F8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.34Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.36Å | Aromatic |
| N2 | N1 | doub | 1.29Å | 1.31Å | Aromatic |
| C4 | N | sing | 1.35Å | 1.35Å | Aromatic |
| N1 | N | sing | 1.29Å | 1.34Å | Aromatic |
| N | C5 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N3 | sing | 1.35Å | 1.36Å | |
| C6 | O | doub | 1.21Å | 1.23Å | |
| N3 | C7 | sing | 1.40Å | 1.42Å | |
| C12 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.39Å | |
| N5 | C20 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C13 | sing | 1.33Å | 1.33Å | Aromatic |
| C20 | N4 | sing | 1.31Å | 1.33Å | Aromatic |
| O1 | C13 | sing | 1.35Å | 1.38Å | |
| C13 | C14 | doub | 1.41Å | 1.44Å | Aromatic |
| N4 | C19 | doub | 1.34Å | 1.37Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.37Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.37Å | |
| C17 | O2 | sing | 1.36Å | 1.37Å | |
| O3 | C22 | sing | 1.43Å | 1.43Å | |
| O2 | C21 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C3 | 110.9° | 109.4° |
| C | C1 | C2 | 110.0° | 109.5° |
| C | C1 | H1 | 108.0° | 109.4° |
| C1 | C | H20 | 109.5° | 109.4° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | C | H22 | 109.4° | 109.5° |
| C3 | C1 | C2 | 111.8° | 109.5° |
| C1 | C3 | N2 | 123.5° | 126.7° |
| C1 | C3 | C4 | 128.6° | 126.8° |
| C3 | C1 | H1 | 108.0° | 109.4° |
| C2 | C1 | H1 | 108.0° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| N2 | C3 | C4 | 108.0° | 106.5° |
| C3 | N2 | N1 | 109.0° | 108.9° |
| C3 | C4 | N | 105.1° | 106.2° |
| C3 | C4 | H19 | 127.5° | 126.9° |
| N2 | N1 | N | 107.0° | 110.2° |
| C4 | N | N1 | 111.0° | 108.3° |
| C4 | N | C5 | 129.2° | 125.8° |
| N | C4 | H19 | 127.4° | 127.0° |
| N1 | N | C5 | 119.8° | 125.9° |
| N | C5 | C6 | 107.4° | 109.4° |
| N | C5 | H17 | 110.0° | 109.5° |
| N | C5 | H18 | 110.0° | 109.5° |
| C5 | C6 | N3 | 115.6° | 119.9° |
| C5 | C6 | O | 121.3° | 120.0° |
| C6 | C5 | H17 | 110.0° | 109.5° |
| C6 | C5 | H18 | 110.0° | 109.5° |
| N3 | C6 | O | 123.0° | 120.1° |
| C6 | N3 | C7 | 122.7° | 120.0° |
| C6 | N3 | H23 | 118.6° | 120.1° |
| N3 | C7 | C12 | 118.2° | 120.0° |
| N3 | C7 | C8 | 122.3° | 120.0° |
| C7 | N3 | H23 | 118.7° | 120.0° |
| C7 | C12 | C11 | 120.3° | 120.0° |
| C12 | C7 | C8 | 119.5° | 120.0° |
| C7 | C12 | H8 | 119.8° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.0° |
| C12 | C11 | H7 | 120.1° | 120.0° |
| C11 | C12 | H8 | 119.9° | 119.9° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C7 | C8 | H5 | 119.8° | 120.0° |
| C11 | C10 | C9 | 120.3° | 120.0° |
| C11 | C10 | O1 | 119.7° | 120.0° |
| C10 | C11 | H7 | 120.1° | 120.1° |
| C8 | C9 | C10 | 119.7° | 120.0° |
| C9 | C8 | H5 | 119.8° | 120.0° |
| C8 | C9 | H6 | 120.2° | 120.0° |
| C9 | C10 | O1 | 119.9° | 120.0° |
| C10 | C9 | H6 | 120.1° | 120.0° |
| C10 | O1 | C13 | 118.6° | 118.0° |
| C20 | N5 | C13 | 116.9° | 121.5° |
