.4° |
| C11 | O | C8 | 107.5° | 109.4° |
| C9 | C8 | O | 109.1° | 108.1° |
| C9 | C8 | C7 | 136.6° | 125.9° |
| C8 | C9 | H5 | 126.6° | 126.6° |
| O | C8 | C7 | 114.3° | 126.0° |
| C8 | C7 | N3 | 122.2° | 125.2° |
| C8 | C7 | N2 | 124.7° | 125.2° |
| C20 | C19 | C18 | 111.0° | 109.4° |
| C19 | C20 | C15 | 109.9° | 109.5° |
| C19 | C20 | H12 | 109.4° | 109.5° |
| C19 | C20 | H13 | 109.3° | 109.4° |
| C20 | C19 | H14 | 109.1° | 109.4° |
| C20 | C19 | H15 | 109.1° | 109.5° |
| C19 | C18 | C17 | 111.2° | 109.5° |
| C18 | C19 | H14 | 109.1° | 109.4° |
| C18 | C19 | H15 | 109.1° | 109.5° |
| C19 | C18 | H16 | 109.0° | 109.5° |
| C19 | C18 | H17 | 109.0° | 109.5° |
| C20 | C15 | N2 | 113.3° | 109.5° |
| C20 | C15 | C16 | 114.3° | 109.5° |
| C20 | C15 | H11 | 104.6° | 109.5° |
| C15 | C20 | H12 | 109.4° | 109.5° |
| C15 | C20 | H13 | 109.4° | 109.5° |
| N3 | C7 | N2 | 113.1° | 109.6° |
| C7 | N3 | C | 104.6° | 109.6° |
| C7 | N2 | C15 | 125.9° | 126.4° |
| C7 | N2 | C1 | 106.7° | 107.2° |
| C18 | C17 | C16 | 111.3° | 109.4° |
| C17 | C18 | H16 | 109.1° | 109.4° |
| C17 | C18 | H17 | 109.0° | 109.4° |
| C18 | C17 | H18 | 109.0° | 109.5° |
| C18 | C17 | H19 | 109.0° | 109.5° |
| N2 | C15 | C16 | 113.7° | 109.5° |
| C15 | N2 | C1 | 127.4° | 126.4° |
| N2 | C15 | H11 | 105.0° | 109.5° |
| C15 | C16 | C17 | 110.0° | 109.5° |
| C16 | C15 | H11 | 104.6° | 109.4° |
| C15 | C16 | H20 | 109.3° | 109.5° |
| C15 | C16 | H21 | 109.3° | 109.5° |
| N3 | C | C1 | 111.4° | 107.1° |
| N3 | C | C4 | 128.0° | 134.0° |
| N2 | C1 | C | 104.1° | 106.5° |
| N2 | C1 | C2 | 136.2° | 135.2° |
| C16 | C17 | H18 | 109.0° | 109.5° |
| C16 | C17 | H19 | 109.0° | 109.4° |
| C17 | C16 | H20 | 109.3° | 109.5° |
| C17 | C16 | H21 | 109.3° | 109.4° |
| C1 | C | C4 | 120.6° | 118.8° |
| C | C1 | C2 | 119.7° | 118.3° |
| C | C4 | N | 123.0° | 121.1° |
| C | C4 | H1 | 118.5° | 119.4° |
| C1 | C2 | C5 | 139.3° | 134.6° |
| C1 | C2 | C3 | 113.6° | 119.1° |
| C4 | N | C3 | 116.1° | 122.4° |
| N | C4 | H1 | 118.5° | 119.4° |
| C5 | C2 | C3 | 107.1° | 106.2° |
| C2 | C5 | C6 | 106.6° | 107.0° |
| C2 | C5 | H2 | 126.7° | 126.5° |
| C2 | C3 | N | 127.0° | 120.2° |
| C2 | C3 | N1 | 106.0° | 107.0° |
| C5 | C6 | N1 | 110.2° | 109.8° |
| C6 | C5 | H2 | 126.7° | 126.5° |
| C5 | C6 | H3 | 124.9° | 125.2° |
| N | C3 | N1 | 127.0° | 132.8° |
| C3 | N1 | C6 | 110.1° | 110.0° |
| C3 | N1 | H4 | 124.9° | 125.0° |
| N1 | C6 | H3 | 124.9° | 125.0° |
| C6 | N1 | H4 | 124.9° | 125.0° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H12 | C20 | H13 | 109.4° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.6° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H9 | 120.5° | 120.0° |
