6LV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.39Å | 1.36Å | |
| C2 | N8 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| N8 | N9 | sing | 1.40Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C10 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.39Å | Aromatic |
| C10 | N11 | doub | 1.30Å | 1.35Å | Aromatic |
| C10 | C15 | sing | 1.51Å | 1.51Å | |
| N11 | C12 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | O24 | sing | 1.36Å | 1.38Å | |
| C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| O24 | C25 | sing | 1.43Å | 1.44Å | |
| C21 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.37Å | |
| O19 | C20 | sing | 1.43Å | 1.43Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N8 | 120.9° | 125.3° |
| N1 | C2 | N3 | 121.8° | 125.3° |
| C2 | N1 | H11 | 109.5° | 120.0° |
| C2 | N1 | H12 | 109.5° | 119.9° |
| N8 | C2 | N3 | 117.3° | 109.4° |
| C2 | N8 | N9 | 98.3° | 107.1° |
| C2 | N3 | C4 | 102.4° | 109.6° |
| N8 | N9 | C4 | 113.5° | 106.0° |
| N8 | N9 | C10 | 125.4° | 133.7° |
| C4 | N9 | C10 | 121.1° | 120.3° |
| N9 | C4 | N3 | 108.5° | 107.9° |
| N9 | C4 | C5 | 121.9° | 117.6° |
| N9 | C10 | N11 | 119.7° | 123.1° |
| N9 | C10 | C15 | 121.5° | 118.5° |
| N3 | C4 | C5 | 129.6° | 134.5° |
| C4 | C5 | C12 | 116.3° | 117.8° |
| C4 | C5 | C6 | 123.2° | 122.3° |
| N11 | C10 | C15 | 118.8° | 118.4° |
| C10 | N11 | C12 | 120.8° | 122.0° |
| C10 | C15 | C16 | 110.0° | 109.5° |
| C10 | C15 | H151 | 109.4° | 109.5° |
| C10 | C15 | H152 | 109.4° | 109.4° |
| N11 | C12 | C13 | 120.2° | 121.6° |
| N11 | C12 | C5 | 120.3° | 119.2° |
| C13 | C12 | C5 | 119.5° | 119.2° |
| C12 | C13 | C14 | 120.6° | 119.7° |
| C12 | C13 | H13 | 119.7° | 120.2° |
| C12 | C5 | C6 | 120.6° | 119.9° |
| C13 | C14 | C7 | 119.8° | 121.0° |
| C14 | C13 | H13 | 119.7° | 120.2° |
| C13 | C14 | H14 | 120.1° | 119.5° |
| C14 | C7 | C6 | 120.1° | 120.6° |
| C7 | C14 | H14 | 120.1° | 119.4° |
| C14 | C7 | H7 | 119.9° | 119.7° |
| C7 | C6 | C5 | 119.4° | 119.6° |
| C6 | C7 | H7 | 120.0° | 119.7° |
| C7 | C6 | H6 | 120.3° | 120.2° |
| C5 | C6 | H6 | 120.3° | 120.2° |
| C15 | C16 | C23 | 119.4° | 120.0° |
| C15 | C16 | C17 | 120.1° | 119.9° |
| C16 | C15 | H151 | 109.3° | 109.5° |
| C16 | C15 | H152 | 109.3° | 109.5° |
| C23 | C16 | C17 | 120.5° | 120.1° |
| C16 | C23 | C22 | 121.0° | 120.1° |
| C16 | C23 | H23 | 119.5° | 119.9° |
| C16 | C17 | C18 | 118.8° | 120.0° |
| C16 | C17 | H17 | 120.6° | 120.0° |
| C23 | C22 | O24 | 118.4° | 120.0° |
| C23 | C22 | C21 | 118.9° | 120.0° |
| C22 | C23 | H23 | 119.5° | 120.0° |
| O24 | C22 | C21 | 122.7° | 120.0° |
| C22 | O24 | C25 | 121.6° | 117.0° |
| C22 | C21 | C18 | 120.2° | 119.9° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| O24 | C25 | H251 | 109.5° | 109.4° |
| O24 | C25 | H252 | 109.4° | 109.4° |
| O24 | C25 | H253 | 109.5° | 109.5° |
