1QG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.46Å | 1.47Å | |
| N2 | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.45Å | |
| C4 | C3 | sing | 1.42Å | 1.43Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | F1 | sing | 1.35Å | 1.33Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | C11 | sing | 1.48Å | 1.44Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C14 | sing | 1.32Å | 1.36Å | Aromatic |
| C14 | C16 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C17 | O1 | sing | 1.43Å | 1.40Å | |
| C16 | N4 | sing | 1.47Å | 1.48Å | |
| O1 | C18 | sing | 1.43Å | 1.40Å | |
| N4 | C19 | sing | 1.47Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| N4 | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C5 | 120.2° | 119.9° |
| C10 | C9 | C8 | 118.7° | 120.1° |
| C10 | C9 | H8 | 120.6° | 120.0° |
| C9 | C10 | H9 | 119.9° | 120.0° |
| C10 | C5 | C4 | 120.0° | 120.1° |
| C10 | C5 | C6 | 120.5° | 119.7° |
| C5 | C10 | H9 | 119.9° | 120.1° |
| C9 | C8 | F1 | 119.4° | 119.9° |
| C9 | C8 | C7 | 121.6° | 120.1° |
| C8 | C9 | H8 | 120.7° | 119.9° |
| C1 | N1 | N2 | 121.5° | 125.8° |
| C1 | N1 | C2 | 126.0° | 125.8° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C1 | H4 | 109.4° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | N2 | C4 | 105.3° | 108.5° |
| N2 | N1 | C2 | 112.6° | 108.4° |
| N2 | C4 | C5 | 120.2° | 126.1° |
| N2 | C4 | C3 | 110.3° | 107.8° |
| N1 | C2 | C3 | 105.9° | 107.8° |
| N1 | C2 | H5 | 127.1° | 126.1° |
| C5 | C4 | C3 | 129.4° | 126.1° |
| C4 | C5 | C6 | 119.4° | 120.1° |
| C4 | C3 | C2 | 105.9° | 107.5° |
| C4 | C3 | C11 | 128.3° | 126.3° |
| C5 | C6 | C7 | 120.1° | 119.9° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| F1 | C8 | C7 | 119.0° | 119.9° |
| C8 | C7 | C6 | 118.8° | 120.1° |
| C8 | C7 | H7 | 120.6° | 119.9° |
| C2 | C3 | C11 | 125.7° | 126.3° |
| C3 | C2 | H5 | 127.0° | 126.1° |
| C3 | C11 | C12 | 120.1° | 120.9° |
| C3 | C11 | C15 | 120.4° | 120.9° |
| C6 | C7 | H7 | 120.6° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.1° |
| C11 | C12 | C13 | 118.3° | 119.0° |
| C12 | C11 | C15 | 119.5° | 118.2° |
| C11 | C12 | H10 | 120.8° | 120.5° |
| C12 | C13 | N3 | 123.7° | 120.9° |
| C12 | C13 | H11 | 118.2° | 119.6° |
| C13 | C12 | H10 | 120.9° | 120.5° |
| C11 | C15 | C14 | 118.1° | 119.0° |
| C11 | C15 | H12 | 121.0° | 120.5° |
| C13 | N3 | C14 | 116.8° | 122.0° |
| N3 | C13 | H11 | 118.1° | 119.6° |
| C15 | C14 | N3 | 123.7° | 120.9° |
