1H8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C13 | sing | 1.35Å | 1.36Å | |
| C22 | C23 | sing | 1.54Å | 1.51Å | |
| C22 | C19 | sing | 1.53Å | 1.56Å | |
| C13 | C15 | doub | 1.39Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | O24 | sing | 1.43Å | 1.45Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C12 | sing | 1.51Å | 1.55Å | |
| C19 | N21 | sing | 1.46Å | 1.47Å | |
| C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| O24 | C25 | sing | 1.35Å | 1.36Å | |
| C17 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| N21 | C25 | doub | 1.29Å | 1.30Å | |
| C25 | N26 | sing | 1.37Å | 1.36Å | |
| C14 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | N9 | sing | 1.40Å | 1.41Å | |
| O8 | C7 | doub | 1.22Å | 1.21Å | |
| N9 | C7 | sing | 1.35Å | 1.37Å | |
| C7 | C4 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C10 | sing | 1.43Å | 1.45Å | |
| C10 | N11 | trip | 1.14Å | 1.14Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| N26 | H15 | sing | 0.97Å | 1.00Å | |
| N26 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C13 | C15 | 118.9° | 120.0° |
| F18 | C13 | C12 | 119.4° | 120.0° |
| C23 | C22 | C19 | 107.9° | 108.2° |
| C22 | C23 | O24 | 102.5° | 108.0° |
| C22 | C23 | H7 | 111.2° | 109.8° |
| C22 | C23 | H8 | 111.2° | 109.8° |
| C23 | C22 | H13 | 109.9° | 109.7° |
| C23 | C22 | H14 | 109.9° | 109.7° |
| C22 | C19 | C20 | 107.8° | 109.4° |
| C22 | C19 | C12 | 111.5° | 109.5° |
| C22 | C19 | N21 | 108.8° | 109.7° |
| C19 | C22 | H13 | 109.9° | 109.7° |
| C19 | C22 | H14 | 109.9° | 109.8° |
| C15 | C13 | C12 | 121.7° | 120.1° |
| C13 | C15 | C17 | 120.9° | 120.0° |
| C13 | C15 | H5 | 119.6° | 120.0° |
| C13 | C12 | C19 | 123.6° | 120.0° |
| C13 | C12 | C14 | 115.7° | 120.1° |
| C23 | O24 | C25 | 121.2° | 117.4° |
| O24 | C23 | H7 | 111.2° | 109.8° |
| O24 | C23 | H8 | 111.2° | 109.7° |
| C20 | C19 | C12 | 112.2° | 109.4° |
| C20 | C19 | N21 | 106.9° | 109.4° |
| C19 | C20 | H10 | 109.5° | 109.4° |
| C19 | C20 | H11 | 109.4° | 109.5° |
| C19 | C20 | H12 | 109.5° | 109.4° |
| C15 | C17 | C16 | 117.6° | 120.0° |
| C17 | C15 | H5 | 119.6° | 120.0° |
| C15 | C17 | H6 | 121.2° | 120.0° |
| C12 | C19 | N21 | 109.6° | 109.4° |
| C19 | C12 | C14 | 120.8° | 120.0° |
| C19 | N21 | C25 | 120.1° | 123.3° |
| C12 | C14 | C16 | 123.8° | 119.9° |
| C12 | C14 | H4 | 118.1° | 120.1° |
