F1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C9 | sing | 1.40Å | 1.38Å | |
| N3 | N4 | sing | 1.29Å | 1.41Å | Aromatic |
| N3 | C13 | sing | 1.35Å | 1.34Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| N4 | N5 | doub | 1.29Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | N1 | sing | 1.46Å | 1.47Å | |
| C13 | N6 | doub | 1.31Å | 1.34Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.54Å | |
| N5 | N6 | sing | 1.29Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.47Å | 1.45Å | |
| N1 | C4 | sing | 1.35Å | 1.32Å | |
| O2 | C4 | doub | 1.22Å | 1.24Å | |
| C4 | N | sing | 1.35Å | 1.33Å | |
| O1 | C2 | doub | 1.21Å | 1.20Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | O | sing | 1.45Å | 1.45Å | |
| N | C3 | sing | 1.47Å | 1.45Å | |
| C2 | O | sing | 1.34Å | 1.33Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C9 | C8 | 121.7° | 120.1° |
| N2 | C9 | C10 | 119.5° | 120.1° |
| C9 | N2 | H16 | 109.5° | 120.0° |
| C9 | N2 | H17 | 109.5° | 120.0° |
| N4 | N3 | C13 | 106.9° | 107.1° |
| N3 | N4 | N5 | 107.5° | 108.8° |
| N4 | N3 | H3 | 126.6° | 126.4° |
| N3 | C13 | C12 | 124.5° | 126.6° |
| N3 | C13 | N6 | 108.6° | 106.7° |
| C13 | N3 | H3 | 126.6° | 126.5° |
| C8 | C9 | C10 | 118.7° | 119.9° |
| C9 | C8 | C7 | 119.2° | 119.9° |
| C9 | C8 | H18 | 120.4° | 120.0° |
| C9 | C10 | C11 | 122.5° | 119.9° |
| C9 | C10 | H4 | 118.7° | 120.1° |
| N4 | N5 | N6 | 105.4° | 109.5° |
| C8 | C7 | C6 | 122.2° | 120.1° |
| C7 | C8 | H18 | 120.4° | 120.0° |
| C8 | C7 | H19 | 118.9° | 120.0° |
| C10 | C11 | C6 | 119.1° | 120.1° |
| C11 | C10 | H4 | 118.8° | 120.0° |
| C10 | C11 | H7 | 120.5° | 119.9° |
| C13 | C12 | N1 | 115.1° | 109.4° |
| C12 | C13 | N6 | 126.9° | 126.7° |
| C13 | C12 | H5 | 108.1° | 109.4° |
| C13 | C12 | H6 | 108.1° | 109.5° |
| C12 | N1 | C5 | 110.4° | 120.0° |
| C12 | N1 | C4 | 120.2° | 120.0° |
| N1 | C12 | H5 | 108.0° | 109.5° |
| N1 | C12 | H6 | 108.0° | 109.5° |
| C13 | N6 | N5 | 111.6° | 108.0° |
| C7 | C6 | C11 | 118.3° | 120.1° |
| C7 | C6 | C5 | 119.9° | 120.0° |
| C6 | C7 | H19 | 118.9° | 120.0° |
| C11 | C6 | C5 | 121.8° | 119.9° |
| C6 | C11 | H7 | 120.4° | 120.0° |
| C6 | C5 | N1 | 115.2° | 109.5° |
| C6 | C5 | H1 | 108.0° | 109.5° |
| C6 | C5 | H2 | 108.0° | 109.5° |
| C5 | N1 | C4 | 129.3° | 120.0° |
| N1 | C5 | H1 | 108.0° | 109.5° |
| N1 | C5 | H2 | 108.0° | 109.4° |
| N1 | C4 | O2 | 121.2° | 120.0° |
| N1 | C4 | N | 121.2° | 120.0° |
| O2 | C4 | N | 117.6° | 120.0° |
| C4 | N | C3 | 119.4° | 120.0° |
| C4 | N | H8 | 120.3° | 120.1° |
| O1 | C2 | O | 121.2° | 120.0° |
| O1 | C2 | C3 | 123.9° | 120.0° |
| C | C1 | O | 110.3° | 109.5° |
| C | C1 | H11 | 109.3° | 109.5° |
| C | C1 | H12 | 109.3° | 109.5° |
| C1 | C | H13 | 109.5° | 109.4° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | O | C2 | 119.5° | 117.0° |