| N5 | C20 | N4 | 128.3° | 123.0° |
| N5 | C20 | H10 | 115.8° | 118.5° |
| N5 | C13 | O1 | 120.4° | 120.9° |
| N5 | C13 | C14 | 121.9° | 118.3° |
| C20 | N4 | C19 | 114.9° | 120.4° |
| N4 | C20 | H10 | 115.9° | 118.5° |
| O1 | C13 | C14 | 117.8° | 120.9° |
| C13 | C14 | C19 | 115.5° | 118.2° |
| C13 | C14 | C15 | 125.3° | 122.0° |
| N4 | C19 | C14 | 122.5° | 118.7° |
| N4 | C19 | C18 | 118.3° | 121.9° |
| C19 | C14 | C15 | 119.2° | 119.7° |
| C14 | C19 | C18 | 119.2° | 119.4° |
| C14 | C15 | C16 | 120.5° | 119.6° |
| C14 | C15 | H9 | 119.8° | 120.2° |
| C19 | C18 | C17 | 120.6° | 119.7° |
| C19 | C18 | H24 | 119.7° | 120.2° |
| C15 | C16 | C17 | 120.2° | 120.7° |
| C15 | C16 | O3 | 125.0° | 119.7° |
| C16 | C15 | H9 | 119.7° | 120.2° |
| C18 | C17 | C16 | 120.3° | 120.9° |
| C18 | C17 | O2 | 125.0° | 119.6° |
| C17 | C18 | H24 | 119.7° | 120.2° |
| C17 | C16 | O3 | 114.8° | 119.6° |
| C16 | C17 | O2 | 114.7° | 119.5° |
| C16 | O3 | C22 | 117.9° | 117.0° |
| C17 | O2 | C21 | 118.0° | 117.0° |
| O3 | C22 | H14 | 109.5° | 109.5° |
| O3 | C22 | H15 | 109.5° | 109.4° |
| O3 | C22 | H16 | 109.5° | 109.5° |
| O2 | C21 | H11 | 109.5° | 109.5° |
| O2 | C21 | H12 | 109.5° | 109.4° |
| O2 | C21 | H13 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H4 | 109.5° | 109.4° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H11 | C21 | H12 | 109.4° | 109.5° |
| H11 | C21 | H13 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.4° | 109.4° |
| H14 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.4° |
| H17 | C5 | H18 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
| H20 | C | H22 | 109.5° | 109.4° |
| H21 | C | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C3 | C2 | 123.1° | 120.0° |
| C | C1 | C3 | H1 | 118.2° | 119.9° |
| C | C1 | C2 | H1 | 117.7° | 120.0° |
| C | C1 | C3 | N2 | 77.2° | 145.0° |
| C | C1 | C3 | C4 | 102.7° | 34.8° |
| C | C1 | C2 | H2 | 180.0° | 180.0° |
| C | C1 | C2 | H3 | 60.0° | 60.0° |
| C | C1 | C2 | H4 | 60.0° | 60.0° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H22 | 120.0° | 120.0° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| C3 | C1 | C2 | H1 | 118.7° | 120.0° |
| C1 | C3 | N2 | C4 | 179.9° | 179.8° |
| C1 | C3 | N2 | N1 | 180.0° | 180.0° |
| C1 | C3 | C4 | N | 179.9° | 180.0° |
| C3 | C1 | C2 | H2 | 56.3° | 60.0° |
| C3 | C1 | C2 | H3 | 176.4° | 180.0° |
| C3 | C1 | C2 | H4 | 63.7° | 60.0° |
| C1 | C3 | C4 | H19 | 0.1° | 0.0° |
| C3 | C1 | C | H20 | 180.0° | 60.0° |
| C3 | C1 | C | H21 | 60.0° | 180.0° |
| C3 | C1 | C | H22 | 60.0° | 60.0° |
| C2 | C1 | C3 | N2 | 46.0° | 95.0° |
| C2 | C1 | C3 | C4 | 134.1° | 85.3° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H4 | 120.0° | 120.0° |
| C1 | C2 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | C | H20 | 55.8° | 60.0° |
| C2 | C1 | C | H21 | 175.8° | 60.0° |
| C2 | C1 | C | H22 | 64.2° | 180.0° |
| N2 | C3 | C4 | N | 0.0° | 0.3° |
