F1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.33Å | 1.32Å | Aromatic |
| N1 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| O | C2 | sing | 1.34Å | 1.33Å | Aromatic |
| O | N | sing | 1.21Å | 1.43Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N | C1 | doub | 1.30Å | 1.30Å | Aromatic |
| C13 | C1 | sing | 1.46Å | 1.43Å | Aromatic |
| C13 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| N2 | C5 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C5 | N3 | sing | 1.38Å | 1.36Å | |
| N3 | C6 | sing | 1.40Å | 1.41Å | |
| C6 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.50Å | |
| F1 | C12 | sing | 1.40Å | 1.34Å | |
| C12 | F2 | sing | 1.40Å | 1.34Å | |
| C12 | F | sing | 1.40Å | 1.33Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 112.9° | 120.7° |
| N1 | C2 | O | 122.8° | 136.4° |
| N1 | C2 | C13 | 130.2° | 118.4° |
| N1 | C3 | C4 | 117.3° | 118.6° |
| N1 | C3 | N2 | 125.6° | 122.9° |
| C2 | O | N | 110.4° | 112.9° |
| O | C2 | C13 | 107.0° | 105.3° |
| O | N | C1 | 106.4° | 113.4° |
| C4 | C3 | N2 | 117.1° | 118.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C2 | C13 | C1 | 105.9° | 103.1° |
| C2 | C13 | C5 | 109.7° | 119.1° |
| C3 | N2 | C5 | 118.6° | 120.9° |
| N | C1 | C13 | 110.3° | 105.3° |
| N | C1 | C | 119.7° | 127.4° |
| C1 | C13 | C5 | 144.4° | 137.8° |
| C13 | C1 | C | 129.8° | 127.3° |
| C13 | C5 | N2 | 122.5° | 118.1° |
| C13 | C5 | N3 | 118.7° | 121.0° |
| N2 | C5 | N3 | 118.8° | 121.0° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.4° | 109.5° |
| C5 | N3 | C6 | 132.5° | 120.0° |
| C5 | N3 | H1 | 113.8° | 120.0° |
| N3 | C6 | C11 | 122.9° | 120.1° |
| N3 | C6 | C7 | 117.9° | 120.0° |
| C6 | N3 | H1 | 113.7° | 119.9° |
| C11 | C6 | C7 | 119.1° | 119.8° |
| C6 | C11 | C10 | 120.2° | 119.9° |
| C6 | C11 | H8 | 119.9° | 120.0° |
| C6 | C7 | C8 | 120.2° | 119.9° |
| C6 | C7 | H5 | 119.9° | 120.1° |
| C11 | C10 | C9 | 120.9° | 120.1° |
| C11 | C10 | H7 | 119.5° | 119.9° |
| C10 | C11 | H8 | 119.9° | 120.1° |
| C7 | C8 | C9 | 121.0° | 120.1° |
| C8 | C7 | H5 | 119.9° | 120.0° |
| C7 | C8 | H6 | 119.5° | 120.0° |
| C10 | C9 | C8 | 118.5° | 120.1° |
| C10 | C9 | C12 | 120.8° | 119.9° |
| C9 | C10 | H7 | 119.6° | 120.0° |
| C8 | C9 | C12 | 120.7° | 119.9° |
| C9 | C8 | H6 | 119.5° | 120.0° |
| C9 | C12 | F1 | 112.6° | 109.5° |
| C9 | C12 | F2 | 112.7° | 109.5° |
| C9 | C12 | F | 112.6° | 109.5° |
| F1 | C12 | F2 | 105.9° | 109.5° |
| F1 | C12 | F | 107.0° | 109.5° |
| F2 | C12 | F | 105.6° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H4 | 109.5° | 109.4° |
| H3 | C4 | H4 | 109.4° | 109.4° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | O | C13 | 178.1° | 179.9° |
| N1 | C2 | O | N | 177.4° | 179.9° |
| C2 | N1 | C3 | C4 | 177.9° | 180.0° |
| C2 | N1 | C3 | N2 | 1.4° | 0.0° |
| N1 | C2 | C13 | C1 | 176.5° | 180.0° |
| N1 | C2 | C13 | C5 | 1.9° | 0.1° |
| C3 | N1 | C2 | O | 175.5° | 179.9° |
| N1 | C3 | C4 | N2 | 176.8° | 180.0° |
| C3 | N1 | C2 | C13 | 2.1° | 0.0° |
| N1 | C3 | N2 | C5 | 3.6° | 0.0° |
| N1 | C3 | C4 | H2 | 0.0° | 90.0° |
| N1 | C3 | C4 | H3 | 120.0° | 150.0° |
| N1 | C3 | C4 | H4 | 120.0° | 30.0° |
| C2 | O | N | C1 | 0.4° | 0.0° |
| O | C2 | C13 | C1 | 1.4° | 0.0° |
