F87
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | trip | 1.17Å | 1.17Å | |
| N2 | C2 | doub | 1.33Å | 1.33Å | Aromatic |
| N2 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.47Å | |
| N5 | C1 | sing | 1.39Å | 1.35Å | |
| N5 | C16 | sing | 1.40Å | 1.41Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| F1 | C20 | sing | 1.35Å | 1.34Å | |
| C7 | N3 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.40Å | 1.41Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C5 | sing | 1.35Å | 1.37Å | |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | O2 | sing | 1.36Å | 1.34Å | |
| C4 | N4 | sing | 1.38Å | 1.38Å | |
| C18 | F2 | sing | 1.35Å | 1.35Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| N4 | C6 | sing | 1.47Å | 1.47Å | |
| N4 | C10 | sing | 1.47Å | 1.47Å | |
| C6 | C15 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.05Å | 1.06Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 178.2° | 180.0° |
| C8 | C9 | H4 | 180.0° | 180.0° |
| C2 | N2 | C1 | 117.8° | 120.9° |
| N2 | C2 | C3 | 122.1° | 118.8° |
| N2 | C2 | H15 | 119.0° | 120.6° |
| N2 | C1 | N5 | 116.7° | 118.9° |
| N2 | C1 | N1 | 124.9° | 122.0° |
| C8 | C7 | N3 | 112.3° | 109.4° |
| C8 | C7 | H2 | 108.8° | 109.5° |
| C8 | C7 | H3 | 108.8° | 109.5° |
| C1 | N5 | C16 | 129.3° | 120.0° |
| N5 | C1 | N1 | 118.3° | 119.1° |
| C1 | N5 | H22 | 115.3° | 119.9° |
| N5 | C16 | C21 | 118.5° | 120.0° |
| N5 | C16 | C17 | 121.1° | 120.0° |
| C16 | N5 | H22 | 115.3° | 120.1° |
| C2 | C3 | N3 | 122.8° | 121.3° |
| C2 | C3 | C4 | 116.5° | 118.9° |
| C3 | C2 | H15 | 119.0° | 120.6° |
| C16 | C21 | C20 | 119.0° | 120.0° |
| C21 | C16 | C17 | 120.3° | 120.0° |
| C16 | C21 | H14 | 120.5° | 119.9° |
| C21 | C20 | F1 | 119.1° | 120.0° |
| C21 | C20 | C19 | 121.9° | 120.0° |
| C20 | C21 | H14 | 120.5° | 120.0° |
| C1 | N1 | C4 | 117.6° | 120.5° |
| C16 | C17 | C18 | 119.0° | 120.0° |
| C16 | C17 | H13 | 120.5° | 120.0° |
| F1 | C20 | C19 | 119.1° | 120.0° |
| C7 | N3 | C3 | 119.1° | 120.9° |
| C7 | N3 | C5 | 118.7° | 120.9° |
| N3 | C7 | H2 | 108.8° | 109.5° |
| N3 | C7 | H3 | 108.8° | 109.5° |
| C20 | C19 | C18 | 117.9° | 120.0° |
| C20 | C19 | O2 | 122.0° | 120.0° |
| N3 | C3 | C4 | 120.7° | 119.8° |
| C3 | N3 | C5 | 122.2° | 118.2° |
| C3 | C4 | N1 | 121.1° | 118.8° |
| C3 | C4 | N4 | 120.2° | 120.3° |
