F80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C4 | sing | 1.47Å | 1.46Å | |
| N2 | C5 | sing | 1.38Å | 1.40Å | |
| C3 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C20 | doub | 1.32Å | 1.32Å | Aromatic |
| N4 | C16 | sing | 1.47Å | 1.45Å | |
| N4 | C15 | sing | 1.47Å | 1.46Å | |
| N1 | C20 | sing | 1.32Å | 1.32Å | Aromatic |
| C16 | C17 | sing | 1.50Å | 1.51Å | |
| C20 | N5 | sing | 1.39Å | 1.38Å | |
| C17 | C12 | doub | 1.31Å | 1.35Å | |
| N5 | C6 | sing | 1.40Å | 1.40Å | |
| C7 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C19 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | sing | 1.50Å | 1.52Å | |
| C19 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | O1 | sing | 1.36Å | 1.38Å | |
| O1 | C10 | sing | 1.43Å | 1.42Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| N5 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| N4 | H19 | sing | 1.01Å | 1.00Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N2 | C5 | 119.8° | 120.0° |
| C4 | N2 | H5 | 106.8° | 120.0° |
| N2 | C4 | H6 | 109.5° | 109.5° |
| N2 | C4 | H7 | 109.4° | 109.5° |
| N2 | C4 | H8 | 109.5° | 109.4° |
| N2 | C5 | C3 | 120.3° | 120.5° |
| N2 | C5 | N3 | 118.0° | 120.5° |
| C5 | N2 | H5 | 106.8° | 120.0° |
| C5 | C3 | C1 | 115.8° | 118.5° |
| C3 | C5 | N3 | 121.7° | 119.0° |
| C5 | C3 | H4 | 122.1° | 120.7° |
| C3 | C1 | C2 | 122.1° | 120.4° |
| C3 | C1 | N1 | 121.7° | 119.3° |
| C1 | C3 | H4 | 122.1° | 120.8° |
| C5 | N3 | C20 | 117.8° | 120.6° |
| C2 | C1 | N1 | 116.2° | 120.3° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | N1 | C20 | 117.5° | 120.9° |
| N3 | C20 | N1 | 125.4° | 121.6° |
| N3 | C20 | N5 | 119.1° | 119.2° |
| C16 | N4 | C15 | 109.8° | 109.4° |
| N4 | C16 | C17 | 113.1° | 110.8° |
| N4 | C16 | H17 | 108.6° | 109.2° |
| N4 | C16 | H18 | 108.5° | 109.2° |
| C16 | N4 | H19 | 109.4° | 111.0° |
| N4 | C15 | C14 | 112.1° | 109.9° |
| C15 | N4 | H19 | 109.4° | 111.0° |
| N4 | C15 | H21 | 108.8° | 109.4° |
| N4 | C15 | H22 | 108.8° | 109.4° |
| N1 | C20 | N5 | 115.5° | 119.2° |
| C16 | C17 | C12 | 127.2° | 123.4° |
| C16 | C17 | H16 | 116.4° | 118.3° |
| C17 | C16 | H17 | 108.6° | 109.3° |
| C17 | C16 | H18 | 108.6° | 109.2° |
| C20 | N5 | C6 | 132.4° | 120.0° |
| C20 | N5 | H9 | 113.8° | 120.0° |
| C17 | C12 | C19 | 119.9° | 117.9° |
| C17 | C12 | C13 | 121.2° | 124.1° |
| C12 | C17 | H16 | 116.4° | 118.3° |
| N5 | C6 | C7 | 121.6° | 120.0° |
| N5 | C6 | C8 | 119.5° | 119.9° |
| C6 | N5 | H9 | 113.8° | 120.0° |
| C6 | C7 | C19 | 120.7° | 119.8° |
| C7 | C6 | C8 | 118.9° | 120.1° |
| C6 | C7 | H15 | 119.7° | 120.1° |
| C7 | C19 | C12 | 119.2° | 120.1° |
| C7 | C19 | C11 | 119.9° | 119.8° |