| O24 | C25 | N21 | 123.2° | 123.8° |
| O24 | C25 | N26 | 118.3° | 118.1° |
| C17 | C16 | C14 | 120.2° | 119.9° |
| C17 | C16 | N9 | 124.3° | 120.0° |
| C16 | C17 | H6 | 121.2° | 120.0° |
| N21 | C25 | N26 | 118.5° | 118.1° |
| C25 | N26 | H15 | 120.0° | 120.0° |
| C25 | N26 | H16 | 120.0° | 120.0° |
| C14 | C16 | N9 | 115.2° | 120.1° |
| C16 | C14 | H4 | 118.1° | 120.0° |
| C16 | N9 | C7 | 129.6° | 120.1° |
| C16 | N9 | H9 | 115.2° | 120.0° |
| O8 | C7 | N9 | 123.5° | 120.0° |
| O8 | C7 | C4 | 117.9° | 120.0° |
| N9 | C7 | C4 | 118.6° | 120.0° |
| C7 | N9 | H9 | 115.2° | 120.0° |
| C7 | C4 | C5 | 118.9° | 119.6° |
| C7 | C4 | N3 | 118.9° | 119.6° |
| C5 | C4 | N3 | 121.9° | 120.8° |
| C4 | C5 | C6 | 117.7° | 119.2° |
| C4 | C5 | H2 | 121.2° | 120.4° |
| C4 | N3 | C2 | 124.8° | 121.8° |
| C5 | C6 | C1 | 117.9° | 118.4° |
| C6 | C5 | H2 | 121.1° | 120.4° |
| C5 | C6 | H3 | 121.1° | 120.8° |
| N3 | C2 | C1 | 116.0° | 120.7° |
| N3 | C2 | H1 | 122.0° | 119.6° |
| C6 | C1 | C2 | 121.7° | 119.0° |
| C6 | C1 | C10 | 120.0° | 120.5° |
| C1 | C6 | H3 | 121.1° | 120.8° |
| C2 | C1 | C10 | 118.3° | 120.4° |
| C1 | C2 | H1 | 122.0° | 119.7° |
| C1 | C10 | N11 | 179.0° | 180.0° |
| H7 | C23 | H8 | 109.5° | 109.7° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H10 | C20 | H12 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.8° |
| H15 | N26 | H16 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C13 | C15 | C12 | 177.9° | 179.2° |
| F18 | C13 | C15 | C17 | 177.5° | 180.0° |
| F18 | C13 | C12 | C19 | 0.1° | 0.2° |
| F18 | C13 | C12 | C14 | 179.9° | 179.7° |
| F18 | C13 | C15 | H5 | 2.5° | 0.6° |
| C23 | C22 | C19 | H13 | 119.8° | 119.6° |
| C23 | C22 | C19 | H14 | 119.7° | 119.7° |
| C22 | C23 | O24 | H7 | 118.9° | 119.7° |
| C22 | C23 | O24 | H8 | 118.9° | 119.6° |
| C23 | C22 | C19 | C20 | 172.7° | 73.2° |
| C23 | C22 | C19 | C12 | 63.7° | 167.0° |
| C23 | C22 | C19 | N21 | 57.2° | 46.8° |
| C22 | C23 | O24 | C25 | 44.8° | 45.9° |
| C22 | C23 | H7 | H8 | 123.2° | 120.8° |
| C23 | C22 | H13 | H14 | 120.7° | 120.6° |
| C22 | C19 | C12 | C13 | 68.4° | 59.6° |
| C19 | C22 | C23 | O24 | 65.0° | 61.0° |
| C22 | C19 | C20 | C12 | 123.1° | 119.9° |
| C22 | C19 | C20 | N21 | 116.8° | 120.2° |
| C22 | C19 | C12 | N21 | 120.4° | 120.3° |
| C22 | C19 | C12 | C14 | 111.4° | 120.3° |
| C22 | C19 | N21 | C25 | 23.4° | 18.0° |