| C21 | C18 | C17 | 120.7° | 119.9° |
| C21 | C18 | O19 | 118.3° | 120.1° |
| C18 | C21 | H21 | 120.0° | 120.0° |
| C17 | C18 | O19 | 121.0° | 120.0° |
| C18 | C17 | H17 | 120.6° | 120.0° |
| C18 | O19 | C20 | 123.3° | 117.0° |
| O19 | C20 | H201 | 109.5° | 109.5° |
| O19 | C20 | H202 | 109.5° | 109.5° |
| O19 | C20 | H203 | 109.5° | 109.5° |
| H11 | N1 | H12 | 109.5° | 120.1° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N8 | N3 | 179.9° | 179.7° |
| N1 | C2 | N8 | N9 | 179.5° | 180.0° |
| N1 | C2 | N3 | C4 | 179.2° | 179.9° |
| C2 | N1 | H11 | H12 | 120.0° | 179.7° |
| C2 | N8 | N9 | C4 | 0.0° | 0.0° |
| C2 | N8 | N9 | C10 | 178.5° | 180.0° |
| N8 | C2 | N3 | C4 | 0.9° | 0.4° |
| N8 | C2 | N1 | H11 | 0.0° | 0.1° |
| N8 | C2 | N1 | H12 | 120.0° | 179.7° |
| N3 | C2 | N8 | N9 | 0.6° | 0.3° |
| C2 | N3 | C4 | N9 | 0.8° | 0.4° |
| C2 | N3 | C4 | C5 | 179.9° | 179.9° |
| N3 | C2 | N1 | H11 | 179.9° | 179.7° |
| N3 | C2 | N1 | H12 | 60.1° | 0.6° |
| N8 | N9 | C4 | C10 | 178.6° | 180.0° |
| N8 | N9 | C4 | N3 | 0.5° | 0.2° |
| N8 | N9 | C4 | C5 | 179.7° | 180.0° |
| N8 | N9 | C10 | N11 | 179.9° | 180.0° |
| N8 | N9 | C10 | C15 | 1.1° | 0.0° |
| N9 | C4 | N3 | C5 | 179.1° | 179.7° |
| C4 | N9 | C10 | N11 | 1.4° | 0.1° |
| C4 | N9 | C10 | C15 | 179.5° | 180.0° |
| N9 | C4 | C5 | C12 | 1.2° | 0.0° |
| N9 | C4 | C5 | C6 | 179.4° | 179.9° |
| C10 | N9 | C4 | N3 | 179.1° | 179.7° |
| C10 | N9 | C4 | C5 | 1.7° | 0.1° |
| N9 | C10 | N11 | C15 | 179.1° | 179.9° |
| N9 | C10 | N11 | C12 | 0.8° | 0.1° |
| N9 | C10 | C15 | C16 | 105.1° | 179.9° |
| N9 | C10 | C15 | H151 | 134.8° | 59.9° |
| N9 | C10 | C15 | H152 | 15.0° | 60.0° |
| N3 | C4 | C5 | C12 | 179.7° | 179.7° |
| N3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C4 | C5 | C12 | N11 | 0.6° | 0.0° |
| C4 | C5 | C12 | C13 | 179.6° | 180.0° |
| C4 | C5 | C12 | C6 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 179.4° | 180.0° |
| C4 | C5 | C6 | H6 | 0.6° | 0.0° |
| C10 | N11 | C12 | C13 | 179.8° | 180.0° |
| C10 | N11 | C12 | C5 | 0.4° | 0.1° |
| N11 | C10 | C15 | C16 | 74.0° | 0.0° |
| N11 | C10 | C15 | H151 | 46.1° | 120.0° |
| N11 | C10 | C15 | H152 | 166.0° | 120.1° |
| C15 | C10 | N11 | C12 | 179.9° | 180.0° |
| C10 | C15 | C16 | H151 | 120.1° | 120.0° |
| C10 | C15 | C16 | H152 | 120.1° | 120.0° |
| C10 | C15 | C16 | C23 | 58.7° | 90.0° |
| C10 | C15 | C16 | C17 | 121.6° | 90.3° |
| C10 | C15 | H151 | H152 | 119.8° | 119.9° |
| N11 | C12 | C13 | C5 | 179.8° | 180.0° |
| N11 | C12 | C13 | C14 | 179.7° | 180.0° |
| N11 | C12 | C5 | C6 | 180.0° | 180.0° |
| N11 | C12 | C13 | H13 | 0.3° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C7 | 0.6° | 0.0° |
| C13 | C12 | C5 | C6 | 0.2° | 0.0° |
| C12 | C13 | C14 | H14 | 179.4° | 179.9° |
| C5 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C12 | C13 | H13 | 179.9° | 179.9° |