| C19 | C7 | H15 | 119.7° | 120.1° |
| C6 | C8 | C9 | 120.9° | 120.3° |
| C6 | C8 | H10 | 119.5° | 119.9° |
| C15 | C14 | C13 | 113.4° | 108.5° |
| C14 | C15 | H21 | 108.8° | 109.3° |
| C14 | C15 | H22 | 108.8° | 109.3° |
| C15 | C14 | H23 | 108.5° | 109.7° |
| C15 | C14 | H24 | 108.4° | 109.7° |
| C19 | C12 | C13 | 118.9° | 118.0° |
| C12 | C19 | C11 | 121.0° | 120.1° |
| C12 | C13 | C14 | 113.9° | 110.9° |
| C12 | C13 | H25 | 108.4° | 109.2° |
| C12 | C13 | H26 | 108.4° | 109.2° |
| C19 | C11 | C9 | 118.9° | 119.9° |
| C19 | C11 | O1 | 120.0° | 120.1° |
| C8 | C9 | C11 | 120.8° | 120.2° |
| C9 | C8 | H10 | 119.5° | 119.9° |
| C8 | C9 | H11 | 119.6° | 119.9° |
| C13 | C14 | H23 | 108.5° | 109.6° |
| C13 | C14 | H24 | 108.5° | 109.6° |
| C14 | C13 | H25 | 108.4° | 109.3° |
| C14 | C13 | H26 | 108.4° | 109.1° |
| C9 | C11 | O1 | 121.1° | 120.1° |
| C11 | C9 | H11 | 119.6° | 119.9° |
| C11 | O1 | C10 | 117.4° | 117.0° |
| O1 | C10 | H12 | 109.5° | 109.5° |
| O1 | C10 | H13 | 109.5° | 109.5° |
| O1 | C10 | H14 | 109.4° | 109.4° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.4° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H12 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.2° |
| H21 | C15 | H22 | 109.5° | 109.3° |
| H23 | C14 | H24 | 109.5° | 109.7° |
| H25 | C13 | H26 | 109.4° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N2 | C5 | H5 | 121.5° | 179.9° |
| C4 | N2 | C5 | C3 | 179.9° | 0.1° |
| C4 | N2 | C5 | N3 | 0.2° | 180.0° |
| N2 | C4 | H6 | H7 | 120.0° | 120.0° |
| N2 | C4 | H6 | H8 | 120.0° | 120.0° |
| N2 | C4 | H7 | H8 | 120.0° | 120.0° |
| N2 | C5 | C3 | N3 | 179.9° | 179.9° |
| N2 | C5 | C3 | C1 | 179.9° | 180.0° |
| N2 | C5 | N3 | C20 | 180.0° | 179.8° |
| N2 | C5 | C3 | H4 | 0.1° | 0.2° |
| C5 | N2 | C4 | H6 | 180.0° | 179.9° |
| C5 | N2 | C4 | H7 | 60.0° | 60.0° |
| C5 | N2 | C4 | H8 | 60.0° | 60.1° |
| C5 | C3 | C1 | H4 | 180.0° | 179.9° |
| C5 | C3 | C1 | C2 | 179.9° | 179.9° |
| C5 | C3 | C1 | N1 | 0.0° | 0.1° |
| C3 | C5 | N3 | C20 | 0.1° | 0.3° |
| C3 | C5 | N2 | H5 | 58.5° | 180.0° |
| C1 | C3 | C5 | N3 | 0.0° | 0.1° |
| C3 | C1 | C2 | N1 | 179.9° | 179.8° |
| C3 | C1 | N1 | C20 | 0.1° | 0.1° |
| C3 | C1 | C2 | H1 | 179.9° | 90.2° |
| C3 | C1 | C2 | H2 | 60.1° | 29.8° |
| C3 | C1 | C2 | H3 | 59.9° | 149.8° |
| C5 | N3 | C20 | N1 | 0.2° | 0.3° |
| C5 | N3 | C20 | N5 | 180.0° | 179.7° |
| N3 | C5 | C3 | H4 | 180.0° | 180.0° |
| N3 | C5 | N2 | H5 | 121.6° | 0.1° |
| C2 | C1 | N1 | C20 | 180.0° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | C3 | H4 | 0.1° | 0.1° |
| C1 | N1 | C20 | N3 | 0.3° | 0.1° |
| C1 | N1 | C20 | N5 | 180.0° | 180.0° |
