F5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C4 | sing | 1.46Å | 1.44Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.38Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H13 | sing | 1.01Å | 1.00Å | |
| N2 | H14 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N1 | C5 | 109.0° | 109.8° |
| N1 | C8 | C9 | 110.3° | 109.9° |
| C8 | N1 | H7 | 125.5° | 125.1° |
| N1 | C8 | H8 | 124.9° | 125.0° |
| N1 | C5 | C6 | 130.3° | 133.3° |
| N1 | C5 | C4 | 107.6° | 107.1° |
| C5 | N1 | H7 | 125.5° | 125.0° |
| C5 | C6 | C7 | 117.6° | 120.0° |
| C6 | C5 | C4 | 122.0° | 119.6° |
| C5 | C6 | H5 | 121.2° | 120.0° |
| C6 | C7 | C2 | 121.2° | 120.6° |
| C7 | C6 | H5 | 121.2° | 120.0° |
| C6 | C7 | H6 | 119.4° | 119.7° |
| C8 | C9 | C4 | 106.1° | 107.1° |
| C8 | C9 | C10 | 127.1° | 126.5° |
| C9 | C8 | H8 | 124.8° | 125.1° |
| C5 | C4 | C9 | 107.0° | 106.1° |
| C5 | C4 | C3 | 119.4° | 119.9° |
| C7 | C2 | C3 | 121.3° | 120.3° |
| C7 | C2 | O1 | 118.0° | 119.9° |
| C2 | C7 | H6 | 119.4° | 119.7° |
| C4 | C9 | C10 | 126.8° | 126.5° |
| C9 | C4 | C3 | 133.6° | 134.0° |
| C9 | C10 | C11 | 115.5° | 109.5° |
| C9 | C10 | H9 | 107.9° | 109.5° |
| C9 | C10 | H10 | 107.9° | 109.5° |
| C4 | C3 | C2 | 118.4° | 119.7° |
| C4 | C3 | H4 | 120.8° | 120.1° |
| C3 | C2 | O1 | 120.7° | 119.9° |
| C2 | C3 | H4 | 120.8° | 120.2° |
| C2 | O1 | C1 | 117.4° | 117.0° |
| C10 | C11 | N2 | 109.1° | 109.5° |
| C11 | C10 | H9 | 108.0° | 109.5° |
| C11 | C10 | H10 | 108.0° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| N2 | C11 | H11 | 109.6° | 109.5° |
| N2 | C11 | H12 | 109.6° | 109.5° |
| C11 | N2 | H13 | 109.5° | 111.0° |
| C11 | N2 | H14 | 109.4° | 111.0° |
| H9 | C10 | H10 | 109.4° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H13 | N2 | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N1 | C5 | H7 | 180.0° | 179.8° |
| C8 | N1 | C5 | C6 | 179.7° | 180.0° |
| N1 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | N1 | C5 | C4 | 0.2° | 0.0° |
| N1 | C8 | C9 | C4 | 0.4° | 0.0° |
| N1 | C8 | C9 | C10 | 179.6° | 179.9° |
| N1 | C5 | C6 | C4 | 180.0° | 179.9° |
| N1 | C5 | C6 | C7 | 179.8° | 179.9° |
| C5 | N1 | C8 | C9 | 0.4° | 0.0° |
| N1 | C5 | C4 | C9 | 0.0° | 0.0° |
| N1 | C5 | C4 | C3 | 179.9° | 180.0° |
| N1 | C5 | C6 | H5 | 0.3° | 0.1° |
| C5 | N1 | C8 | H8 | 179.6° | 180.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.3° | 0.0° |
| C6 | C5 | C4 | C9 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | N1 | H7 | 0.2° | 0.1° |
| C5 | C6 | C7 | H6 | 179.6° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | C2 | H6 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 1.3° | 0.0° |