| O | C1 | H11 | 109.3° | 109.4° |
| O | C1 | H12 | 109.3° | 109.4° |
| N | C3 | C2 | 112.4° | 109.5° |
| C3 | N | H8 | 120.3° | 120.0° |
| N | C3 | H9 | 108.8° | 109.5° |
| N | C3 | H10 | 108.7° | 109.5° |
| O | C2 | C3 | 114.8° | 120.1° |
| C2 | C3 | H9 | 108.7° | 109.4° |
| C2 | C3 | H10 | 108.8° | 109.5° |
| H1 | C5 | H2 | 109.4° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.4° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.5° |
| H14 | C | H15 | 109.4° | 109.5° |
| H16 | N2 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C9 | C8 | C10 | 177.5° | 179.5° |
| N2 | C9 | C8 | C7 | 179.2° | 180.0° |
| N2 | C9 | C10 | C11 | 179.0° | 179.5° |
| N2 | C9 | C10 | H4 | 1.0° | 0.2° |
| C9 | N2 | H16 | H17 | 120.0° | 180.0° |
| N2 | C9 | C8 | H18 | 0.9° | 0.4° |
| N4 | N3 | C13 | H3 | 180.0° | 179.8° |
| N4 | N3 | C13 | C12 | 179.5° | 180.0° |
| N4 | N3 | C13 | N6 | 2.2° | 0.0° |
| N3 | N4 | N5 | N6 | 0.1° | 0.0° |
| C13 | N3 | N4 | N5 | 1.3° | 0.0° |
| N3 | C13 | C12 | N6 | 178.0° | 180.0° |
| N3 | C13 | C12 | N1 | 156.2° | 95.0° |
| N3 | C13 | N6 | N5 | 2.3° | 0.0° |
| N3 | C13 | C12 | H5 | 83.0° | 25.0° |
| N3 | C13 | C12 | H6 | 35.4° | 145.0° |
| C9 | C8 | C7 | H18 | 180.0° | 179.6° |
| C8 | C9 | C10 | C11 | 1.5° | 0.1° |
| C9 | C8 | C7 | C6 | 0.1° | 0.7° |
| C8 | C9 | C10 | H4 | 178.5° | 179.8° |
| C8 | C9 | N2 | H16 | 180.0° | 0.0° |
| C8 | C9 | N2 | H17 | 60.0° | 180.0° |
| C9 | C8 | C7 | H19 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 1.6° | 0.4° |
| C9 | C10 | C11 | H4 | 180.0° | 179.7° |
| C9 | C10 | C11 | C6 | 0.3° | 0.3° |
| C9 | C10 | C11 | H7 | 179.6° | 179.8° |
| C10 | C9 | N2 | H16 | 2.5° | 179.6° |
| C10 | C9 | N2 | H17 | 122.5° | 0.5° |
| C10 | C9 | C8 | H18 | 178.4° | 180.0° |
| N4 | N5 | N6 | C13 | 1.5° | 0.0° |
| N5 | N4 | N3 | H3 | 178.7° | 179.8° |
| C8 | C7 | C6 | H19 | 180.0° | 179.3° |
| C8 | C7 | C6 | C11 | 1.7° | 0.5° |
| C8 | C7 | C6 | C5 | 176.8° | 179.5° |
| C10 | C11 | C6 | C7 | 1.9° | 0.0° |
| C10 | C11 | C6 | H7 | 180.0° | 179.9° |
| C10 | C11 | C6 | C5 | 176.6° | 180.0° |
| C13 | C12 | N1 | H5 | 120.8° | 119.9° |
| C13 | C12 | N1 | H6 | 120.8° | 120.0° |
| C12 | C13 | N6 | N5 | 179.4° | 180.0° |
| C13 | C12 | N1 | C5 | 120.9° | 90.0° |
| C13 | C12 | N1 | C4 | 62.2° | 90.3° |
| C12 | C13 | N3 | H3 | 0.5° | 0.2° |
| C13 | C12 | H5 | H6 | 117.5° | 120.0° |
| N1 | C12 | C13 | N6 | 21.8° | 85.0° |
| C12 | N1 | C5 | C6 | 75.4° | 90.3° |
| C12 | N1 | C5 | C4 | 176.5° | 179.7° |
| C12 | N1 | C4 | O2 | 0.7° | 179.7° |
| C12 | N1 | C4 | N | 179.6° | 0.3° |
| C12 | N1 | C5 | H1 | 45.5° | 29.7° |
| C12 | N1 | C5 | H2 | 163.7° | 149.7° |
| N1 | C12 | H5 | H6 | 117.4° | 120.0° |
| N6 | C13 | N3 | H3 | 177.8° | 179.7° |
| N6 | C13 | C12 | H5 | 99.0° | 155.0° |
| N6 | C13 | C12 | H6 | 142.6° | 35.0° |