| C14 | C13 | C12 | H10 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 131.7° | 180.0° |
| C14 | C13 | C12 | H7 | 10.9° | 60.0° |
| C14 | C13 | C12 | H8 | 107.4° | 60.0° |
| C14 | C13 | H9 | H10 | 118.7° | 120.1° |
| C12 | C13 | C14 | N4 | 169.5° | 73.5° |
| C13 | C12 | C11 | C10 | 78.9° | 89.9° |
| C13 | C12 | C11 | H7 | 120.8° | 120.0° |
| C13 | C12 | C11 | H8 | 120.8° | 120.1° |
| C13 | C12 | C11 | O | 104.2° | 89.7° |
| C13 | C12 | H7 | H8 | 117.3° | 120.1° |
| C12 | C13 | H9 | H10 | 118.7° | 120.0° |
| N4 | C14 | C13 | H9 | 49.1° | 166.5° |
| N4 | C14 | C13 | H10 | 70.0° | 46.5° |
| C11 | C10 | C9 | H6 | 180.0° | 179.6° |
| C10 | C11 | C12 | O | 177.0° | 179.6° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | O | C8 | 0.1° | 0.4° |
| C11 | C10 | C9 | H5 | 179.6° | 179.9° |
| C10 | C11 | C12 | H7 | 160.3° | 150.0° |
| C10 | C11 | C12 | H8 | 42.0° | 30.1° |
| C9 | C10 | C11 | C12 | 176.8° | 180.0° |
| C9 | C10 | C11 | O | 0.3° | 0.3° |
| C10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | O | 0.3° | 0.2° |
| C10 | C9 | C8 | C7 | 177.6° | 179.9° |
| C12 | C11 | O | C8 | 177.7° | 179.9° |
| C12 | C11 | C10 | H6 | 3.2° | 0.4° |
| C11 | C12 | H7 | H8 | 117.4° | 119.9° |
| C11 | C12 | C13 | H9 | 107.8° | 60.0° |
| C11 | C12 | C13 | H10 | 11.3° | 60.0° |
| C11 | O | C8 | C9 | 0.2° | 0.4° |
| C11 | O | C8 | C7 | 178.2° | 179.9° |
| O | C11 | C10 | H6 | 179.7° | 179.9° |
| O | C11 | C12 | H7 | 16.7° | 30.3° |
| O | C11 | C12 | H8 | 135.0° | 150.3° |
| C9 | C8 | O | C7 | 178.4° | 179.7° |
| C9 | C8 | C7 | N3 | 26.5° | 16.5° |
| C9 | C8 | C7 | N2 | 154.9° | 163.6° |
| C8 | C9 | C10 | H6 | 179.6° | 179.7° |
| O | C8 | C7 | N3 | 155.7° | 163.9° |
| O | C8 | C7 | N2 | 22.9° | 16.0° |
| O | C8 | C9 | H5 | 179.7° | 179.8° |
| C8 | C7 | N3 | N2 | 178.7° | 179.9° |
| C8 | C7 | N2 | C15 | 3.0° | 0.0° |
| C8 | C7 | N3 | C | 178.1° | 180.0° |
| C8 | C7 | N2 | C1 | 178.4° | 180.0° |
| C7 | C8 | C9 | H5 | 2.4° | 0.1° |
| C20 | C19 | C18 | H14 | 120.2° | 119.9° |
| C20 | C19 | C18 | H15 | 120.2° | 120.0° |
| C19 | C20 | C15 | H12 | 120.1° | 120.0° |
| C19 | C20 | C15 | H13 | 120.1° | 119.9° |
| C20 | C19 | C18 | C17 | 57.8° | 60.0° |
| C19 | C20 | C15 | N2 | 173.3° | 180.0° |
| C19 | C20 | C15 | C16 | 54.2° | 60.0° |
| C19 | C20 | C15 | H11 | 59.6° | 59.9° |
| C19 | C20 | H12 | H13 | 119.8° | 120.0° |
| C20 | C19 | H14 | H15 | 119.3° | 120.0° |
| C20 | C19 | C18 | H16 | 62.4° | 59.9° |
| C20 | C19 | C18 | H17 | 178.1° | 180.0° |
| C18 | C19 | C20 | C15 | 55.3° | 60.0° |
| C19 | C18 | C17 | H16 | 120.3° | 120.0° |