| C15 | C14 | C16 | 120.9° | 119.6° |
| C14 | C15 | H12 | 121.0° | 120.5° |
| N3 | C14 | C16 | 115.5° | 119.6° |
| C14 | C16 | C17 | 109.3° | 109.6° |
| C14 | C16 | N4 | 109.1° | 109.5° |
| C14 | C16 | H1 | 110.5° | 109.5° |
| C16 | C17 | O1 | 109.4° | 109.3° |
| C17 | C16 | N4 | 107.0° | 109.3° |
| C17 | C16 | H1 | 110.0° | 109.5° |
| C16 | C17 | H14 | 109.5° | 109.4° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| C17 | O1 | C18 | 113.0° | 113.7° |
| O1 | C17 | H14 | 109.5° | 109.5° |
| O1 | C17 | H13 | 109.5° | 109.6° |
| C16 | N4 | C19 | 110.1° | 110.8° |
| N4 | C16 | H1 | 110.9° | 109.5° |
| C16 | N4 | H19 | 109.3° | 111.0° |
| O1 | C18 | C19 | 110.6° | 109.3° |
| O1 | C18 | H15 | 109.2° | 109.5° |
| O1 | C18 | H16 | 109.2° | 109.5° |
| N4 | C19 | C18 | 108.4° | 109.3° |
| N4 | C19 | H17 | 109.8° | 109.5° |
| N4 | C19 | H18 | 109.8° | 109.5° |
| C19 | N4 | H19 | 109.3° | 111.0° |
| C19 | C18 | H15 | 109.2° | 109.5° |
| C19 | C18 | H16 | 109.2° | 109.5° |
| C18 | C19 | H17 | 109.7° | 109.5° |
| C18 | C19 | H18 | 109.8° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.4° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H4 | C1 | H2 | 109.5° | 109.5° |
| H14 | C17 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C5 | H9 | 180.0° | 179.8° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C9 | C10 | C5 | C4 | 174.6° | 179.8° |
| C9 | C10 | C5 | C6 | 1.9° | 0.3° |
| C10 | C9 | C8 | F1 | 178.5° | 180.0° |
| C10 | C9 | C8 | C7 | 1.4° | 0.0° |
| C5 | C10 | C9 | C8 | 0.4° | 0.2° |
| C10 | C5 | C4 | N2 | 40.1° | 145.3° |
| C10 | C5 | C4 | C6 | 176.5° | 179.9° |
| C10 | C5 | C4 | C3 | 144.7° | 35.0° |
| C10 | C5 | C6 | C7 | 1.7° | 0.0° |
| C10 | C5 | C6 | H6 | 178.3° | 180.0° |
| C5 | C10 | C9 | H8 | 179.6° | 179.7° |
| C9 | C8 | F1 | C7 | 179.9° | 180.0° |
| C9 | C8 | C7 | C6 | 1.6° | 0.3° |
| C9 | C8 | C7 | H7 | 178.4° | 180.0° |
| C8 | C9 | C10 | H9 | 179.6° | 180.0° |
| C1 | N1 | N2 | C2 | 178.5° | 180.0° |
| C1 | N1 | N2 | C4 | 178.5° | 180.0° |
| C1 | N1 | C2 | C3 | 179.0° | 179.7° |
| N1 | C1 | H3 | H4 | 120.0° | 120.0° |
| N1 | C1 | H3 | H2 | 120.0° | 120.0° |
| N1 | C1 | H4 | H2 | 120.0° | 120.0° |
| C1 | N1 | C2 | H5 | 1.0° | 0.1° |
| N1 | N2 | C4 | C5 | 175.4° | 180.0° |
| N1 | N2 | C4 | C3 | 0.6° | 0.3° |
| N2 | N1 | C2 | C3 | 0.5° | 0.2° |
| N2 | N1 | C1 | H3 | 0.0° | 90.0° |
| N2 | N1 | C1 | H4 | 120.0° | 150.1° |
| N2 | N1 | C1 | H2 | 120.0° | 30.0° |
| N2 | N1 | C2 | H5 | 179.5° | 179.9° |
