H8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C10 | sing | 1.38Å | 1.47Å | |
| C10 | N11 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | N9 | sing | 1.33Å | 1.34Å | Aromatic |
| N11 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| N9 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | N12 | sing | 1.38Å | 1.46Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C2 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | O24 | sing | 1.36Å | 1.37Å | |
| N21 | C20 | trip | 1.14Å | 1.20Å | |
| C20 | C18 | sing | 1.43Å | 1.34Å | |
| C19 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| O1 | C14 | sing | 1.36Å | 1.38Å | |
| C7 | C22 | sing | 1.52Å | 1.46Å | |
| C18 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| O24 | C23 | sing | 1.44Å | 1.44Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.55Å | 1.53Å | |
| C22 | C25 | sing | 1.53Å | 1.51Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| N12 | H5 | sing | 0.97Å | 1.00Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å | |
| N13 | H8 | sing | 0.97Å | 1.00Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C10 | N11 | 116.9° | 118.7° |
| N13 | C10 | N9 | 122.2° | 118.7° |
| C10 | N13 | H7 | 109.5° | 119.9° |
| C10 | N13 | H8 | 109.4° | 120.0° |
| N11 | C10 | N9 | 120.9° | 122.7° |
| C10 | N11 | C4 | 121.3° | 120.4° |
| C10 | N9 | C8 | 120.5° | 121.4° |
| N11 | C4 | C3 | 121.2° | 121.5° |
| N11 | C4 | C5 | 117.8° | 118.8° |
| N9 | C8 | C5 | 120.3° | 118.3° |
| N9 | C8 | N12 | 120.4° | 120.8° |
| C3 | C4 | C5 | 120.9° | 119.7° |
| C4 | C3 | C2 | 119.8° | 119.4° |
| C4 | C3 | H1 | 120.1° | 120.3° |
| C4 | C5 | C8 | 119.0° | 118.4° |
| C4 | C5 | C6 | 117.3° | 120.2° |
| C5 | C8 | N12 | 119.3° | 120.9° |
| C8 | C5 | C6 | 123.6° | 121.4° |
| C8 | N12 | H5 | 109.5° | 120.0° |
| C8 | N12 | H6 | 109.5° | 120.1° |
| C3 | C2 | O1 | 120.9° | 119.6° |
| C3 | C2 | C7 | 118.8° | 120.8° |
| C2 | C3 | H1 | 120.1° | 120.3° |
| C5 | C6 | C7 | 120.9° | 118.6° |
| C5 | C6 | O24 | 128.1° | 130.0° |
| O1 | C2 | C7 | 120.2° | 119.6° |
| C2 | O1 | C14 | 124.1° | 118.0° |
| C2 | C7 | C6 | 122.2° | 121.2° |
| C2 | C7 | C22 | 126.6° | 131.7° |
| C7 | C6 | O24 | 111.0° | 111.4° |
| C6 | C7 | C22 | 111.2° | 107.1° |
| C6 | O24 | C23 | 107.4° | 109.0° |
| N21 | C20 | C18 | 177.4° | 180.0° |
| C20 | C18 | C19 | 121.9° | 120.1° |
| C20 | C18 | C17 | 121.1° | 120.1° |
| C18 | C19 | C14 | 121.9° | 119.8° |
| C19 | C18 | C17 | 117.0° | 119.8° |
| C18 | C19 | H9 | 119.1° | 120.2° |
| C19 | C14 | O1 | 122.0° | 120.0° |
| C19 | C14 | C15 | 119.5° | 120.0° |
| C14 | C19 | H9 | 119.1° | 120.0° |
| O1 | C14 | C15 | 118.5° | 120.0° |
| C7 | C22 | C23 | 101.0° | 101.9° |
| C7 | C22 | C25 | 108.2° | 110.9° |
| C7 | C22 | H10 | 115.0° | 110.9° |
| C18 | C17 | C16 | 122.3° | 120.0° |
| C18 | C17 | H4 | 118.8° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.2° |
| C14 | C15 | H2 | 120.2° | 119.9° |
| O24 | C23 | C22 | 107.1° | 102.4° |
| O24 | C23 | H11 | 110.1° | 111.3° |