| C19 | C22 | C23 | H7 | 53.9° | 179.3° |
| C19 | C22 | C23 | H8 | 176.1° | 58.6° |
| C22 | C19 | C20 | H10 | 180.0° | 179.9° |
| C22 | C19 | C20 | H11 | 60.0° | 60.1° |
| C22 | C19 | C20 | H12 | 60.0° | 59.9° |
| C19 | C22 | H13 | H14 | 120.7° | 120.7° |
| C13 | C15 | C17 | H5 | 180.0° | 179.4° |
| C15 | C13 | C12 | C19 | 177.8° | 179.4° |
| C15 | C13 | C12 | C14 | 2.0° | 0.5° |
| C13 | C15 | C17 | C16 | 3.8° | 0.6° |
| C13 | C15 | C17 | H6 | 176.2° | 179.4° |
| C13 | C12 | C19 | C20 | 52.6° | 60.2° |
| C12 | C13 | C15 | C17 | 4.6° | 0.8° |
| C13 | C12 | C19 | C14 | 179.8° | 179.9° |
| C13 | C12 | C19 | N21 | 171.2° | 179.9° |
| C13 | C12 | C14 | C16 | 1.2° | 0.0° |
| C13 | C12 | C14 | H4 | 178.8° | 179.7° |
| C12 | C13 | C15 | H5 | 175.4° | 179.8° |
| C23 | O24 | C25 | N21 | 12.6° | 15.8° |
| C23 | O24 | C25 | N26 | 165.7° | 164.2° |
| O24 | C23 | H7 | H8 | 123.3° | 120.7° |
| O24 | C23 | C22 | H13 | 54.7° | 58.6° |
| O24 | C23 | C22 | H14 | 175.2° | 179.3° |
| C20 | C19 | C12 | N21 | 118.6° | 119.9° |
| C20 | C19 | C12 | C14 | 127.6° | 119.9° |
| C20 | C19 | N21 | C25 | 139.5° | 102.0° |
| C19 | C20 | H10 | H11 | 120.0° | 120.0° |
| C19 | C20 | H10 | H12 | 120.0° | 119.9° |
| C19 | C20 | H11 | H12 | 120.0° | 120.0° |
| C20 | C19 | C22 | H13 | 52.9° | 167.2° |
| C20 | C19 | C22 | H14 | 67.5° | 46.5° |
| C15 | C17 | C16 | H6 | 180.0° | 180.0° |
| C15 | C17 | C16 | C14 | 0.7° | 0.0° |
| C15 | C17 | C16 | N9 | 172.2° | 180.0° |
| C12 | C19 | N21 | C25 | 98.7° | 138.1° |
| C19 | C12 | C14 | C16 | 179.0° | 179.9° |
| C19 | C12 | C14 | H4 | 1.0° | 0.3° |
| C12 | C19 | C20 | H10 | 56.9° | 60.0° |
| C12 | C19 | C20 | H11 | 176.9° | 180.0° |
| C12 | C19 | C20 | H12 | 63.1° | 60.0° |
| C12 | C19 | C22 | H13 | 176.5° | 47.4° |
| C12 | C19 | C22 | H14 | 56.0° | 73.4° |
| N21 | C19 | C12 | C14 | 9.0° | 0.0° |
| C19 | N21 | C25 | O24 | 0.5° | 0.6° |
| C19 | N21 | C25 | N26 | 177.8° | 179.4° |
| N21 | C19 | C20 | H10 | 63.2° | 59.9° |
| N21 | C19 | C20 | H11 | 56.8° | 60.1° |
| N21 | C19 | C20 | H12 | 176.8° | 179.9° |
| N21 | C19 | C22 | H13 | 62.6° | 72.8° |
| N21 | C19 | C22 | H14 | 176.9° | 166.5° |
| C12 | C14 | C16 | C17 | 1.9° | 0.3° |
| C12 | C14 | C16 | H4 | 180.0° | 179.7° |
| C12 | C14 | C16 | N9 | 175.4° | 179.7° |
| O24 | C25 | N21 | N26 | 178.3° | 180.0° |
| C25 | O24 | C23 | H7 | 74.0° | 165.6° |