| C4 | N2 | N1 | C2 | 0.1° | 0.0° |
| N2 | C4 | C5 | C3 | 175.2° | 179.7° |
| N2 | C4 | C5 | C6 | 136.5° | 34.7° |
| N2 | C4 | C3 | C2 | 1.0° | 0.4° |
| N2 | C4 | C3 | C11 | 176.4° | 179.7° |
| N1 | C2 | C3 | C4 | 0.9° | 0.4° |
| N1 | C2 | C3 | H5 | 180.0° | 179.8° |
| N1 | C2 | C3 | C11 | 176.6° | 179.7° |
| C2 | N1 | C1 | H3 | 178.3° | 90.0° |
| C2 | N1 | C1 | H4 | 58.4° | 30.0° |
| C2 | N1 | C1 | H2 | 61.6° | 150.0° |
| C5 | C4 | C3 | C2 | 174.7° | 179.9° |
| C5 | C4 | C3 | C11 | 8.0° | 0.0° |
| C4 | C5 | C6 | C7 | 174.8° | 180.0° |
| C4 | C5 | C6 | H6 | 5.1° | 0.0° |
| C4 | C5 | C10 | H9 | 5.4° | 0.0° |
| C3 | C4 | C5 | C6 | 38.8° | 145.0° |
| C4 | C3 | C2 | C11 | 177.4° | 179.9° |
| C4 | C3 | C11 | C12 | 32.8° | 50.0° |
| C4 | C3 | C11 | C15 | 148.7° | 130.0° |
| C4 | C3 | C2 | H5 | 179.2° | 179.8° |
| C5 | C6 | C7 | C8 | 0.1° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C10 | H9 | 178.1° | 179.9° |
| F1 | C8 | C7 | C6 | 178.3° | 179.7° |
| F1 | C8 | C7 | H7 | 1.7° | 0.0° |
| F1 | C8 | C9 | H8 | 1.5° | 0.1° |
| C8 | C7 | C6 | H7 | 180.0° | 179.7° |
| C8 | C7 | C6 | H6 | 179.9° | 179.8° |
| C7 | C8 | C9 | H8 | 178.7° | 179.9° |
| C2 | C3 | C11 | C12 | 144.0° | 130.1° |
| C2 | C3 | C11 | C15 | 34.5° | 49.9° |
| C3 | C11 | C12 | C15 | 178.5° | 180.0° |
| C3 | C11 | C12 | C13 | 178.3° | 180.0° |
| C3 | C11 | C15 | C14 | 178.4° | 180.0° |
| C11 | C3 | C2 | H5 | 3.4° | 0.1° |
| C3 | C11 | C12 | H10 | 1.7° | 0.0° |
| C3 | C11 | C15 | H12 | 1.6° | 0.1° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | N3 | 0.4° | 0.0° |
| C12 | C11 | C15 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H11 | 179.6° | 179.9° |
| C12 | C11 | C15 | H12 | 179.9° | 180.0° |
| C13 | C12 | C11 | C15 | 0.2° | 0.0° |
| C12 | C13 | N3 | H11 | 180.0° | 179.9° |
| C12 | C13 | N3 | C14 | 0.3° | 0.0° |
| C11 | C15 | C14 | H12 | 180.0° | 180.0° |
| C11 | C15 | C14 | N3 | 0.0° | 0.0° |
| C11 | C15 | C14 | C16 | 179.6° | 180.0° |
| C15 | C11 | C12 | H10 | 179.8° | 180.0° |
| C13 | N3 | C14 | C15 | 0.1° | 0.0° |
| C13 | N3 | C14 | C16 | 179.5° | 180.0° |
| N3 | C13 | C12 | H10 | 179.6° | 180.0° |
| C15 | C14 | N3 | C16 | 179.6° | 180.0° |
| C15 | C14 | C16 | C17 | 67.2° | 125.2° |
| C15 | C14 | C16 | N4 | 49.6° | 114.9° |
| C15 | C14 | C16 | H1 | 171.7° | 5.1° |
| N3 | C14 | C16 | C17 | 112.5° | 54.8° |
| N3 | C14 | C16 | N4 | 130.8° | 65.0° |
| C14 | N3 | C13 | H11 | 179.7° | 179.9° |
| N3 | C14 | C16 | H1 | 8.7° | 174.9° |
