H9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F26 | C25 | sing | 1.40Å | 1.34Å | |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| F27 | C25 | sing | 1.40Å | 1.33Å | |
| C22 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | C20 | sing | 1.51Å | 1.53Å | |
| C25 | F28 | sing | 1.40Å | 1.34Å | |
| C6 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C8 | sing | 1.48Å | 1.47Å | |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.56Å | |
| C5 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| N24 | C23 | sing | 1.47Å | 1.30Å | |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C23 | sing | 1.53Å | 1.55Å | |
| C1 | N4 | sing | 1.47Å | 1.46Å | |
| O13 | C11 | doub | 1.21Å | 1.24Å | |
| N4 | C11 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| N14 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| N24 | H16 | sing | 1.01Å | 1.00Å | |
| N24 | H17 | sing | 1.01Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| N14 | H21 | sing | 1.01Å | 1.00Å | |
| N14 | H22 | sing | 1.01Å | 1.00Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F26 | C25 | F27 | 108.4° | 109.5° |
| F26 | C25 | C20 | 109.4° | 109.5° |
| F26 | C25 | F28 | 108.8° | 109.4° |
| C22 | C21 | C20 | 120.2° | 120.1° |
| C21 | C22 | C17 | 121.0° | 119.8° |
| C22 | C21 | H6 | 119.9° | 119.9° |
| C21 | C22 | H7 | 119.5° | 120.0° |
| C21 | C20 | C25 | 121.1° | 119.9° |
| C21 | C20 | C19 | 119.1° | 120.2° |
| C20 | C21 | H6 | 119.9° | 120.0° |
| F27 | C25 | C20 | 110.1° | 109.5° |
| F27 | C25 | F28 | 108.4° | 109.5° |
| C22 | C17 | C8 | 121.7° | 120.1° |
| C22 | C17 | C18 | 117.8° | 119.8° |
| C17 | C22 | H7 | 119.5° | 120.1° |
| C6 | C7 | C8 | 120.9° | 119.9° |
| C7 | C6 | C5 | 122.1° | 120.1° |
| C7 | C6 | H1 | 118.9° | 120.0° |
| C6 | C7 | H2 | 119.6° | 120.0° |
| C7 | C8 | C17 | 123.4° | 120.2° |
| C7 | C8 | C9 | 116.6° | 119.7° |
| C8 | C7 | H2 | 119.6° | 120.0° |
| C20 | C25 | F28 | 111.6° | 109.5° |
| C25 | C20 | C19 | 119.8° | 119.9° |
| C6 | C5 | C2 | 120.9° | 119.9° |
| C6 | C5 | C10 | 116.0° | 120.2° |
| C5 | C6 | H1 | 118.9° | 119.9° |
| C20 | C19 | C18 | 120.8° | 120.1° |
| C20 | C19 | H8 | 119.6° | 119.9° |
| C8 | C17 | C18 | 120.5° | 120.2° |
| C17 | C8 | C9 | 120.0° | 120.1° |
| C17 | C18 | C19 | 121.2° | 119.9° |
| C17 | C18 | H9 | 119.4° | 120.1° |
| C8 | C9 | C10 | 122.1° | 119.9° |
| C8 | C9 | H10 | 119.0° | 120.0° |
