6FQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| C1 | C4 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | |
| C4 | C3 | sing | 1.47Å | 1.43Å | |
| C5 | C7 | sing | 1.42Å | 1.39Å | |
| O1 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | N2 | sing | 1.33Å | 1.38Å | |
| C3 | N2 | doub | 1.33Å | 1.32Å | |
| C3 | N3 | sing | 1.36Å | 1.38Å | |
| C7 | C8 | doub | 1.41Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| N3 | C6 | sing | 1.38Å | 1.40Å | |
| N3 | C13 | sing | 1.40Å | 1.45Å | |
| C6 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | N4 | trip | 1.14Å | 1.14Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.48Å | 1.46Å | |
| C19 | N6 | doub | 1.32Å | 1.32Å | Aromatic |
| C19 | N5 | sing | 1.36Å | 1.33Å | Aromatic |
| N6 | N7 | sing | 1.28Å | 1.36Å | Aromatic |
| N5 | N8 | sing | 1.41Å | 1.34Å | Aromatic |
| N7 | N8 | doub | 1.29Å | 1.29Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | N1 | 119.6° | 121.5° |
| O2 | C1 | C4 | 123.9° | 121.4° |
| N1 | C1 | C4 | 116.5° | 117.1° |
| C1 | N1 | C2 | 122.1° | 121.1° |
| C1 | N1 | H1 | 118.9° | 119.4° |
| C1 | C4 | C5 | 121.0° | 122.3° |
| C1 | C4 | C3 | 118.3° | 117.7° |
| N1 | C2 | O1 | 117.7° | 117.9° |
| N1 | C2 | N2 | 120.9° | 124.1° |
| C2 | N1 | H1 | 118.9° | 119.5° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C4 | C5 | C7 | 120.1° | 118.8° |
| C4 | C5 | H2 | 119.9° | 120.6° |
| C4 | C3 | N2 | 122.1° | 118.4° |
| C4 | C3 | N3 | 118.8° | 119.7° |
| C5 | C7 | C8 | 121.5° | 119.9° |
| C5 | C7 | C6 | 119.4° | 120.2° |
| C7 | C5 | H2 | 120.0° | 120.6° |
| O1 | C2 | N2 | 121.4° | 118.0° |
| C2 | N2 | C3 | 120.0° | 121.5° |
| N2 | C3 | N3 | 119.0° | 121.9° |
| C3 | N3 | C6 | 120.6° | 120.4° |
| C3 | N3 | C13 | 119.7° | 119.8° |
| C8 | C7 | C6 | 119.2° | 119.8° |
| C7 | C8 | C11 | 120.1° | 120.1° |
| C7 | C8 | H3 | 119.9° | 119.9° |
| C7 | C6 | N3 | 120.4° | 120.9° |
| C7 | C6 | C9 | 119.3° | 119.4° |
| C8 | C11 | C10 | 120.8° | 120.4° |
| C11 | C8 | H3 | 120.0° | 119.9° |
| C8 | C11 | H7 | 119.6° | 119.8° |
| C6 | N3 | C13 | 119.6° | 119.8° |
| N3 | C6 | C9 | 120.3° | 119.7° |
| N3 | C13 | C14 | 120.2° | 120.0° |
| N3 | C13 | C18 | 119.3° | 120.0° |
| C6 | C9 | C10 | 120.3° | 119.8° |
| C6 | C9 | H6 | 119.8° | 120.0° |
| C11 | C10 | C9 | 120.3° | 120.3° |
| C11 | C10 | C12 | 119.9° | 119.8° |
| C10 | C11 | H7 | 119.6° | 119.8° |
| C13 | C14 | C15 | 119.7° | 120.2° |
| C14 | C13 | C18 | 120.5° | 120.0° |
| C13 | C14 | H8 | 120.2° | 119.9° |
| C14 | C15 | C16 | 120.2° | 120.2° |
| C14 | C15 | H4 | 119.9° | 119.9° |
| C15 | C14 | H8 | 120.1° | 119.9° |
| C9 | C10 | C12 | 119.7° | 119.8° |
| C10 | C9 | H6 | 119.8° | 120.1° |
| C13 | C18 | C17 | 120.0° | 119.8° |
| C13 | C18 | H10 | 120.0° | 120.1° |
| C10 | C12 | N4 | 179.5° | 180.0° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C16 | C15 | H4 | 119.9° | 119.9° |