| O | C2 | C13 | C5 | 179.8° | 180.0° |
| N | O | C2 | C13 | 0.7° | 0.0° |
| O | N | C1 | C13 | 1.3° | 0.0° |
| O | N | C1 | C | 173.5° | 180.0° |
| C4 | C3 | N2 | C5 | 172.9° | 180.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.1° |
| C3 | C4 | H2 | H4 | 120.0° | 120.0° |
| C3 | C4 | H3 | H4 | 120.0° | 120.0° |
| C2 | C13 | C1 | N | 1.7° | 0.0° |
| C2 | C13 | C1 | C5 | 177.5° | 180.0° |
| C2 | C13 | C5 | N2 | 7.2° | 0.1° |
| C2 | C13 | C1 | C | 172.4° | 180.0° |
| C2 | C13 | C5 | N3 | 172.6° | 180.0° |
| C3 | N2 | C5 | C13 | 8.3° | 0.1° |
| C3 | N2 | C5 | N3 | 171.5° | 179.9° |
| N2 | C3 | C4 | H2 | 176.8° | 90.0° |
| N2 | C3 | C4 | H3 | 63.2° | 30.0° |
| N2 | C3 | C4 | H4 | 56.8° | 150.0° |
| N | C1 | C13 | C | 174.1° | 180.0° |
| N | C1 | C13 | C5 | 179.1° | 180.0° |
| N | C1 | C | H9 | 0.0° | 90.0° |
| N | C1 | C | H10 | 120.0° | 30.1° |
| N | C1 | C | H11 | 120.0° | 150.1° |
| C1 | C13 | C5 | N2 | 170.2° | 179.9° |
| C1 | C13 | C5 | N3 | 10.0° | 0.1° |
| C13 | C1 | C | H9 | 173.6° | 90.0° |
| C13 | C1 | C | H10 | 66.4° | 150.0° |
| C13 | C1 | C | H11 | 53.6° | 30.0° |
| C13 | C5 | N2 | N3 | 179.8° | 179.9° |
| C5 | C13 | C1 | C | 5.1° | 0.1° |
| C13 | C5 | N3 | C6 | 158.6° | 174.4° |
| C13 | C5 | N3 | H1 | 21.4° | 5.6° |
| N2 | C5 | N3 | C6 | 21.5° | 5.4° |
| N2 | C5 | N3 | H1 | 158.5° | 174.5° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C5 | N3 | C6 | H1 | 180.0° | 179.9° |
| C5 | N3 | C6 | C11 | 16.4° | 147.2° |
| C5 | N3 | C6 | C7 | 166.2° | 33.0° |
| N3 | C6 | C11 | C7 | 177.4° | 179.8° |
| N3 | C6 | C11 | C10 | 179.7° | 179.7° |
| N3 | C6 | C7 | C8 | 178.4° | 180.0° |
| N3 | C6 | C7 | H5 | 1.6° | 0.0° |
| N3 | C6 | C11 | H8 | 0.3° | 0.1° |
| C6 | C11 | C10 | H8 | 180.0° | 179.8° |
| C11 | C6 | C7 | C8 | 4.1° | 0.2° |
| C6 | C11 | C10 | C9 | 0.8° | 0.5° |
| C11 | C6 | N3 | H1 | 163.6° | 32.7° |
| C11 | C6 | C7 | H5 | 175.9° | 179.8° |
| C6 | C11 | C10 | H7 | 179.2° | 179.8° |
| C7 | C6 | C11 | C10 | 2.3° | 0.5° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 2.8° | 0.0° |
| C7 | C6 | N3 | H1 | 13.8° | 147.0° |
| C6 | C7 | C8 | H6 | 177.2° | 180.0° |
| C7 | C6 | C11 | H8 | 177.7° | 179.7° |
| C11 | C10 | C9 | H7 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 2.1° | 0.3° |
| C11 | C10 | C9 | C12 | 176.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | C12 | 177.8° | 180.0° |
| C10 | C9 | C8 | C12 | 178.1° | 180.0° |
| C10 | C9 | C12 | F1 | 69.5° | 30.0° |
| C10 | C9 | C12 | F2 | 170.9° | 90.1° |
| C10 | C9 | C12 | F | 51.6° | 150.0° |
| C10 | C9 | C8 | H6 | 179.7° | 179.9° |
| C9 | C10 | C11 | H8 | 179.2° | 179.7° |
| C8 | C9 | C12 | F1 | 108.6° | 150.0° |
| C8 | C9 | C12 | F2 | 11.1° | 89.9° |
| C8 | C9 | C12 | F | 130.4° | 30.0° |
| C9 | C8 | C7 | H5 | 177.2° | 179.9° |
| C8 | C9 | C10 | H7 | 177.9° | 180.0° |
| C9 | C12 | F1 | F2 | 123.6° | 120.0° |
| C9 | C12 | F1 | F | 124.2° | 120.0° |
| C9 | C12 | F2 | F | 123.3° | 120.0° |
| C12 | C9 | C8 | H6 | 2.2° | 0.1° |
| C12 | C9 | C10 | H7 | 4.0° | 0.0° |
| F1 | C12 | F2 | F | 113.2° | 120.0° |
| H2 | C4 | H3 | H4 | 120.0° | 120.0° |
| H5 | C7 | C8 | H6 | 2.8° | 0.0° |
| H7 | C10 | C11 | H8 | 0.8° | 0.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