| O24 | C23 | H12 | 110.1° | 110.7° |
| C17 | C16 | C15 | 119.6° | 120.2° |
| C17 | C16 | H3 | 120.2° | 119.9° |
| C16 | C17 | H4 | 118.8° | 120.0° |
| C16 | C15 | H2 | 120.2° | 119.9° |
| C15 | C16 | H3 | 120.2° | 119.9° |
| C23 | C22 | C25 | 103.5° | 110.9° |
| C23 | C22 | H10 | 113.7° | 111.0° |
| C22 | C23 | H11 | 110.1° | 110.7° |
| C22 | C23 | H12 | 110.1° | 110.8° |
| C25 | C22 | H10 | 114.0° | 110.8° |
| C22 | C25 | H13 | 109.5° | 109.5° |
| C22 | C25 | H14 | 109.5° | 109.5° |
| C22 | C25 | H15 | 109.4° | 109.5° |
| H5 | N12 | H6 | 109.5° | 120.0° |
| H7 | N13 | H8 | 109.4° | 120.1° |
| H11 | C23 | H12 | 109.5° | 110.7° |
| H13 | C25 | H14 | 109.5° | 109.4° |
| H13 | C25 | H15 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C10 | N11 | N9 | 177.9° | 180.0° |
| N13 | C10 | N11 | C4 | 179.0° | 180.0° |
| N13 | C10 | N9 | C8 | 179.9° | 180.0° |
| C10 | N13 | H7 | H8 | 119.9° | 179.9° |
| N11 | C10 | N9 | C8 | 2.3° | 0.0° |
| C10 | N11 | C4 | C3 | 178.5° | 180.0° |
| C10 | N11 | C4 | C5 | 3.2° | 0.0° |
| N11 | C10 | N13 | H7 | 0.0° | 0.0° |
| N11 | C10 | N13 | H8 | 120.0° | 180.0° |
| N9 | C10 | N11 | C4 | 3.1° | 0.0° |
| C10 | N9 | C8 | C5 | 1.6° | 0.0° |
| C10 | N9 | C8 | N12 | 177.8° | 179.9° |
| N9 | C10 | N13 | H7 | 177.8° | 180.0° |
| N9 | C10 | N13 | H8 | 57.9° | 0.0° |
| N11 | C4 | C3 | C5 | 178.3° | 180.0° |
| N11 | C4 | C5 | C8 | 2.5° | 0.0° |
| N11 | C4 | C3 | C2 | 179.7° | 179.8° |
| N11 | C4 | C5 | C6 | 179.4° | 179.9° |
| N11 | C4 | C3 | H1 | 0.3° | 0.2° |
| N9 | C8 | C5 | C4 | 1.8° | 0.0° |
| N9 | C8 | C5 | N12 | 179.5° | 179.9° |
| N9 | C8 | C5 | C6 | 178.5° | 179.9° |
| N9 | C8 | N12 | H5 | 0.0° | 180.0° |
| N9 | C8 | N12 | H6 | 120.0° | 0.0° |
| C3 | C4 | C5 | C8 | 179.2° | 180.0° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.2° | 0.1° |
| C4 | C3 | C2 | O1 | 179.5° | 179.9° |
| C4 | C3 | C2 | C7 | 0.8° | 0.2° |
| C4 | C5 | C8 | C6 | 176.8° | 179.9° |
| C4 | C5 | C8 | N12 | 177.7° | 179.9° |
| C5 | C4 | C3 | C2 | 1.4° | 0.2° |
| C4 | C5 | C6 | C7 | 2.5° | 0.8° |
| C4 | C5 | C6 | O24 | 178.7° | 178.9° |
| C5 | C4 | C3 | H1 | 178.6° | 179.8° |
| C8 | C5 | C6 | C7 | 179.4° | 179.3° |
| C8 | C5 | C6 | O24 | 1.9° | 1.0° |
| C5 | C8 | N12 | H5 | 179.5° | 0.1° |
| C5 | C8 | N12 | H6 | 60.5° | 180.0° |
| N12 | C8 | C5 | C6 | 0.9° | 0.2° |
| C8 | N12 | H5 | H6 | 120.0° | 180.0° |
| C3 | C2 | O1 | C7 | 179.7° | 179.7° |
| C3 | C2 | C7 | C6 | 1.2° | 1.0° |
| C3 | C2 | O1 | C14 | 102.6° | 0.8° |
| C3 | C2 | C7 | C22 | 179.5° | 178.8° |
| C5 | C6 | C7 | C2 | 2.1° | 1.3° |
| C5 | C6 | C7 | O24 | 179.0° | 179.8° |
| C5 | C6 | C7 | C22 | 178.5° | 178.6° |
| C5 | C6 | O24 | C23 | 168.9° | 160.4° |
| O1 | C2 | C7 | C6 | 179.1° | 179.3° |
| C2 | O1 | C14 | C19 | 19.2° | 89.7° |
| O1 | C2 | C7 | C22 | 0.2° | 0.9° |
| C2 | O1 | C14 | C15 | 160.9° | 90.0° |
| O1 | C2 | C3 | H1 | 0.5° | 0.1° |
| C2 | C7 | C6 | C22 | 179.4° | 179.8° |
| C2 | C7 | C6 | O24 | 178.9° | 178.5° |
| C7 | C2 | O1 | C14 | 77.7° | 179.5° |