| N3 | C14 | C15 | H12 | 180.0° | 180.0° |
| C14 | C16 | C17 | N4 | 118.1° | 120.0° |
| C14 | C16 | C17 | H1 | 121.4° | 120.1° |
| C14 | C16 | C17 | O1 | 178.3° | 176.8° |
| C14 | C16 | N4 | H1 | 121.9° | 120.1° |
| C14 | C16 | N4 | C19 | 178.5° | 178.6° |
| C16 | C14 | C15 | H12 | 0.4° | 0.1° |
| C14 | C16 | C17 | H14 | 61.7° | 63.2° |
| C14 | C16 | C17 | H13 | 58.3° | 56.8° |
| C14 | C16 | N4 | H19 | 58.4° | 54.9° |
| C16 | C17 | O1 | H14 | 120.0° | 119.9° |
| C16 | C17 | O1 | H13 | 120.0° | 119.9° |
| C17 | C16 | N4 | H1 | 120.0° | 119.9° |
| C16 | C17 | O1 | C18 | 61.3° | 58.7° |
| C17 | C16 | N4 | C19 | 60.3° | 58.6° |
| C16 | C17 | H14 | H13 | 120.1° | 120.0° |
| C17 | C16 | N4 | H19 | 59.8° | 65.1° |
| O1 | C17 | C16 | N4 | 60.3° | 56.8° |
| C17 | O1 | C18 | C19 | 59.2° | 58.7° |
| C17 | O1 | C18 | H15 | 179.4° | 61.3° |
| C17 | O1 | C18 | H16 | 60.9° | 178.7° |
| O1 | C17 | C16 | H1 | 60.3° | 63.0° |
| O1 | C17 | H14 | H13 | 120.0° | 120.2° |
| C16 | N4 | C19 | H19 | 120.1° | 123.7° |
| C16 | N4 | C19 | C18 | 58.5° | 58.6° |
| C16 | N4 | C19 | H17 | 178.3° | 61.3° |
| C16 | N4 | C19 | H18 | 61.4° | 178.6° |
| N4 | C16 | C17 | H14 | 179.8° | 176.8° |
| N4 | C16 | C17 | H13 | 59.7° | 63.1° |
| O1 | C18 | C19 | N4 | 56.2° | 56.8° |
| O1 | C18 | C19 | H15 | 120.1° | 119.9° |
| O1 | C18 | C19 | H16 | 120.2° | 120.0° |
| O1 | C18 | H15 | H16 | 119.5° | 120.1° |
| O1 | C18 | C19 | H17 | 176.0° | 63.1° |
| O1 | C18 | C19 | H18 | 63.7° | 176.8° |
| C18 | O1 | C17 | H14 | 178.7° | 178.6° |
| C18 | O1 | C17 | H13 | 58.7° | 61.3° |
| N4 | C19 | C18 | H17 | 119.8° | 119.9° |
| N4 | C19 | C18 | H18 | 119.9° | 120.0° |
| N4 | C19 | C18 | H15 | 176.3° | 63.1° |
| N4 | C19 | C18 | H16 | 64.0° | 176.8° |
| C19 | N4 | C16 | H1 | 59.6° | 61.3° |
| N4 | C19 | H17 | H18 | 120.5° | 120.1° |
| C19 | C18 | H15 | H16 | 119.5° | 120.1° |
| C18 | C19 | H17 | H18 | 120.5° | 120.1° |
| C18 | C19 | N4 | H19 | 61.6° | 65.1° |
| H7 | C7 | C6 | H6 | 0.1° | 0.1° |
| H8 | C9 | C10 | H9 | 0.4° | 0.1° |
| H11 | C13 | C12 | H10 | 0.4° | 0.1° |
| H15 | C18 | C19 | H17 | 63.8° | 177.0° |
| H15 | C18 | C19 | H18 | 56.5° | 56.9° |
| H16 | C18 | C19 | H17 | 55.9° | 56.9° |
| H16 | C18 | C19 | H18 | 176.2° | 63.2° |
| H1 | C16 | C17 | H14 | 59.7° | 56.9° |
| H1 | C16 | C17 | H13 | 179.7° | 177.0° |
| H1 | C16 | N4 | H19 | 179.7° | 175.0° |
| H17 | C19 | N4 | H19 | 58.2° | 175.0° |
| H18 | C19 | N4 | H19 | 178.5° | 54.8° |
| H3 | C1 | H4 | H2 | 120.0° | 120.0° |