| C3 | N2 | N1 | N | 0.1° | 0.1° |
| N2 | C3 | C1 | H1 | 164.6° | 25.0° |
| N2 | C3 | C4 | H19 | 180.0° | 179.8° |
| C4 | C3 | N2 | N1 | 0.0° | 0.2° |
| C3 | C4 | N | H19 | 180.0° | 180.0° |
| C3 | C4 | N | N1 | 0.1° | 0.2° |
| C3 | C4 | N | C5 | 179.7° | 180.0° |
| C4 | C3 | C1 | H1 | 15.5° | 154.7° |
| N2 | N1 | N | C4 | 0.1° | 0.0° |
| N2 | N1 | N | C5 | 179.8° | 179.9° |
| C4 | N | N1 | C5 | 179.6° | 179.8° |
| C4 | N | C5 | C6 | 65.7° | 125.0° |
| C4 | N | C5 | H17 | 174.7° | 5.0° |
| C4 | N | C5 | H18 | 54.0° | 115.0° |
| N1 | N | C5 | C6 | 113.9° | 54.8° |
| N1 | N | C5 | H17 | 5.8° | 174.8° |
| N1 | N | C5 | H18 | 126.4° | 65.2° |
| N1 | N | C4 | H19 | 179.9° | 179.8° |
| N | C5 | C6 | H17 | 119.7° | 120.0° |
| N | C5 | C6 | H18 | 119.7° | 120.0° |
| N | C5 | C6 | N3 | 175.7° | 180.0° |
| N | C5 | C6 | O | 4.2° | 0.0° |
| N | C5 | H17 | H18 | 121.0° | 120.0° |
| C5 | N | C4 | H19 | 0.3° | 0.0° |
| C5 | C6 | N3 | O | 179.9° | 180.0° |
| C5 | C6 | N3 | C7 | 179.1° | 175.4° |
| C6 | C5 | H17 | H18 | 120.9° | 120.0° |
| C5 | C6 | N3 | H23 | 0.9° | 4.5° |
| C6 | N3 | C7 | H23 | 180.0° | 179.9° |
| C6 | N3 | C7 | C12 | 140.5° | 144.4° |
| C6 | N3 | C7 | C8 | 38.0° | 36.0° |
| N3 | C6 | C5 | H17 | 64.6° | 60.0° |
| N3 | C6 | C5 | H18 | 56.0° | 60.0° |
| O | C6 | N3 | C7 | 0.8° | 4.5° |
| O | C6 | C5 | H17 | 115.5° | 119.9° |
| O | C6 | C5 | H18 | 123.9° | 120.0° |
| O | C6 | N3 | H23 | 179.2° | 175.5° |
| N3 | C7 | C12 | C8 | 178.5° | 179.6° |
| N3 | C7 | C12 | C11 | 178.6° | 179.7° |
| N3 | C7 | C8 | C9 | 178.6° | 179.7° |
| N3 | C7 | C8 | H5 | 1.4° | 0.4° |
| N3 | C7 | C12 | H8 | 1.4° | 0.3° |
| C7 | C12 | C11 | H8 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C7 | C8 | C9 | 0.2° | 0.0° |
| C12 | C7 | C8 | H5 | 179.9° | 180.0° |
| C7 | C12 | C11 | H7 | 179.9° | 180.0° |
| C12 | C7 | N3 | H23 | 39.5° | 35.5° |
| C11 | C12 | C7 | C8 | 0.0° | 0.1° |
| C12 | C11 | C10 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C12 | C11 | C10 | O1 | 179.9° | 180.0° |
| C7 | C8 | C9 | H5 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H6 | 179.9° | 179.9° |
| C8 | C7 | C12 | H8 | 179.9° | 179.9° |
| C8 | C7 | N3 | H23 | 142.0° | 144.1° |
| C11 | C10 | C9 | C8 | 0.0° | 0.1° |
| C11 | C10 | C9 | O1 | 179.7° | 180.0° |
| C11 | C10 | O1 | C13 | 70.2° | 103.6° |
| C11 | C10 | C9 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | H8 | 179.9° | 179.9° |
| C8 | C9 | C10 | H6 | 180.0° | 179.9° |
| C8 | C9 | C10 | O1 | 179.8° | 180.0° |
| C9 | C10 | O1 | C13 | 109.5° | 76.4° |
| C10 | C9 | C8 | H5 | 179.9° | 179.9° |
| C9 | C10 | C11 | H7 | 179.8° | 180.0° |
| C10 | O1 | C13 | N5 | 9.5° | 5.1° |
| C10 | O1 | C13 | C14 | 170.8° | 175.1° |
| O1 | C10 | C9 | H6 | 0.2° | 0.1° |
| O1 | C10 | C11 | H7 | 0.1° | 0.0° |
| N5 | C20 | N4 | H10 | 180.0° | 179.2° |
| C20 | N5 | C13 | O1 | 179.8° | 179.8° |
| C20 | N5 | C13 | C14 | 0.1° | 0.1° |