| C19 | C18 | C17 | H17 | 120.2° | 120.0° |
| C19 | C18 | C17 | C16 | 57.2° | 60.0° |
| C18 | C19 | C20 | H12 | 175.4° | 60.0° |
| C18 | C19 | C20 | H13 | 64.8° | 180.0° |
| C18 | C19 | H14 | H15 | 119.3° | 120.0° |
| C19 | C18 | H16 | H17 | 119.2° | 120.1° |
| C19 | C18 | C17 | H18 | 177.5° | 180.0° |
| C19 | C18 | C17 | H19 | 63.1° | 59.9° |
| C20 | C15 | N2 | C7 | 109.9° | 120.0° |
| C20 | C15 | N2 | C16 | 132.7° | 120.0° |
| C20 | C15 | N2 | H11 | 113.6° | 120.1° |
| C20 | C15 | C16 | H11 | 113.8° | 120.0° |
| C20 | C15 | N2 | C1 | 68.4° | 59.9° |
| C20 | C15 | C16 | C17 | 53.4° | 60.0° |
| C15 | C20 | H12 | H13 | 119.8° | 120.1° |
| C15 | C20 | C19 | H14 | 175.6° | 180.0° |
| C15 | C20 | C19 | H15 | 64.9° | 59.9° |
| C20 | C15 | C16 | H20 | 173.5° | 180.0° |
| C20 | C15 | C16 | H21 | 66.7° | 60.0° |
| N3 | C7 | N2 | C15 | 178.4° | 179.9° |
| N3 | C7 | N2 | C1 | 0.2° | 0.0° |
| C7 | N3 | C | C1 | 0.8° | 0.0° |
| C7 | N3 | C | C4 | 178.5° | 180.0° |
| C7 | N2 | C15 | C1 | 178.3° | 180.0° |
| C7 | N2 | C15 | C16 | 117.4° | 120.0° |
| N2 | C7 | N3 | C | 0.6° | 0.0° |
| C7 | N2 | C1 | C | 0.3° | 0.0° |
| C7 | N2 | C1 | C2 | 179.3° | 180.0° |
| C7 | N2 | C15 | H11 | 3.7° | 0.0° |
| C18 | C17 | C16 | C15 | 53.5° | 60.0° |
| C18 | C17 | C16 | H18 | 120.3° | 120.0° |
| C18 | C17 | C16 | H19 | 120.3° | 120.0° |
| C17 | C18 | C19 | H14 | 178.1° | 180.0° |
| C17 | C18 | C19 | H15 | 62.4° | 59.9° |
| C17 | C18 | H16 | H17 | 119.2° | 119.9° |
| C18 | C17 | H18 | H19 | 119.2° | 120.0° |
| C18 | C17 | C16 | H20 | 173.6° | 180.0° |
| C18 | C17 | C16 | H21 | 66.6° | 60.0° |
| N2 | C15 | C16 | H11 | 113.9° | 120.0° |
| N2 | C15 | C16 | C17 | 174.4° | 180.0° |
| C15 | N2 | C1 | C | 178.8° | 180.0° |
| C15 | N2 | C1 | C2 | 2.1° | 0.0° |
| N2 | C15 | C20 | H12 | 53.3° | 60.0° |
| N2 | C15 | C20 | H13 | 66.6° | 60.0° |
| N2 | C15 | C16 | H20 | 54.3° | 60.0° |
| N2 | C15 | C16 | H21 | 65.6° | 60.0° |
| C16 | C15 | N2 | C1 | 64.3° | 60.1° |
| C15 | C16 | C17 | H20 | 120.1° | 120.0° |
| C15 | C16 | C17 | H21 | 120.1° | 120.0° |
| C16 | C15 | C20 | H12 | 174.3° | 60.0° |
| C16 | C15 | C20 | H13 | 65.9° | 180.0° |
| C15 | C16 | C17 | H18 | 173.8° | 180.0° |
| C15 | C16 | C17 | H19 | 66.8° | 60.0° |
| C15 | C16 | H20 | H21 | 119.8° | 120.0° |
| N3 | C | C1 | N2 | 0.6° | 0.0° |
| N3 | C | C1 | C4 | 179.3° | 180.0° |
| N3 | C | C1 | C2 | 179.9° | 180.0° |
| N3 | C | C4 | N | 177.9° | 180.0° |
| N3 | C | C4 | H1 | 2.1° | 0.3° |
| N2 | C1 | C | C2 | 179.2° | 180.0° |
| N2 | C1 | C | C4 | 178.7° | 180.0° |
| N2 | C1 | C2 | C5 | 1.0° | 0.0° |
| N2 | C1 | C2 | C3 | 177.1° | 179.8° |