| C17 | C18 | C19 | 121.9° | 120.0° |
| C17 | C18 | F2 | 119.5° | 120.0° |
| C18 | C17 | H13 | 120.5° | 120.0° |
| N1 | C4 | N4 | 118.7° | 120.9° |
| N3 | C5 | O1 | 121.6° | 120.3° |
| N3 | C5 | C6 | 118.3° | 119.4° |
| C18 | C19 | O2 | 120.2° | 120.0° |
| C19 | C18 | F2 | 118.5° | 120.0° |
| C19 | O2 | H23 | 109.5° | 114.0° |
| C4 | N4 | C6 | 120.6° | 112.1° |
| C4 | N4 | C10 | 121.2° | 111.0° |
| O1 | C5 | C6 | 120.1° | 120.3° |
| C5 | C6 | N4 | 115.1° | 110.2° |
| C5 | C6 | C15 | 111.2° | 109.4° |
| C5 | C6 | H1 | 105.6° | 109.3° |
| C6 | N4 | C10 | 118.2° | 111.0° |
| N4 | C6 | C15 | 112.3° | 109.4° |
| N4 | C6 | H1 | 106.1° | 109.2° |
| N4 | C10 | C11 | 115.8° | 109.5° |
| N4 | C10 | H5 | 107.9° | 109.5° |
| N4 | C10 | H6 | 107.9° | 109.5° |
| C15 | C6 | H1 | 105.7° | 109.4° |
| C6 | C15 | H10 | 109.5° | 109.4° |
| C6 | C15 | H11 | 109.5° | 109.5° |
| C6 | C15 | H12 | 109.5° | 109.4° |
| C10 | C11 | C12 | 112.5° | 109.5° |
| C11 | C10 | H5 | 107.9° | 109.4° |
| C11 | C10 | H6 | 107.9° | 109.5° |
| C10 | C11 | H7 | 108.7° | 109.5° |
| C10 | C11 | H8 | 108.7° | 109.5° |
| C11 | C12 | C14 | 112.7° | 109.5° |
| C11 | C12 | C13 | 112.5° | 109.5° |
| C12 | C11 | H7 | 108.7° | 109.5° |
| C12 | C11 | H8 | 108.7° | 109.4° |
| C11 | C12 | H9 | 106.8° | 109.5° |
| C14 | C12 | C13 | 110.6° | 109.4° |
| C14 | C12 | H9 | 107.0° | 109.5° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C12 | C14 | H20 | 109.4° | 109.5° |
| C12 | C14 | H21 | 109.5° | 109.5° |
| C13 | C12 | H9 | 106.9° | 109.5° |
| C12 | C13 | H16 | 109.5° | 109.4° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| C12 | C13 | H18 | 109.4° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.4° |
| H16 | C13 | H18 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H19 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | N3 | 59.0° | 166.4° |
| C9 | C8 | C7 | H2 | 179.5° | 46.4° |
| C9 | C8 | C7 | H3 | 61.4° | 73.6° |
| C2 | N2 | C1 | N5 | 179.1° | 179.9° |
| N2 | C2 | C3 | H15 | 180.0° | 180.0° |
| C2 | N2 | C1 | N1 | 1.3° | 0.0° |
| N2 | C2 | C3 | N3 | 179.7° | 179.9° |
| N2 | C2 | C3 | C4 | 0.0° | 0.1° |
| N2 | C1 | N5 | N1 | 178.0° | 180.0° |
| N2 | C1 | N5 | C16 | 171.8° | 5.6° |
| C1 | N2 | C2 | C3 | 0.8° | 0.0° |
| N2 | C1 | N1 | C4 | 1.0° | 0.1° |
| C1 | N2 | C2 | H15 | 179.2° | 180.0° |