| C18 | C19 | H8 | 119.6° | 120.0° |
| C19 | C18 | H9 | 119.4° | 120.0° |
| C2 | C5 | C10 | 123.1° | 119.9° |
| C5 | C2 | C3 | 118.9° | 117.4° |
| C5 | C2 | C1 | 126.9° | 117.5° |
| C5 | C2 | H11 | 113.3° | 115.6° |
| C5 | C10 | C9 | 122.3° | 120.2° |
| C5 | C10 | H3 | 118.8° | 119.9° |
| C3 | C2 | C1 | 60.1° | 60.0° |
| C2 | C3 | C1 | 61.3° | 60.0° |
| C3 | C2 | H11 | 113.9° | 117.5° |
| C2 | C3 | H12 | 119.8° | 117.5° |
| C2 | C3 | H13 | 119.8° | 117.6° |
| C2 | C1 | C3 | 58.6° | 60.0° |
| C2 | C1 | C23 | 124.7° | 117.5° |
| C2 | C1 | N4 | 122.8° | 117.5° |
| C1 | C2 | H11 | 113.2° | 117.5° |
| N24 | C23 | C1 | 113.6° | 109.5° |
| N24 | C23 | H14 | 108.5° | 109.4° |
| N24 | C23 | H15 | 108.4° | 109.5° |
| C23 | N24 | H16 | 109.5° | 111.0° |
| C23 | N24 | H17 | 109.5° | 111.0° |
| C9 | C10 | H3 | 118.9° | 119.9° |
| C10 | C9 | H10 | 118.9° | 120.1° |
| C3 | C1 | C23 | 114.3° | 117.5° |
| C3 | C1 | N4 | 116.5° | 117.4° |
| C1 | C3 | H12 | 119.8° | 117.4° |
| C1 | C3 | H13 | 119.8° | 117.5° |
| C23 | C1 | N4 | 109.3° | 115.6° |
| C1 | C23 | H14 | 108.4° | 109.5° |
| C1 | C23 | H15 | 108.4° | 109.5° |
| C1 | N4 | C11 | 125.4° | 120.0° |
| C1 | N4 | H19 | 117.3° | 120.0° |
| O13 | C11 | N4 | 124.0° | 120.0° |
| O13 | C11 | C12 | 119.9° | 120.0° |
| N4 | C11 | C12 | 116.0° | 120.0° |
| C11 | N4 | H19 | 117.3° | 120.0° |
| C11 | C12 | N14 | 112.4° | 109.5° |
| C11 | C12 | C15 | 110.4° | 109.4° |
| C11 | C12 | H20 | 108.0° | 109.5° |
| N14 | C12 | C15 | 109.3° | 109.5° |
| N14 | C12 | H20 | 108.8° | 109.4° |
| C12 | N14 | H21 | 109.5° | 111.0° |
| C12 | N14 | H22 | 109.5° | 111.0° |
| C12 | C15 | C16 | 111.4° | 109.5° |
| C12 | C15 | H4 | 109.0° | 109.5° |
| C12 | C15 | H5 | 109.0° | 109.5° |
| C15 | C12 | H20 | 107.9° | 109.5° |
| C16 | C15 | H4 | 109.0° | 109.4° |
| C16 | C15 | H5 | 109.0° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C15 | C16 | H26 | 109.4° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 115.6° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | N24 | H17 | 109.5° | 111.0° |
| H21 | N14 | H22 | 109.5° | 111.0° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H26 | 109.4° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F26 | C25 | C20 | C21 | 84.6° | 29.7° |
| F26 | C25 | F27 | C20 | 119.7° | 120.0° |
| F26 | C25 | F27 | F28 | 118.0° | 120.0° |
| F26 | C25 | C20 | F28 | 120.4° | 120.0° |
| F26 | C25 | C20 | C19 | 93.4° | 150.0° |