| C12 | C5 | C6 | H6 | 180.0° | 180.0° |
| C13 | C14 | C7 | H14 | 180.0° | 179.9° |
| C13 | C14 | C7 | C6 | 0.7° | 0.0° |
| C13 | C14 | C7 | H7 | 179.3° | 180.0° |
| C14 | C7 | C6 | H7 | 180.0° | 180.0° |
| C14 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C14 | C13 | H13 | 179.4° | 179.9° |
| C14 | C7 | C6 | H6 | 179.5° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C7 | C14 | H14 | 179.2° | 179.9° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C15 | C16 | C23 | C17 | 179.7° | 179.7° |
| C15 | C16 | C23 | C22 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 179.4° | 179.8° |
| C16 | C15 | H151 | H152 | 119.7° | 120.1° |
| C15 | C16 | C23 | H23 | 0.4° | 0.0° |
| C15 | C16 | C17 | H17 | 0.7° | 0.0° |
| C16 | C23 | C22 | H23 | 180.0° | 179.9° |
| C16 | C23 | C22 | O24 | 179.8° | 180.0° |
| C16 | C23 | C22 | C21 | 0.1° | 0.1° |
| C23 | C16 | C17 | C18 | 0.4° | 0.5° |
| C23 | C16 | C15 | H151 | 178.8° | 30.0° |
| C23 | C16 | C15 | H152 | 61.4° | 150.0° |
| C23 | C16 | C17 | H17 | 179.6° | 179.8° |
| C17 | C16 | C23 | C22 | 0.2° | 0.2° |
| C16 | C17 | C18 | C21 | 0.3° | 0.4° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | O19 | 179.3° | 179.8° |
| C17 | C16 | C15 | H151 | 1.5° | 149.7° |
| C17 | C16 | C15 | H152 | 118.3° | 29.7° |
| C17 | C16 | C23 | H23 | 179.9° | 179.7° |
| C23 | C22 | O24 | C21 | 179.9° | 180.0° |
| C23 | C22 | O24 | C25 | 177.2° | 179.9° |
| C23 | C22 | C21 | C18 | 0.2° | 0.1° |
| C23 | C22 | C21 | H21 | 179.8° | 180.0° |
| O24 | C22 | C21 | C18 | 179.7° | 180.0° |
| O24 | C22 | C23 | H23 | 0.2° | 0.0° |
| O24 | C22 | C21 | H21 | 0.3° | 0.0° |
| C22 | O24 | C25 | H251 | 180.0° | 180.0° |
| C22 | O24 | C25 | H252 | 60.0° | 60.0° |
| C22 | O24 | C25 | H253 | 60.0° | 60.0° |
| C21 | C22 | O24 | C25 | 2.7° | 0.0° |
| C22 | C21 | C18 | H21 | 180.0° | 180.0° |
| C22 | C21 | C18 | C17 | 0.0° | 0.2° |
| C22 | C21 | C18 | O19 | 179.6° | 180.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| O24 | C25 | H251 | H252 | 120.0° | 119.9° |
| O24 | C25 | H251 | H253 | 120.0° | 120.0° |
| O24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C21 | C18 | C17 | O19 | 179.6° | 179.8° |
| C21 | C18 | O19 | C20 | 165.9° | 0.0° |
| C21 | C18 | C17 | H17 | 179.7° | 179.8° |
| C17 | C18 | O19 | C20 | 14.5° | 179.8° |
| C17 | C18 | C21 | H21 | 180.0° | 179.8° |
| O19 | C18 | C17 | H17 | 0.7° | 0.0° |
| O19 | C18 | C21 | H21 | 0.4° | 0.0° |
| C18 | O19 | C20 | H201 | 180.0° | 180.0° |
| C18 | O19 | C20 | H202 | 60.0° | 60.0° |
| C18 | O19 | C20 | H203 | 60.0° | 60.0° |
| O19 | C20 | H201 | H202 | 120.0° | 120.0° |
| O19 | C20 | H201 | H203 | 120.0° | 120.0° |
| O19 | C20 | H202 | H203 | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 0.6° | 0.0° |
| H14 | C14 | C7 | H7 | 0.7° | 0.1° |
| H7 | C7 | C6 | H6 | 0.5° | 0.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