| N2 | C1 | N5 | H22 | 8.2° | 174.4° |
| C8 | C7 | N3 | H2 | 120.4° | 120.0° |
| C8 | C7 | N3 | H3 | 120.4° | 120.0° |
| C8 | C7 | N3 | C3 | 74.7° | 90.0° |
| C8 | C7 | N3 | C5 | 105.8° | 90.0° |
| C8 | C7 | H2 | H3 | 118.7° | 120.0° |
| C7 | C8 | C9 | H4 | 14.9° | 117.1° |
| C1 | N5 | C16 | H22 | 180.0° | 180.0° |
| C1 | N5 | C16 | C21 | 138.1° | 33.7° |
| C1 | N5 | C16 | C17 | 42.9° | 146.7° |
| N5 | C1 | N1 | C4 | 178.7° | 180.0° |
| N5 | C16 | C21 | C17 | 179.0° | 179.6° |
| N5 | C16 | C21 | C20 | 179.4° | 179.8° |
| C16 | N5 | C1 | N1 | 6.2° | 174.4° |
| N5 | C16 | C17 | C18 | 179.9° | 179.7° |
| N5 | C16 | C17 | H13 | 0.1° | 0.4° |
| N5 | C16 | C21 | H14 | 0.6° | 0.3° |
| C2 | C3 | N3 | C7 | 0.4° | 17.7° |
| C2 | C3 | N3 | C4 | 179.7° | 180.0° |
| C2 | C3 | C4 | N1 | 0.4° | 0.2° |
| C2 | C3 | N3 | C5 | 179.0° | 162.4° |
| C2 | C3 | C4 | N4 | 179.6° | 179.7° |
| C16 | C21 | C20 | H14 | 180.0° | 179.9° |
| C16 | C21 | C20 | F1 | 179.6° | 179.9° |
| C16 | C21 | C20 | C19 | 1.1° | 0.1° |
| C21 | C16 | C17 | C18 | 0.9° | 0.1° |
| C21 | C16 | C17 | H13 | 179.1° | 180.0° |
| C21 | C16 | N5 | H22 | 41.9° | 146.3° |
| C20 | C21 | C16 | C17 | 1.6° | 0.1° |
| C21 | C20 | F1 | C19 | 179.3° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C21 | C20 | C19 | O2 | 179.6° | 180.0° |
| C1 | N1 | C4 | C3 | 0.1° | 0.2° |
| C1 | N1 | C4 | N4 | 179.2° | 179.7° |
| N1 | C1 | N5 | H22 | 173.8° | 5.5° |
| C16 | C17 | C18 | H13 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.1° |
| C16 | C17 | C18 | F2 | 179.5° | 180.0° |
| C17 | C16 | C21 | H14 | 178.4° | 180.0° |
| C17 | C16 | N5 | H22 | 137.1° | 33.4° |
| F1 | C20 | C19 | C18 | 179.2° | 179.9° |
| F1 | C20 | C19 | O2 | 0.3° | 0.1° |
| F1 | C20 | C21 | H14 | 0.4° | 0.0° |
| C7 | N3 | C3 | C5 | 179.5° | 180.0° |
| C7 | N3 | C3 | C4 | 179.9° | 162.4° |
| C7 | N3 | C5 | O1 | 7.4° | 1.3° |
| C7 | N3 | C5 | C6 | 171.1° | 178.7° |
| N3 | C7 | H2 | H3 | 118.7° | 120.0° |
| C20 | C19 | C18 | C17 | 0.8° | 0.0° |
| C20 | C19 | C18 | O2 | 179.5° | 180.0° |
| C20 | C19 | C18 | F2 | 180.0° | 180.0° |
| C19 | C20 | C21 | H14 | 178.9° | 180.0° |
| C20 | C19 | O2 | H23 | 180.0° | 90.0° |
| N3 | C3 | C4 | N1 | 179.9° | 179.8° |
| N3 | C3 | C4 | N4 | 0.6° | 0.3° |
| C3 | N3 | C5 | O1 | 173.1° | 178.7° |
| C3 | N3 | C5 | C6 | 8.4° | 1.4° |