| C15 | C16 | H9 | 119.9° | 120.0° |
| C18 | C17 | C16 | 119.4° | 119.8° |
| C18 | C17 | C19 | 119.9° | 120.1° |
| C17 | C18 | H10 | 120.0° | 120.2° |
| C16 | C17 | C19 | 120.7° | 120.1° |
| C17 | C16 | H9 | 119.9° | 120.0° |
| C17 | C19 | N6 | 125.9° | 126.5° |
| C17 | C19 | N5 | 126.4° | 126.5° |
| N6 | C19 | N5 | 107.7° | 107.0° |
| C19 | N6 | N7 | 106.4° | 110.5° |
| C19 | N5 | N8 | 108.9° | 105.2° |
| C19 | N5 | H11 | 125.6° | 127.4° |
| N6 | N7 | N8 | 110.1° | 110.4° |
| N5 | N8 | N7 | 106.9° | 106.9° |
| N8 | N5 | H11 | 125.5° | 127.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | N1 | C4 | 179.6° | 180.0° |
| O2 | C1 | N1 | C2 | 179.9° | 180.0° |
| O2 | C1 | C4 | C5 | 0.2° | 0.2° |
| O2 | C1 | C4 | C3 | 179.8° | 179.6° |
| O2 | C1 | N1 | H1 | 0.1° | 0.3° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| N1 | C1 | C4 | C5 | 179.8° | 179.8° |
| N1 | C1 | C4 | C3 | 0.2° | 0.4° |
| C1 | N1 | C2 | O1 | 180.0° | 179.8° |
| C1 | N1 | C2 | N2 | 0.0° | 0.3° |
| C4 | C1 | N1 | C2 | 0.3° | 0.0° |
| C1 | C4 | C5 | C3 | 180.0° | 179.4° |
| C1 | C4 | C5 | C7 | 179.7° | 179.3° |
| C1 | C4 | C3 | N2 | 0.0° | 0.6° |
| C1 | C4 | C3 | N3 | 179.9° | 180.0° |
| C4 | C1 | N1 | H1 | 179.7° | 179.7° |
| C1 | C4 | C5 | H2 | 0.3° | 0.6° |
| N1 | C2 | O1 | N2 | 180.0° | 179.9° |
| N1 | C2 | N2 | C3 | 0.2° | 0.1° |
| C4 | C5 | C7 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | N2 | 180.0° | 180.0° |
| C5 | C4 | C3 | N3 | 0.1° | 0.6° |
| C4 | C5 | C7 | C8 | 179.7° | 180.0° |
| C4 | C5 | C7 | C6 | 0.3° | 1.5° |
| C3 | C4 | C5 | C7 | 0.3° | 0.1° |
| C4 | C3 | N2 | C2 | 0.2° | 0.4° |
| C4 | C3 | N2 | N3 | 179.9° | 179.4° |
| C4 | C3 | N3 | C6 | 0.4° | 0.1° |
| C4 | C3 | N3 | C13 | 179.8° | 180.0° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C5 | C7 | C8 | C6 | 180.0° | 178.6° |
| C5 | C7 | C8 | C11 | 179.7° | 179.9° |
| C5 | C7 | C6 | N3 | 0.1° | 2.2° |
| C5 | C7 | C6 | C9 | 180.0° | 179.3° |
| C5 | C7 | C8 | H3 | 0.3° | 0.1° |
| O1 | C2 | N2 | C3 | 179.8° | 180.0° |
| O1 | C2 | N1 | H1 | 0.0° | 0.1° |
| C2 | N2 | C3 | N3 | 179.8° | 179.8° |
| N2 | C2 | N1 | H1 | 180.0° | 180.0° |
| N2 | C3 | N3 | C6 | 179.6° | 179.2° |
| N2 | C3 | N3 | C13 | 0.2° | 0.6° |
| C3 | N3 | C6 | C7 | 0.4° | 1.5° |
| C3 | N3 | C6 | C13 | 179.4° | 179.9° |
| C3 | N3 | C6 | C9 | 179.6° | 180.0° |
| C3 | N3 | C13 | C14 | 90.6° | 89.8° |
| C3 | N3 | C13 | C18 | 89.0° | 89.9° |
| C7 | C8 | C11 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | N3 | 179.9° | 179.2° |
| C8 | C7 | C6 | C9 | 0.1° | 0.7° |
| C7 | C8 | C11 | C10 | 0.3° | 2.7° |
| C8 | C7 | C5 | H2 | 0.2° | 0.1° |
| C7 | C8 | C11 | H7 | 179.7° | 180.0° |
| C6 | C7 | C8 | C11 | 0.3° | 1.4° |
| C7 | C6 | N3 | C9 | 180.0° | 178.5° |
| C7 | C6 | N3 | C13 | 179.8° | 178.6° |
| C7 | C6 | C9 | C10 | 0.3° | 1.4° |