| C2 | C7 | C22 | C23 | 172.2° | 164.5° |
| C2 | C7 | C22 | C25 | 79.4° | 77.4° |
| C7 | C2 | C3 | H1 | 179.2° | 179.7° |
| C2 | C7 | C22 | H10 | 49.4° | 46.3° |
| C7 | C6 | O24 | C23 | 10.0° | 19.8° |
| C6 | C7 | C22 | C23 | 8.3° | 15.3° |
| C6 | C7 | C22 | C25 | 100.0° | 102.8° |
| C6 | C7 | C22 | H10 | 131.2° | 133.6° |
| O24 | C6 | C7 | C22 | 0.5° | 1.6° |
| C6 | O24 | C23 | C22 | 15.0° | 28.4° |
| C6 | O24 | C23 | H11 | 134.6° | 90.0° |
| C6 | O24 | C23 | H12 | 104.6° | 146.5° |
| N21 | C20 | C18 | C19 | 107.1° | 34.6° |
| N21 | C20 | C18 | C17 | 72.1° | 145.1° |
| C20 | C18 | C19 | C17 | 179.3° | 179.7° |
| C20 | C18 | C19 | C14 | 179.8° | 179.7° |
| C20 | C18 | C17 | C16 | 179.7° | 180.0° |
| C20 | C18 | C17 | H4 | 0.4° | 0.0° |
| C20 | C18 | C19 | H9 | 0.2° | 0.2° |
| C18 | C19 | C14 | H9 | 180.0° | 179.5° |
| C18 | C19 | C14 | O1 | 179.5° | 179.7° |
| C18 | C19 | C14 | C15 | 0.4° | 0.6° |
| C19 | C18 | C17 | C16 | 0.4° | 0.3° |
| C19 | C18 | C17 | H4 | 179.6° | 179.7° |
| C19 | C14 | O1 | C15 | 179.9° | 179.7° |
| C14 | C19 | C18 | C17 | 0.5° | 0.6° |
| C19 | C14 | C15 | C16 | 0.1° | 0.3° |
| C19 | C14 | C15 | H2 | 179.9° | 179.8° |
| O1 | C14 | C15 | C16 | 179.8° | 180.0° |
| O1 | C14 | C15 | H2 | 0.2° | 0.1° |
| O1 | C14 | C19 | H9 | 0.5° | 0.2° |
| C7 | C22 | C23 | O24 | 13.9° | 25.6° |
| C7 | C22 | C23 | C25 | 112.0° | 118.1° |
| C7 | C22 | C23 | H10 | 123.7° | 118.2° |
| C7 | C22 | C25 | H10 | 129.3° | 123.7° |
| C7 | C22 | C23 | H11 | 133.5° | 93.1° |
| C7 | C22 | C23 | H12 | 105.7° | 143.6° |
| C7 | C22 | C25 | H13 | 180.0° | 60.0° |
| C7 | C22 | C25 | H14 | 60.0° | 180.0° |
| C7 | C22 | C25 | H15 | 60.0° | 60.0° |
| C18 | C17 | C16 | H4 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H3 | 179.9° | 180.0° |
| C17 | C18 | C19 | H9 | 179.5° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C15 | C14 | C19 | H9 | 179.6° | 180.0° |
| O24 | C23 | C22 | H11 | 119.6° | 118.7° |
| O24 | C23 | C22 | H12 | 119.6° | 118.1° |
| O24 | C23 | C22 | C25 | 98.1° | 92.6° |
| O24 | C23 | C22 | H10 | 137.6° | 143.7° |
| O24 | C23 | H11 | H12 | 121.1° | 123.5° |
| C17 | C16 | C15 | H3 | 180.0° | 180.0° |
| C17 | C16 | C15 | H2 | 180.0° | 179.9° |
| C15 | C16 | C17 | H4 | 179.9° | 180.0° |
| C23 | C22 | C25 | H10 | 124.0° | 123.8° |
| C22 | C23 | H11 | H12 | 121.1° | 123.3° |
| C23 | C22 | C25 | H13 | 73.3° | 52.5° |
| C23 | C22 | C25 | H14 | 166.7° | 67.5° |
| C23 | C22 | C25 | H15 | 46.7° | 172.5° |
| C25 | C22 | C23 | H11 | 21.5° | 148.7° |
| C25 | C22 | C23 | H12 | 142.3° | 25.5° |
| C22 | C25 | H13 | H14 | 120.0° | 120.0° |
| C22 | C25 | H13 | H15 | 120.0° | 120.1° |
| C22 | C25 | H14 | H15 | 120.0° | 120.0° |
| H2 | C15 | C16 | H3 | 0.0° | 0.0° |
| H3 | C16 | C17 | H4 | 0.1° | 0.0° |
| H10 | C22 | C23 | H11 | 102.7° | 25.0° |
| H10 | C22 | C23 | H12 | 18.0° | 98.2° |
| H10 | C22 | C25 | H13 | 50.7° | 176.3° |
| H10 | C22 | C25 | H14 | 69.3° | 56.3° |
| H10 | C22 | C25 | H15 | 170.7° | 63.7° |
| H13 | C25 | H14 | H15 | 120.0° | 119.9° |