| C3 | N3 | C7 | H2 | 164.9° | 30.0° |
| C3 | N3 | C7 | H3 | 45.7° | 150.0° |
| N3 | C3 | C2 | H15 | 0.3° | 0.1° |
| C3 | C4 | N1 | N4 | 179.3° | 179.9° |
| C4 | C3 | N3 | C5 | 0.7° | 17.6° |
| C3 | C4 | N4 | C6 | 11.4° | 35.4° |
| C3 | C4 | N4 | C10 | 167.5° | 160.1° |
| C4 | C3 | C2 | H15 | 180.0° | 179.9° |
| C17 | C18 | C19 | F2 | 179.2° | 180.0° |
| C17 | C18 | C19 | O2 | 179.6° | 180.0° |
| N1 | C4 | N4 | C6 | 169.3° | 144.7° |
| N1 | C4 | N4 | C10 | 11.8° | 20.0° |
| N3 | C5 | O1 | C6 | 178.5° | 180.0° |
| N3 | C5 | C6 | N4 | 17.8° | 35.1° |
| N3 | C5 | C6 | C15 | 111.4° | 155.3° |
| N3 | C5 | C6 | H1 | 134.5° | 85.0° |
| C5 | N3 | C7 | H2 | 14.6° | 150.0° |
| C5 | N3 | C7 | H3 | 133.8° | 30.0° |
| C19 | C18 | C17 | H13 | 179.6° | 180.0° |
| C18 | C19 | O2 | H23 | 0.5° | 90.0° |
| O2 | C19 | C18 | F2 | 0.4° | 0.0° |
| C4 | N4 | C6 | C5 | 19.5° | 50.5° |
| C4 | N4 | C6 | C10 | 179.0° | 124.7° |
| C4 | N4 | C6 | C15 | 109.1° | 170.8° |
| C4 | N4 | C10 | C11 | 84.8° | 66.0° |
| C4 | N4 | C6 | H1 | 136.0° | 69.6° |
| C4 | N4 | C10 | H5 | 36.2° | 54.0° |
| C4 | N4 | C10 | H6 | 154.3° | 174.0° |
| F2 | C18 | C17 | H13 | 0.5° | 0.1° |
| O1 | C5 | C6 | N4 | 163.6° | 145.0° |
| O1 | C5 | C6 | C15 | 67.2° | 24.7° |
| O1 | C5 | C6 | H1 | 47.0° | 95.0° |
| C5 | C6 | N4 | C15 | 128.6° | 120.2° |
| C5 | C6 | N4 | H1 | 116.4° | 120.1° |
| C5 | C6 | N4 | C10 | 159.4° | 175.3° |
| C5 | C6 | C15 | H1 | 114.1° | 119.7° |
| C5 | C6 | C15 | H10 | 180.0° | 60.0° |
| C5 | C6 | C15 | H11 | 60.0° | 180.0° |
| C5 | C6 | C15 | H12 | 60.0° | 60.0° |
| N4 | C6 | C15 | H1 | 115.2° | 119.6° |
| C6 | N4 | C10 | C11 | 96.3° | 59.4° |
| C6 | N4 | C10 | H5 | 142.8° | 179.3° |
| C6 | N4 | C10 | H6 | 24.6° | 60.7° |
| N4 | C6 | C15 | H10 | 49.4° | 60.8° |
| N4 | C6 | C15 | H11 | 169.4° | 59.3° |
| N4 | C6 | C15 | H12 | 70.6° | 179.2° |
| C10 | N4 | C6 | C15 | 72.0° | 64.5° |
| N4 | C10 | C11 | H5 | 120.9° | 120.0° |
| N4 | C10 | C11 | H6 | 120.9° | 120.0° |
| N4 | C10 | C11 | C12 | 160.6° | 180.0° |
| C10 | N4 | C6 | H1 | 43.0° | 55.2° |
| N4 | C10 | H5 | H6 | 117.2° | 120.0° |
| N4 | C10 | C11 | H7 | 79.0° | 60.0° |
| N4 | C10 | C11 | H8 | 40.1° | 60.1° |
| C6 | C15 | H10 | H11 | 120.0° | 120.1° |
| C6 | C15 | H10 | H12 | 120.0° | 120.0° |
| C6 | C15 | H11 | H12 | 120.0° | 120.0° |