| C6 | C7 | C5 | H2 | 179.7° | 178.6° |
| C6 | C7 | C8 | H3 | 179.7° | 178.7° |
| C7 | C6 | C9 | H6 | 179.7° | 178.7° |
| C8 | C11 | C10 | H7 | 180.0° | 177.3° |
| C8 | C11 | C10 | C9 | 0.0° | 3.5° |
| C8 | C11 | C10 | C12 | 179.9° | 179.3° |
| C6 | N3 | C13 | C14 | 90.0° | 90.0° |
| N3 | C6 | C9 | C10 | 179.8° | 180.0° |
| C6 | N3 | C13 | C18 | 90.4° | 90.3° |
| N3 | C6 | C9 | H6 | 0.2° | 0.1° |
| C13 | N3 | C6 | C9 | 0.2° | 0.1° |
| N3 | C13 | C14 | C18 | 179.5° | 179.7° |
| N3 | C13 | C14 | C15 | 179.7° | 180.0° |
| N3 | C13 | C18 | C17 | 179.9° | 180.0° |
| N3 | C13 | C14 | H8 | 0.3° | 0.1° |
| N3 | C13 | C18 | H10 | 0.1° | 0.0° |
| C6 | C9 | C10 | C11 | 0.3° | 2.8° |
| C6 | C9 | C10 | H6 | 180.0° | 179.9° |
| C6 | C9 | C10 | C12 | 179.8° | 179.9° |
| C11 | C10 | C9 | C12 | 179.8° | 177.3° |
| C11 | C10 | C12 | N4 | 88.2° | 175.3° |
| C10 | C11 | C8 | H3 | 179.7° | 177.3° |
| C11 | C10 | C9 | H6 | 179.7° | 177.3° |
| C13 | C14 | C15 | H8 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C18 | C17 | 0.3° | 0.3° |
| C13 | C14 | C15 | H4 | 179.9° | 179.7° |
| C14 | C13 | C18 | H10 | 179.7° | 179.7° |
| C15 | C14 | C13 | C18 | 0.2° | 0.3° |
| C14 | C15 | C16 | H4 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C14 | C15 | C16 | H9 | 179.9° | 179.7° |
| C9 | C10 | C12 | N4 | 91.9° | 7.4° |
| C9 | C10 | C11 | H7 | 180.0° | 179.2° |
| C13 | C18 | C17 | H10 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.4° | 0.0° |
| C13 | C18 | C17 | C19 | 179.9° | 179.6° |
| C18 | C13 | C14 | H8 | 179.8° | 179.8° |
| C12 | C10 | C9 | H6 | 0.2° | 0.0° |
| C12 | C10 | C11 | H7 | 0.1° | 2.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.4° |
| C15 | C16 | C17 | H9 | 180.0° | 180.0° |
| C15 | C16 | C17 | C19 | 179.8° | 180.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.9° |
| C18 | C17 | C16 | C19 | 179.5° | 179.6° |
| C18 | C17 | C19 | N6 | 1.3° | 0.4° |
| C18 | C17 | C19 | N5 | 177.8° | 180.0° |
| C18 | C17 | C16 | H9 | 179.7° | 179.7° |
| C16 | C17 | C19 | N6 | 179.2° | 180.0° |
| C16 | C17 | C19 | N5 | 1.7° | 0.4° |
| C17 | C16 | C15 | H4 | 179.9° | 180.0° |
| C16 | C17 | C18 | H10 | 179.6° | 180.0° |
| C17 | C19 | N6 | N5 | 179.3° | 179.7° |
| C17 | C19 | N6 | N7 | 179.5° | 180.0° |
| C17 | C19 | N5 | N8 | 179.5° | 179.9° |
| C19 | C17 | C16 | H9 | 0.2° | 0.1° |
| C19 | C17 | C18 | H10 | 0.1° | 0.4° |
| C17 | C19 | N5 | H11 | 0.5° | 0.1° |
| N6 | C19 | N5 | N8 | 0.2° | 0.3° |
| C19 | N6 | N7 | N8 | 0.2° | 0.2° |
| N6 | C19 | N5 | H11 | 179.8° | 179.8° |
| N5 | C19 | N6 | N7 | 0.3° | 0.3° |
| C19 | N5 | N8 | H11 | 180.0° | 180.0° |
| C19 | N5 | N8 | N7 | 0.1° | 0.2° |
| N6 | N7 | N8 | N5 | 0.1° | 0.0° |
| N7 | N8 | N5 | H11 | 180.0° | 179.9° |
| H3 | C8 | C11 | H7 | 0.3° | 0.0° |
| H4 | C15 | C14 | H8 | 0.1° | 0.2° |
| H4 | C15 | C16 | H9 | 0.1° | 0.0° |