| C1 | N2 | C15 | H11 | 178.0° | 180.0° |
| C17 | C16 | C15 | H11 | 60.4° | 60.0° |
| C16 | C17 | C18 | H16 | 63.1° | 60.0° |
| C16 | C17 | C18 | H17 | 177.4° | 180.0° |
| C16 | C17 | H18 | H19 | 119.1° | 120.0° |
| C17 | C16 | H20 | H21 | 119.8° | 119.9° |
| C1 | C | C4 | N | 1.3° | 0.0° |
| C | C1 | C2 | C5 | 179.9° | 179.9° |
| C | C1 | C2 | C3 | 1.9° | 0.2° |
| C1 | C | C4 | H1 | 178.7° | 179.7° |
| C4 | C | C1 | C2 | 0.6° | 0.0° |
| C | C4 | N | H1 | 180.0° | 179.7° |
| C | C4 | N | C3 | 1.6° | 0.3° |
| C1 | C2 | C5 | C3 | 178.1° | 179.8° |
| C1 | C2 | C5 | C6 | 177.3° | 180.0° |
| C1 | C2 | C3 | N | 1.7° | 0.4° |
| C1 | C2 | C3 | N1 | 178.0° | 179.9° |
| C1 | C2 | C5 | H2 | 2.7° | 0.3° |
| C4 | N | C3 | C2 | 0.0° | 0.5° |
| C4 | N | C3 | N1 | 179.6° | 180.0° |
| C2 | C5 | C6 | H2 | 180.0° | 179.7° |
| C5 | C2 | C3 | N | 179.7° | 179.7° |
| C5 | C2 | C3 | N1 | 0.7° | 0.1° |
| C2 | C5 | C6 | N1 | 0.6° | 0.2° |
| C2 | C5 | C6 | H3 | 179.3° | 179.8° |
| C3 | C2 | C5 | C6 | 0.8° | 0.2° |
| C2 | C3 | N | N1 | 179.6° | 179.5° |
| C2 | C3 | N1 | C6 | 0.3° | 0.0° |
| C3 | C2 | C5 | H2 | 179.2° | 179.9° |
| C2 | C3 | N1 | H4 | 179.7° | 179.9° |
| C5 | C6 | N1 | C3 | 0.2° | 0.2° |
| C5 | C6 | N1 | H3 | 180.0° | 179.9° |
| C5 | C6 | N1 | H4 | 179.7° | 179.9° |
| N | C3 | N1 | C6 | 180.0° | 179.5° |
| C3 | N | C4 | H1 | 178.4° | 180.0° |
| N | C3 | N1 | H4 | 0.1° | 0.4° |
| C3 | N1 | C6 | H4 | 180.0° | 179.9° |
| C3 | N1 | C6 | H3 | 179.8° | 179.9° |
| N1 | C6 | C5 | H2 | 179.3° | 179.9° |
| H2 | C5 | C6 | H3 | 0.7° | 0.1° |
| H3 | C6 | N1 | H4 | 0.3° | 0.0° |
| H5 | C9 | C10 | H6 | 0.4° | 0.3° |
| H7 | C12 | C13 | H9 | 131.3° | 180.0° |
| H7 | C12 | C13 | H10 | 109.5° | 60.0° |
| H8 | C12 | C13 | H9 | 13.1° | 60.0° |
| H8 | C12 | C13 | H10 | 132.2° | 180.0° |
| H11 | C15 | C20 | H12 | 60.5° | 179.9° |
| H11 | C15 | C20 | H13 | 179.7° | 60.0° |
| H11 | C15 | C16 | H20 | 59.6° | 60.0° |
| H11 | C15 | C16 | H21 | 179.5° | 180.0° |
| H12 | C20 | C19 | H14 | 64.3° | 60.0° |
| H12 | C20 | C19 | H15 | 55.2° | 179.9° |
| H13 | C20 | C19 | H14 | 55.5° | 60.1° |
| H13 | C20 | C19 | H15 | 175.0° | 60.0° |
| H14 | C19 | C18 | H16 | 57.8° | 60.0° |
| H14 | C19 | C18 | H17 | 61.7° | 60.1° |
| H15 | C19 | C18 | H16 | 177.4° | 179.9° |
| H15 | C19 | C18 | H17 | 57.9° | 60.0° |
| H16 | C18 | C17 | H18 | 57.2° | 60.0° |
| H16 | C18 | C17 | H19 | 176.6° | 180.0° |
| H17 | C18 | C17 | H18 | 62.3° | 60.0° |
| H17 | C18 | C17 | H19 | 57.1° | 60.0° |
| H18 | C17 | C16 | H20 | 66.1° | 60.0° |
| H18 | C17 | C16 | H21 | 53.7° | 60.0° |
| H19 | C17 | C16 | H20 | 53.3° | 60.0° |
| H19 | C17 | C16 | H21 | 173.1° | 180.0° |