| C10 | C11 | C12 | H7 | 120.4° | 120.0° |
| C10 | C11 | C12 | H8 | 120.4° | 120.0° |
| C10 | C11 | C12 | C14 | 167.5° | 175.0° |
| C10 | C11 | C12 | C13 | 66.7° | 65.0° |
| C11 | C10 | H5 | H6 | 117.1° | 120.0° |
| C10 | C11 | H7 | H8 | 118.6° | 120.0° |
| C10 | C11 | C12 | H9 | 50.3° | 55.0° |
| C11 | C12 | C14 | C13 | 126.9° | 120.0° |
| C11 | C12 | C14 | H9 | 117.1° | 120.1° |
| C11 | C12 | C13 | H9 | 116.9° | 120.0° |
| C12 | C11 | C10 | H5 | 39.7° | 60.0° |
| C12 | C11 | C10 | H6 | 78.5° | 60.0° |
| C12 | C11 | H7 | H8 | 118.6° | 119.9° |
| C11 | C12 | C13 | H16 | 180.0° | 60.0° |
| C11 | C12 | C13 | H17 | 60.0° | 180.0° |
| C11 | C12 | C13 | H18 | 60.0° | 60.0° |
| C11 | C12 | C14 | H19 | 180.0° | 60.1° |
| C11 | C12 | C14 | H20 | 60.0° | 180.0° |
| C11 | C12 | C14 | H21 | 60.0° | 60.0° |
| C14 | C12 | C13 | H9 | 116.1° | 120.0° |
| C14 | C12 | C11 | H7 | 72.1° | 65.0° |
| C14 | C12 | C11 | H8 | 47.1° | 55.0° |
| C14 | C12 | C13 | H16 | 53.0° | 59.9° |
| C14 | C12 | C13 | H17 | 173.0° | 60.0° |
| C14 | C12 | C13 | H18 | 67.0° | 180.0° |
| C12 | C14 | H19 | H20 | 120.0° | 120.0° |
| C12 | C14 | H19 | H21 | 120.0° | 120.1° |
| C12 | C14 | H20 | H21 | 120.0° | 120.1° |
| C13 | C12 | C11 | H7 | 53.8° | 55.0° |
| C13 | C12 | C11 | H8 | 172.9° | 175.0° |
| C12 | C13 | H16 | H17 | 120.0° | 120.0° |
| C12 | C13 | H16 | H18 | 120.0° | 120.0° |
| C12 | C13 | H17 | H18 | 120.0° | 120.0° |
| C13 | C12 | C14 | H19 | 53.1° | 180.0° |
| C13 | C12 | C14 | H20 | 66.9° | 60.1° |
| C13 | C12 | C14 | H21 | 173.1° | 60.0° |
| H1 | C6 | C15 | H10 | 65.8° | 179.6° |
| H1 | C6 | C15 | H11 | 54.2° | 60.3° |
| H1 | C6 | C15 | H12 | 174.1° | 59.7° |
| H5 | C10 | C11 | H7 | 160.1° | 60.0° |
| H5 | C10 | C11 | H8 | 80.8° | 180.0° |
| H6 | C10 | C11 | H7 | 42.0° | 180.0° |
| H6 | C10 | C11 | H8 | 161.1° | 60.0° |
| H7 | C11 | C12 | H9 | 170.8° | 175.0° |
| H8 | C11 | C12 | H9 | 70.1° | 65.0° |
| H9 | C12 | C13 | H16 | 63.1° | 179.9° |
| H9 | C12 | C13 | H17 | 56.9° | 60.0° |
| H9 | C12 | C13 | H18 | 176.9° | 60.0° |
| H9 | C12 | C14 | H19 | 62.9° | 60.0° |
| H9 | C12 | C14 | H20 | 177.1° | 59.9° |
| H9 | C12 | C14 | H21 | 57.1° | 180.0° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H16 | C13 | H17 | H18 | 120.0° | 120.1° |
| H19 | C14 | H20 | H21 | 120.0° | 120.0° |