| N5 | C20 | N4 | C19 | 0.1° | 0.8° |
| C13 | N5 | C20 | N4 | 0.2° | 0.5° |
| N5 | C13 | O1 | C14 | 179.7° | 179.7° |
| N5 | C13 | C14 | C19 | 0.0° | 0.3° |
| N5 | C13 | C14 | C15 | 180.0° | 179.7° |
| C13 | N5 | C20 | H10 | 179.8° | 179.7° |
| C20 | N4 | C19 | C14 | 0.1° | 0.5° |
| C20 | N4 | C19 | C18 | 179.6° | 179.5° |
| O1 | C13 | C14 | C19 | 179.7° | 180.0° |
| O1 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C14 | C19 | N4 | 0.1° | 0.0° |
| C13 | C14 | C19 | C15 | 180.0° | 180.0° |
| C13 | C14 | C19 | C18 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 179.7° | 180.0° |
| C13 | C14 | C15 | H9 | 0.3° | 0.0° |
| N4 | C19 | C14 | C18 | 179.6° | 180.0° |
| N4 | C19 | C14 | C15 | 179.9° | 180.0° |
| N4 | C19 | C18 | C17 | 179.9° | 180.0° |
| C19 | N4 | C20 | H10 | 179.9° | 180.0° |
| N4 | C19 | C18 | H24 | 0.1° | 0.0° |
| C19 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C19 | C18 | C17 | 0.5° | 0.0° |
| C19 | C14 | C15 | H9 | 179.7° | 180.0° |
| C14 | C19 | C18 | H24 | 179.5° | 180.0° |
| C15 | C14 | C19 | C18 | 0.4° | 0.0° |
| C14 | C15 | C16 | H9 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C14 | C15 | C16 | O3 | 179.9° | 179.9° |
| C19 | C18 | C17 | H24 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.6° | 0.0° |
| C19 | C18 | C17 | O2 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C15 | C16 | C17 | O3 | 179.5° | 180.0° |
| C15 | C16 | C17 | O2 | 179.9° | 180.0° |
| C15 | C16 | O3 | C22 | 7.0° | 0.0° |
| C18 | C17 | C16 | O2 | 179.5° | 180.0° |
| C18 | C17 | C16 | O3 | 179.9° | 180.0° |
| C18 | C17 | O2 | C21 | 4.7° | 0.1° |
| C17 | C16 | O3 | C22 | 173.5° | 180.0° |
| C16 | C17 | O2 | C21 | 175.8° | 180.0° |
| C17 | C16 | C15 | H9 | 179.5° | 180.0° |
| C16 | C17 | C18 | H24 | 179.4° | 180.0° |
| O3 | C16 | C17 | O2 | 0.4° | 0.0° |
| O3 | C16 | C15 | H9 | 0.1° | 0.0° |
| C16 | O3 | C22 | H14 | 180.0° | 180.0° |
| C16 | O3 | C22 | H15 | 60.0° | 60.0° |
| C16 | O3 | C22 | H16 | 60.0° | 59.9° |
| C17 | O2 | C21 | H11 | 180.0° | 180.0° |
| C17 | O2 | C21 | H12 | 60.0° | 60.0° |
| C17 | O2 | C21 | H13 | 60.0° | 59.9° |
| O2 | C17 | C18 | H24 | 0.1° | 0.1° |
| O3 | C22 | H14 | H15 | 120.0° | 120.0° |
| O3 | C22 | H14 | H16 | 120.0° | 120.1° |
| O3 | C22 | H15 | H16 | 120.0° | 120.0° |
| O2 | C21 | H11 | H12 | 120.0° | 120.0° |
| O2 | C21 | H11 | H13 | 120.0° | 120.1° |
| O2 | C21 | H12 | H13 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 62.3° | 60.0° |
| H1 | C1 | C2 | H3 | 57.7° | 60.0° |
| H1 | C1 | C2 | H4 | 177.6° | 180.0° |
| H1 | C1 | C | H20 | 61.8° | 179.9° |
| H1 | C1 | C | H21 | 58.2° | 60.1° |
| H1 | C1 | C | H22 | 178.2° | 60.0° |
| H2 | C2 | H3 | H4 | 120.0° | 120.0° |
| H5 | C8 | C9 | H6 | 0.1° | 0.0° |
| H7 | C11 | C12 | H8 | 0.1° | 0.0° |
| H11 | C21 | H12 | H13 | 120.0° | 120.0° |
| H14 | C22 | H15 | H16 | 120.0° | 120.0° |
| H20 | C | H21 | H22 | 120.0° | 120.0° |