| C7 | C6 | C11 | C5 | 178.5° | 180.0° |
| C7 | C6 | C5 | N1 | 149.9° | 90.0° |
| C7 | C6 | C5 | H1 | 29.1° | 150.0° |
| C7 | C6 | C5 | H2 | 89.2° | 30.0° |
| C7 | C6 | C11 | H7 | 178.1° | 180.0° |
| C6 | C7 | C8 | H18 | 180.0° | 179.7° |
| C11 | C6 | C5 | N1 | 31.6° | 90.0° |
| C11 | C6 | C5 | H1 | 152.5° | 30.0° |
| C11 | C6 | C5 | H2 | 89.3° | 150.0° |
| C6 | C11 | C10 | H4 | 179.7° | 180.0° |
| C11 | C6 | C7 | H19 | 178.3° | 179.8° |
| C6 | C5 | N1 | H1 | 120.9° | 120.0° |
| C6 | C5 | N1 | H2 | 120.9° | 120.0° |
| C6 | C5 | N1 | C4 | 101.1° | 89.9° |
| C6 | C5 | H1 | H2 | 117.4° | 120.0° |
| C5 | C6 | C11 | H7 | 3.4° | 0.0° |
| C5 | C6 | C7 | H19 | 3.2° | 0.2° |
| C5 | N1 | C4 | O2 | 175.5° | 0.1° |
| C5 | N1 | C4 | N | 4.2° | 180.0° |
| N1 | C5 | H1 | H2 | 117.4° | 120.0° |
| C5 | N1 | C12 | H5 | 0.1° | 150.1° |
| C5 | N1 | C12 | H6 | 118.3° | 30.0° |
| N1 | C4 | O2 | N | 179.7° | 179.9° |
| N1 | C4 | N | C3 | 177.3° | 180.0° |
| C4 | N1 | C5 | H1 | 138.0° | 150.0° |
| C4 | N1 | C5 | H2 | 19.8° | 30.1° |
| C4 | N1 | C12 | H5 | 176.9° | 29.7° |
| C4 | N1 | C12 | H6 | 58.6° | 149.8° |
| N1 | C4 | N | H8 | 2.7° | 0.0° |
| O2 | C4 | N | C3 | 2.5° | 0.1° |
| O2 | C4 | N | H8 | 177.5° | 179.9° |
| C4 | N | C3 | H8 | 180.0° | 180.0° |
| C4 | N | C3 | C2 | 62.4° | 180.0° |
| C4 | N | C3 | H9 | 58.1° | 60.0° |
| C4 | N | C3 | H10 | 177.2° | 60.0° |
| O1 | C2 | O | C1 | 6.0° | 0.0° |
| O1 | C2 | C3 | N | 38.0° | 0.0° |
| O1 | C2 | O | C3 | 177.3° | 180.0° |
| O1 | C2 | C3 | H9 | 158.5° | 120.0° |
| O1 | C2 | C3 | H10 | 82.4° | 120.0° |
| C | C1 | O | H11 | 120.1° | 120.0° |
| C | C1 | O | H12 | 120.1° | 120.1° |
| C | C1 | O | C2 | 177.6° | 180.0° |
| C | C1 | H11 | H12 | 119.6° | 120.1° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | O | C2 | C3 | 176.7° | 180.0° |
| O | C1 | H11 | H12 | 119.6° | 119.9° |
| O | C1 | C | H13 | 180.0° | 180.0° |
| O | C1 | C | H14 | 60.0° | 60.0° |
| O | C1 | C | H15 | 60.0° | 60.0° |
| N | C3 | C2 | O | 144.8° | 180.0° |
| N | C3 | C2 | H9 | 120.5° | 120.0° |
| N | C3 | C2 | H10 | 120.4° | 120.0° |
| N | C3 | H9 | H10 | 118.7° | 120.0° |
| O | C2 | C3 | H9 | 24.3° | 60.0° |
| O | C2 | C3 | H10 | 94.8° | 60.0° |
| C2 | O | C1 | H11 | 57.4° | 60.0° |
| C2 | O | C1 | H12 | 62.3° | 60.0° |
| C2 | C3 | N | H8 | 117.6° | 0.0° |
| C2 | C3 | H9 | H10 | 118.7° | 120.0° |
| H4 | C10 | C11 | H7 | 0.3° | 0.1° |
| H8 | N | C3 | H9 | 121.9° | 119.9° |
| H8 | N | C3 | H10 | 2.8° | 120.0° |
| H11 | C1 | C | H13 | 59.9° | 60.0° |
| H11 | C1 | C | H14 | 60.2° | 180.0° |
| H11 | C1 | C | H15 | 179.9° | 60.0° |
| H12 | C1 | C | H13 | 59.9° | 60.0° |
| H12 | C1 | C | H14 | 179.9° | 59.9° |
| H12 | C1 | C | H15 | 60.1° | 180.0° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
| H18 | C8 | C7 | H19 | 0.0° | 0.4° |