| C6 | C7 | C2 | O1 | 179.4° | 180.0° |
| C8 | C9 | C4 | C5 | 0.2° | 0.0° |
| C8 | C9 | C4 | C10 | 179.3° | 180.0° |
| C8 | C9 | C4 | C3 | 179.9° | 180.0° |
| C8 | C9 | C10 | C11 | 152.1° | 95.0° |
| C9 | C8 | N1 | H7 | 179.6° | 179.8° |
| C8 | C9 | C10 | H9 | 31.2° | 144.9° |
| C8 | C9 | C10 | H10 | 87.0° | 25.0° |
| C5 | C4 | C9 | C3 | 179.9° | 180.0° |
| C5 | C4 | C9 | C10 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 1.0° | 0.1° |
| C4 | C5 | N1 | H7 | 179.8° | 179.8° |
| C4 | C5 | C6 | H5 | 179.7° | 180.0° |
| C5 | C4 | C3 | H4 | 179.0° | 180.0° |
| C7 | C2 | C3 | C4 | 1.6° | 0.1° |
| C7 | C2 | C3 | O1 | 178.1° | 179.9° |
| C7 | C2 | O1 | C1 | 55.8° | 0.0° |
| C2 | C7 | C6 | H5 | 179.7° | 180.0° |
| C7 | C2 | C3 | H4 | 178.4° | 180.0° |
| C9 | C4 | C3 | C2 | 179.1° | 179.9° |
| C4 | C9 | C10 | C11 | 28.8° | 84.9° |
| C4 | C9 | C8 | H8 | 179.6° | 180.0° |
| C4 | C9 | C10 | H9 | 149.7° | 35.1° |
| C4 | C9 | C10 | H10 | 92.1° | 155.0° |
| C9 | C4 | C3 | H4 | 0.9° | 0.1° |
| C10 | C9 | C4 | C3 | 0.6° | 0.0° |
| C9 | C10 | C11 | H9 | 120.9° | 120.0° |
| C9 | C10 | C11 | H10 | 120.9° | 120.0° |
| C9 | C10 | C11 | N2 | 172.9° | 180.0° |
| C10 | C9 | C8 | H8 | 0.3° | 0.0° |
| C9 | C10 | H9 | H10 | 117.2° | 120.0° |
| C9 | C10 | C11 | H11 | 67.1° | 60.0° |
| C9 | C10 | C11 | H12 | 53.0° | 60.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | O1 | 179.7° | 180.0° |
| C3 | C2 | O1 | C1 | 126.1° | 179.9° |
| C3 | C2 | C7 | H6 | 178.7° | 180.0° |
| O1 | C2 | C7 | H6 | 0.6° | 0.1° |
| C2 | O1 | C1 | H3 | 180.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 180.0° |
| O1 | C2 | C3 | H4 | 0.3° | 0.1° |
| C10 | C11 | N2 | H11 | 119.9° | 120.0° |
| C10 | C11 | N2 | H12 | 119.9° | 119.9° |
| C11 | C10 | H9 | H10 | 117.3° | 120.0° |
| C10 | C11 | H11 | H12 | 120.1° | 120.0° |
| C10 | C11 | N2 | H13 | 180.0° | 56.0° |
| C10 | C11 | N2 | H14 | 60.0° | 180.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H2 | 120.0° | 119.9° |
| N2 | C11 | C10 | H9 | 52.1° | 60.0° |
| N2 | C11 | C10 | H10 | 66.1° | 59.9° |
| N2 | C11 | H11 | H12 | 120.2° | 120.0° |
| C11 | N2 | H13 | H14 | 120.0° | 124.0° |
| H7 | N1 | C8 | H8 | 0.4° | 0.2° |
| H5 | C6 | C7 | H6 | 0.3° | 0.0° |
| H9 | C10 | C11 | H11 | 172.0° | 60.0° |
| H9 | C10 | C11 | H12 | 67.9° | 179.9° |
| H10 | C10 | C11 | H11 | 53.8° | 180.0° |
| H10 | C10 | C11 | H12 | 173.9° | 60.0° |
| H3 | C1 | H1 | H2 | 120.0° | 120.1° |
| H11 | C11 | N2 | H13 | 60.0° | 64.0° |
| H11 | C11 | N2 | H14 | 179.9° | 60.0° |
| H12 | C11 | N2 | H13 | 60.1° | 175.9° |
| H12 | C11 | N2 | H14 | 59.9° | 60.1° |