| N1 | C1 | C2 | H1 | 0.0° | 90.0° |
| N1 | C1 | C2 | H2 | 120.0° | 150.0° |
| N1 | C1 | C2 | H3 | 120.0° | 30.1° |
| N1 | C1 | C3 | H4 | 180.0° | 179.7° |
| N3 | C20 | N1 | N5 | 179.8° | 180.0° |
| N3 | C20 | N5 | C6 | 10.5° | 5.5° |
| N3 | C20 | N5 | H9 | 169.5° | 174.5° |
| C16 | N4 | C15 | H19 | 120.0° | 122.8° |
| N4 | C16 | C17 | H17 | 120.6° | 120.4° |
| N4 | C16 | C17 | H18 | 120.5° | 120.3° |
| N4 | C16 | C17 | C12 | 58.8° | 51.4° |
| C16 | N4 | C15 | C14 | 79.0° | 33.0° |
| N4 | C16 | C17 | H16 | 121.2° | 128.5° |
| N4 | C16 | H17 | H18 | 118.3° | 119.3° |
| C16 | N4 | C15 | H21 | 41.4° | 153.1° |
| C16 | N4 | C15 | H22 | 160.6° | 87.1° |
| C15 | N4 | C16 | C17 | 82.5° | 93.2° |
| N4 | C15 | C14 | H21 | 120.4° | 120.2° |
| N4 | C15 | C14 | H22 | 120.4° | 120.2° |
| N4 | C15 | C14 | C13 | 75.0° | 60.5° |
| C15 | N4 | C16 | H17 | 156.9° | 146.4° |
| C15 | N4 | C16 | H18 | 38.0° | 27.0° |
| N4 | C15 | H21 | H22 | 118.8° | 119.8° |
| N4 | C15 | C14 | H23 | 164.5° | 179.8° |
| N4 | C15 | C14 | H24 | 45.6° | 59.2° |
| N1 | C20 | N5 | C6 | 169.3° | 174.5° |
| N1 | C20 | N5 | H9 | 10.7° | 5.5° |
| C16 | C17 | C12 | H16 | 180.0° | 179.9° |
| C16 | C17 | C12 | C19 | 179.6° | 175.8° |
| C16 | C17 | C12 | C13 | 1.1° | 3.9° |
| C17 | C16 | H17 | H18 | 118.4° | 119.4° |
| C17 | C16 | N4 | H19 | 157.4° | 29.6° |
| C20 | N5 | C6 | H9 | 180.0° | 180.0° |
| C20 | N5 | C6 | C7 | 154.1° | 33.9° |
| C20 | N5 | C6 | C8 | 25.9° | 146.5° |
| C17 | C12 | C19 | C7 | 113.8° | 105.3° |
| C17 | C12 | C19 | C13 | 178.5° | 179.7° |
| C17 | C12 | C19 | C11 | 66.8° | 75.2° |
| C17 | C12 | C13 | C14 | 54.9° | 29.4° |
| C12 | C17 | C16 | H17 | 179.4° | 171.7° |
| C12 | C17 | C16 | H18 | 61.7° | 68.9° |
| C17 | C12 | C13 | H25 | 175.5° | 149.8° |
| C17 | C12 | C13 | H26 | 65.8° | 90.8° |
| N5 | C6 | C7 | C8 | 180.0° | 179.7° |
| N5 | C6 | C7 | C19 | 179.7° | 179.7° |
| N5 | C6 | C8 | C9 | 179.8° | 180.0° |
| N5 | C6 | C8 | H10 | 0.2° | 0.1° |
| N5 | C6 | C7 | H15 | 0.3° | 0.0° |
| C6 | C7 | C19 | H15 | 180.0° | 179.7° |
| C6 | C7 | C19 | C12 | 179.7° | 180.0° |
| C6 | C7 | C19 | C11 | 0.2° | 0.6° |
| C7 | C6 | C8 | C9 | 0.1° | 0.4° |
| C7 | C6 | N5 | H9 | 25.9° | 146.1° |
| C7 | C6 | C8 | H10 | 179.9° | 179.7° |
| C19 | C7 | C6 | C8 | 0.3° | 0.6° |
| C7 | C19 | C12 | C11 | 179.4° | 179.5° |
| C7 | C19 | C12 | C13 | 67.7° | 75.0° |
| C7 | C19 | C11 | C9 | 0.1° | 0.3° |
| C7 | C19 | C11 | O1 | 179.9° | 179.7° |
| C6 | C8 | C9 | H10 | 180.0° | 179.9° |
| C6 | C8 | C9 | C11 | 0.0° | 0.1° |
| C8 | C6 | N5 | H9 | 154.1° | 33.6° |
| C6 | C8 | C9 | H11 | 180.0° | 180.0° |
| C8 | C6 | C7 | H15 | 179.7° | 179.7° |