| C22 | C21 | C20 | H6 | 180.0° | 180.0° |
| C21 | C22 | C17 | H7 | 180.0° | 179.9° |
| C22 | C21 | C20 | C25 | 179.7° | 179.9° |
| C22 | C21 | C20 | C19 | 2.3° | 0.3° |
| C21 | C22 | C17 | C8 | 178.8° | 180.0° |
| C21 | C22 | C17 | C18 | 2.6° | 0.3° |
| C21 | C20 | C25 | F27 | 34.5° | 149.7° |
| C20 | C21 | C22 | C17 | 2.6° | 0.0° |
| C21 | C20 | C25 | C19 | 177.9° | 179.7° |
| C21 | C20 | C25 | F28 | 155.0° | 90.3° |
| C21 | C20 | C19 | C18 | 2.2° | 0.3° |
| C20 | C21 | C22 | H7 | 177.4° | 180.0° |
| C21 | C20 | C19 | H8 | 177.8° | 180.0° |
| F27 | C25 | C20 | F28 | 120.5° | 120.0° |
| F27 | C25 | C20 | C19 | 147.6° | 30.0° |
| C22 | C17 | C8 | C7 | 34.4° | 0.3° |
| C22 | C17 | C8 | C18 | 178.6° | 179.7° |
| C22 | C17 | C8 | C9 | 147.2° | 179.7° |
| C22 | C17 | C18 | C19 | 2.5° | 0.3° |
| C17 | C22 | C21 | H6 | 177.4° | 180.0° |
| C22 | C17 | C18 | H9 | 177.6° | 179.7° |
| C6 | C7 | C8 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | C7 | C8 | C17 | 179.5° | 180.0° |
| C6 | C7 | C8 | C9 | 1.0° | 0.1° |
| C7 | C6 | C5 | C2 | 179.3° | 180.0° |
| C7 | C6 | C5 | C10 | 1.4° | 0.2° |
| C8 | C7 | C6 | C5 | 0.5° | 0.1° |
| C7 | C8 | C17 | C9 | 178.4° | 179.9° |
| C7 | C8 | C17 | C18 | 147.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.7° | 0.2° |
| C8 | C7 | C6 | H1 | 179.4° | 180.0° |
| C7 | C8 | C9 | H10 | 178.3° | 180.0° |
| C25 | C20 | C19 | C18 | 179.8° | 179.9° |
| C25 | C20 | C21 | H6 | 0.3° | 0.1° |
| C25 | C20 | C19 | H8 | 0.2° | 0.3° |
| F28 | C25 | C20 | C19 | 27.1° | 90.0° |
| C6 | C5 | C2 | C10 | 179.2° | 179.8° |
| C6 | C5 | C2 | C3 | 133.7° | 8.4° |
| C6 | C5 | C2 | C1 | 153.6° | 60.3° |
| C6 | C5 | C10 | C9 | 0.7° | 0.5° |
| C5 | C6 | C7 | H2 | 179.5° | 180.0° |
| C6 | C5 | C10 | H3 | 179.3° | 179.7° |
| C6 | C5 | C2 | H11 | 4.2° | 154.0° |
| C20 | C19 | C18 | C17 | 2.3° | 0.0° |
| C20 | C19 | C18 | H8 | 180.0° | 179.7° |
| C19 | C20 | C21 | H6 | 177.7° | 179.7° |
| C20 | C19 | C18 | H9 | 177.7° | 180.0° |
| C8 | C17 | C18 | C19 | 178.9° | 180.0° |
| C17 | C8 | C9 | C10 | 179.8° | 179.7° |
| C17 | C8 | C7 | H2 | 0.5° | 0.1° |
| C8 | C17 | C22 | H7 | 1.2° | 0.1° |
| C8 | C17 | C18 | H9 | 1.1° | 0.0° |
| C17 | C8 | C9 | H10 | 0.2° | 0.1° |
| C18 | C17 | C8 | C9 | 31.4° | 0.0° |
| C17 | C18 | C19 | H9 | 180.0° | 179.9° |
| C18 | C17 | C22 | H7 | 177.4° | 179.7° |
| C17 | C18 | C19 | H8 | 177.7° | 179.7° |