| C25 | O24 | C23 | H8 | 163.7° | 73.7° |
| O24 | C25 | N26 | H15 | 0.0° | 180.0° |
| O24 | C25 | N26 | H16 | 180.0° | 0.0° |
| C17 | C16 | C14 | N9 | 173.5° | 180.0° |
| C17 | C16 | N9 | C7 | 6.5° | 35.1° |
| C17 | C16 | C14 | H4 | 178.1° | 180.0° |
| C16 | C17 | C15 | H5 | 176.2° | 180.0° |
| C17 | C16 | N9 | H9 | 173.5° | 144.9° |
| N21 | C25 | N26 | H15 | 178.4° | 0.0° |
| N21 | C25 | N26 | H16 | 1.6° | 180.0° |
| C25 | N26 | H15 | H16 | 179.9° | 180.0° |
| C14 | C16 | N9 | C7 | 166.7° | 144.9° |
| C14 | C16 | C17 | H6 | 179.3° | 180.0° |
| C14 | C16 | N9 | H9 | 13.3° | 35.2° |
| C16 | N9 | C7 | O8 | 2.9° | 4.6° |
| C16 | N9 | C7 | H9 | 180.0° | 180.0° |
| C16 | N9 | C7 | C4 | 175.7° | 175.4° |
| N9 | C16 | C14 | H4 | 4.6° | 0.0° |
| N9 | C16 | C17 | H6 | 7.8° | 0.0° |
| O8 | C7 | N9 | C4 | 178.7° | 180.0° |
| O8 | C7 | C4 | C5 | 19.7° | 0.0° |
| O8 | C7 | C4 | N3 | 166.3° | 179.8° |
| O8 | C7 | N9 | H9 | 177.1° | 175.4° |
| N9 | C7 | C4 | C5 | 159.1° | 180.0° |
| N9 | C7 | C4 | N3 | 15.0° | 0.2° |
| C7 | C4 | C5 | N3 | 173.9° | 179.8° |
| C7 | C4 | C5 | C6 | 177.8° | 180.0° |
| C7 | C4 | N3 | C2 | 178.5° | 179.8° |
| C7 | C4 | C5 | H2 | 2.2° | 0.2° |
| C4 | C7 | N9 | H9 | 4.2° | 4.7° |
| C4 | C5 | C6 | H2 | 180.0° | 179.8° |
| C5 | C4 | N3 | C2 | 4.6° | 0.0° |
| C4 | C5 | C6 | C1 | 2.7° | 0.5° |
| C4 | C5 | C6 | H3 | 177.3° | 180.0° |
| N3 | C4 | C5 | C6 | 4.0° | 0.2° |
| C4 | N3 | C2 | C1 | 3.7° | 0.0° |
| C4 | N3 | C2 | H1 | 176.3° | 180.0° |
| N3 | C4 | C5 | H2 | 176.0° | 180.0° |
| C5 | C6 | C1 | H3 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 2.1° | 0.5° |
| C5 | C6 | C1 | C10 | 180.0° | 179.8° |
| N3 | C2 | C1 | C6 | 2.4° | 0.3° |
| N3 | C2 | C1 | H1 | 180.0° | 180.0° |
| N3 | C2 | C1 | C10 | 179.7° | 180.0° |
| C6 | C1 | C2 | C10 | 178.0° | 179.7° |
| C6 | C1 | C10 | N11 | 10.1° | 27.3° |
| C6 | C1 | C2 | H1 | 177.6° | 179.7° |
| C1 | C6 | C5 | H2 | 177.3° | 179.7° |
| C2 | C1 | C10 | N11 | 167.9° | 153.0° |
| C2 | C1 | C6 | H3 | 177.9° | 180.0° |
| C10 | C1 | C2 | H1 | 0.4° | 0.0° |
| C10 | C1 | C6 | H3 | 0.0° | 0.3° |
| H2 | C5 | C6 | H3 | 2.7° | 0.2° |
| H5 | C15 | C17 | H6 | 3.8° | 0.0° |
| H7 | C23 | C22 | H13 | 173.6° | 61.0° |
| H7 | C23 | C22 | H14 | 65.9° | 59.6° |
| H8 | C23 | C22 | H13 | 64.2° | 178.2° |
| H8 | C23 | C22 | H14 | 56.3° | 61.1° |
| H10 | C20 | H11 | H12 | 120.0° | 120.1° |