| C15 | C14 | C13 | C12 | 74.5° | 88.8° |
| C15 | C14 | C13 | H23 | 120.6° | 119.8° |
| C15 | C14 | C13 | H24 | 120.6° | 119.7° |
| C14 | C15 | N4 | H19 | 160.9° | 89.8° |
| C14 | C15 | H21 | H22 | 118.8° | 119.7° |
| C15 | C14 | H23 | H24 | 118.2° | 120.6° |
| C15 | C14 | C13 | H25 | 164.8° | 150.8° |
| C15 | C14 | C13 | H26 | 46.1° | 31.4° |
| C19 | C12 | C13 | C14 | 126.6° | 150.3° |
| C12 | C19 | C11 | C9 | 179.5° | 179.7° |
| C12 | C19 | C11 | O1 | 0.5° | 0.2° |
| C12 | C19 | C7 | H15 | 0.4° | 0.3° |
| C19 | C12 | C17 | H16 | 0.4° | 4.4° |
| C19 | C12 | C13 | H25 | 6.0° | 29.9° |
| C19 | C12 | C13 | H26 | 112.7° | 89.5° |
| C13 | C12 | C19 | C11 | 111.7° | 104.5° |
| C12 | C13 | C14 | H25 | 120.7° | 120.4° |
| C12 | C13 | C14 | H26 | 120.7° | 120.3° |
| C13 | C12 | C17 | H16 | 178.9° | 176.0° |
| C12 | C13 | C14 | H23 | 164.9° | 151.4° |
| C12 | C13 | C14 | H24 | 46.0° | 30.9° |
| C12 | C13 | H25 | H26 | 118.0° | 119.4° |
| C19 | C11 | C9 | C8 | 0.0° | 0.0° |
| C19 | C11 | C9 | O1 | 180.0° | 179.9° |
| C19 | C11 | O1 | C10 | 180.0° | 180.0° |
| C19 | C11 | C9 | H11 | 180.0° | 180.0° |
| C11 | C19 | C7 | H15 | 179.8° | 179.7° |
| C8 | C9 | C11 | H11 | 180.0° | 180.0° |
| C8 | C9 | C11 | O1 | 180.0° | 179.9° |
| C13 | C14 | C15 | H21 | 45.4° | 59.7° |
| C13 | C14 | C15 | H22 | 164.6° | 179.4° |
| C13 | C14 | H23 | H24 | 118.2° | 120.4° |
| C14 | C13 | H25 | H26 | 118.0° | 119.2° |
| C9 | C11 | O1 | C10 | 0.0° | 0.0° |
| C11 | C9 | C8 | H10 | 180.0° | 180.0° |
| O1 | C11 | C9 | H11 | 0.0° | 0.1° |
| C11 | O1 | C10 | H12 | 180.0° | 60.0° |
| C11 | O1 | C10 | H13 | 60.0° | 179.9° |
| C11 | O1 | C10 | H14 | 60.0° | 60.0° |
| O1 | C10 | H12 | H13 | 120.0° | 120.0° |
| O1 | C10 | H12 | H14 | 120.0° | 120.0° |
| O1 | C10 | H13 | H14 | 120.0° | 120.0° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H5 | N2 | C4 | H6 | 58.5° | 0.0° |
| H5 | N2 | C4 | H7 | 61.5° | 120.0° |
| H5 | N2 | C4 | H8 | 178.5° | 120.0° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H10 | C8 | C9 | H11 | 0.0° | 0.1° |
| H12 | C10 | H13 | H14 | 120.0° | 120.0° |
| H16 | C17 | C16 | H17 | 0.6° | 8.1° |
| H16 | C17 | C16 | H18 | 118.3° | 111.2° |
| H17 | C16 | N4 | H19 | 36.8° | 90.8° |
| H18 | C16 | N4 | H19 | 82.1° | 149.9° |
| H19 | N4 | C15 | H21 | 78.7° | 30.3° |
| H19 | N4 | C15 | H22 | 40.6° | 150.1° |
| H21 | C15 | C14 | H23 | 75.2° | 60.1° |
| H21 | C15 | C14 | H24 | 166.0° | 179.3° |
| H22 | C15 | C14 | H23 | 44.1° | 59.6° |
| H22 | C15 | C14 | H24 | 74.8° | 61.0° |
| H23 | C14 | C13 | H25 | 44.2° | 31.0° |
| H23 | C14 | C13 | H26 | 74.4° | 88.4° |
| H24 | C14 | C13 | H25 | 74.7° | 89.5° |
| H24 | C14 | C13 | H26 | 166.7° | 151.2° |