| C8 | C9 | C10 | C5 | 0.8° | 0.5° |
| C8 | C9 | C10 | H10 | 180.0° | 179.8° |
| C9 | C8 | C7 | H2 | 178.9° | 180.0° |
| C8 | C9 | C10 | H3 | 179.2° | 179.7° |
| C5 | C2 | C3 | C1 | 118.3° | 107.5° |
| C5 | C2 | C3 | H11 | 137.6° | 145.0° |
| C5 | C2 | C1 | H11 | 149.4° | 145.1° |
| C2 | C5 | C10 | C9 | 180.0° | 179.7° |
| C5 | C2 | C1 | C23 | 155.2° | 145.0° |
| C5 | C2 | C1 | N4 | 2.1° | 0.0° |
| C2 | C5 | C6 | H1 | 0.7° | 0.0° |
| C2 | C5 | C10 | H3 | 0.0° | 0.1° |
| C5 | C2 | C3 | H12 | 131.9° | 145.0° |
| C5 | C2 | C3 | H13 | 8.5° | 0.0° |
| C10 | C5 | C2 | C3 | 45.6° | 171.4° |
| C10 | C5 | C2 | C1 | 27.1° | 120.0° |
| C5 | C10 | C9 | H3 | 180.0° | 179.8° |
| C10 | C5 | C6 | H1 | 178.6° | 179.8° |
| C5 | C10 | C9 | H10 | 179.2° | 179.7° |
| C10 | C5 | C2 | H11 | 176.5° | 25.8° |
| C3 | C2 | C1 | H11 | 105.2° | 107.5° |
| C2 | C3 | C1 | H12 | 109.8° | 107.5° |
| C2 | C3 | C1 | H13 | 109.8° | 107.5° |
| C3 | C2 | C1 | C23 | 99.4° | 107.5° |
| C3 | C2 | C1 | N4 | 103.3° | 107.4° |
| C2 | C3 | H12 | H13 | 144.0° | 145.8° |
| C2 | C1 | C23 | N24 | 24.2° | 180.0° |
| C2 | C1 | C23 | N4 | 159.9° | 145.7° |
| C2 | C1 | N4 | C11 | 77.4° | 66.0° |
| C2 | C1 | C23 | H14 | 96.5° | 60.1° |
| C2 | C1 | C23 | H15 | 144.8° | 60.0° |
| C2 | C1 | N4 | H19 | 102.6° | 114.0° |
| N24 | C23 | C1 | C3 | 43.3° | 111.4° |
| N24 | C23 | C1 | H14 | 120.6° | 119.9° |
| N24 | C23 | C1 | H15 | 120.6° | 120.0° |
| N24 | C23 | C1 | N4 | 175.9° | 34.3° |
| N24 | C23 | H14 | H15 | 118.1° | 120.0° |
| C23 | N24 | H16 | H17 | 120.0° | 124.0° |
| C3 | C1 | C23 | N4 | 132.6° | 145.7° |
| C3 | C1 | N4 | C11 | 145.6° | 134.6° |
| C1 | C3 | H12 | H13 | 144.0° | 145.7° |
| C3 | C1 | C23 | H14 | 163.9° | 128.7° |
| C3 | C1 | C23 | H15 | 77.3° | 8.7° |
| C3 | C1 | N4 | H19 | 34.4° | 45.4° |
| C23 | C1 | N4 | C11 | 83.0° | 79.7° |
| C23 | C1 | C2 | H11 | 5.8° | 0.0° |
| C23 | C1 | C3 | H12 | 7.3° | 0.0° |
| C23 | C1 | C3 | H13 | 133.0° | 145.0° |
| C1 | C23 | H14 | H15 | 118.1° | 120.0° |
| C1 | C23 | N24 | H16 | 180.0° | 61.1° |
| C1 | C23 | N24 | H17 | 60.0° | 174.9° |
| C23 | C1 | N4 | H19 | 97.0° | 100.2° |
| C1 | N4 | C11 | O13 | 2.2° | 4.9° |
| C1 | N4 | C11 | H19 | 180.0° | 180.0° |
| C1 | N4 | C11 | C12 | 173.4° | 175.2° |
| N4 | C1 | C2 | H11 | 151.5° | 145.1° |
| N4 | C1 | C3 | H12 | 136.4° | 145.0° |
| N4 | C1 | C3 | H13 | 4.0° | 0.0° |
| N4 | C1 | C23 | H14 | 63.5° | 85.6° |
| N4 | C1 | C23 | H15 | 55.3° | 154.3° |
| O13 | C11 | N4 | C12 | 175.6° | 179.9° |
| O13 | C11 | C12 | N14 | 42.9° | 19.9° |
| O13 | C11 | C12 | C15 | 79.4° | 100.1° |
| O13 | C11 | N4 | H19 | 177.8° | 175.1° |
| O13 | C11 | C12 | H20 | 162.9° | 139.9° |
| N4 | C11 | C12 | N14 | 141.3° | 160.0° |
| N4 | C11 | C12 | C15 | 96.3° | 80.0° |
| N4 | C11 | C12 | H20 | 21.3° | 40.0° |
| C11 | C12 | N14 | C15 | 122.9° | 120.0° |
| C11 | C12 | N14 | H20 | 119.5° | 120.0° |
| C11 | C12 | C15 | H20 | 117.7° | 120.0° |
| C11 | C12 | C15 | C16 | 177.3° | 175.0° |
| C11 | C12 | C15 | H4 | 62.4° | 65.0° |
| C11 | C12 | C15 | H5 | 57.0° | 55.0° |
| C12 | C11 | N4 | H19 | 6.6° | 4.8° |
| C11 | C12 | N14 | H21 | 180.0° | 60.0° |
| C11 | C12 | N14 | H22 | 60.0° | 176.0° |
| N14 | C12 | C15 | H20 | 118.1° | 120.0° |
| N14 | C12 | C15 | C16 | 58.6° | 65.0° |
| N14 | C12 | C15 | H4 | 61.7° | 54.9° |
| N14 | C12 | C15 | H5 | 178.9° | 175.0° |
| C12 | N14 | H21 | H22 | 120.0° | 124.0° |
| C12 | C15 | C16 | H4 | 120.3° | 120.0° |
| C12 | C15 | C16 | H5 | 120.3° | 120.0° |
| C12 | C15 | H4 | H5 | 119.1° | 120.0° |
| C15 | C12 | N14 | H21 | 57.0° | 60.0° |
| C15 | C12 | N14 | H22 | 177.1° | 64.0° |
| C12 | C15 | C16 | H24 | 180.0° | 60.0° |
| C12 | C15 | C16 | H25 | 60.0° | 180.0° |
| C12 | C15 | C16 | H26 | 60.0° | 60.0° |
| C16 | C15 | H4 | H5 | 119.1° | 120.0° |
| C16 | C15 | C12 | H20 | 59.5° | 55.0° |
| C15 | C16 | H24 | H25 | 120.0° | 120.0° |
| C15 | C16 | H24 | H26 | 120.0° | 120.0° |
| C15 | C16 | H25 | H26 | 120.0° | 120.0° |
| H1 | C6 | C7 | H2 | 0.5° | 0.0° |
| H3 | C10 | C9 | H10 | 0.8° | 0.1° |
| H4 | C15 | C12 | H20 | 179.8° | 174.9° |
| H4 | C15 | C16 | H24 | 59.7° | 60.0° |
| H4 | C15 | C16 | H25 | 179.7° | 60.0° |
| H4 | C15 | C16 | H26 | 60.3° | 180.0° |
| H5 | C15 | C12 | H20 | 60.8° | 65.0° |
| H5 | C15 | C16 | H24 | 59.7° | 180.0° |
| H5 | C15 | C16 | H25 | 60.3° | 60.1° |
| H5 | C15 | C16 | H26 | 179.7° | 60.0° |
| H6 | C21 | C22 | H7 | 2.6° | 0.0° |
| H8 | C19 | C18 | H9 | 2.3° | 0.2° |
| H11 | C2 | C3 | H12 | 5.7° | 0.1° |
| H11 | C2 | C3 | H13 | 146.1° | 145.0° |
| H14 | C23 | N24 | H16 | 59.4° | 58.8° |
| H14 | C23 | N24 | H17 | 60.6° | 65.2° |
| H15 | C23 | N24 | H16 | 59.4° | 178.8° |
| H15 | C23 | N24 | H17 | 179.4° | 54.9° |
| H20 | C12 | N14 | H21 | 60.5° | 180.0° |
| H20 | C12 | N14 | H22 | 59.5° | 56.0° |
| H24 | C16 | H25 | H26 | 120.0° | 120.0° |
