F2K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C10 | doub | 1.22Å | 1.23Å | |
| N1 | C10 | sing | 1.35Å | 1.38Å | |
| N1 | C9 | sing | 1.35Å | 1.37Å | |
| C10 | C7 | sing | 1.41Å | 1.45Å | |
| O1 | C9 | doub | 1.22Å | 1.23Å | |
| C9 | N | sing | 1.34Å | 1.37Å | |
| C7 | C6 | sing | 1.50Å | 1.52Å | |
| C7 | C8 | doub | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.51Å | 1.53Å | |
| C6 | C12 | sing | 1.50Å | 1.52Å | |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| N | C8 | sing | 1.37Å | 1.41Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | CL | sing | 1.74Å | 1.74Å | |
| C | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | O2 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | doub | 1.36Å | 1.36Å | |
| O2 | C11 | sing | 1.34Å | 1.37Å | |
| C13 | N2 | trip | 1.14Å | 1.14Å | |
| C11 | N3 | sing | 1.37Å | 1.33Å | |
| C | H2 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C10 | N1 | 120.1° | 120.2° |
| O | C10 | C7 | 123.9° | 120.2° |
| C10 | N1 | C9 | 126.6° | 120.4° |
| N1 | C10 | C7 | 115.9° | 119.6° |
| C10 | N1 | H8 | 116.7° | 119.9° |
| N1 | C9 | O1 | 122.1° | 119.5° |
| N1 | C9 | N | 115.9° | 121.0° |
| C9 | N1 | H8 | 116.7° | 119.8° |
| C10 | C7 | C6 | 122.4° | 119.8° |
| C10 | C7 | C8 | 118.5° | 119.2° |
| O1 | C9 | N | 121.9° | 119.5° |
| C9 | N | C8 | 121.1° | 120.5° |
| C9 | N | H7 | 119.5° | 119.8° |
| C6 | C7 | C8 | 119.0° | 121.0° |
| C7 | C6 | C1 | 113.1° | 109.4° |
| C7 | C6 | C12 | 108.2° | 110.1° |
| C7 | C6 | H6 | 108.7° | 109.3° |
| C7 | C8 | N | 122.0° | 119.3° |
| C7 | C8 | O2 | 126.1° | 121.2° |
| C3 | C2 | C1 | 121.0° | 120.0° |
| C2 | C3 | C4 | 119.2° | 120.0° |
| C3 | C2 | H3 | 119.5° | 120.0° |
| C2 | C3 | H4 | 120.4° | 120.0° |
| C2 | C1 | C6 | 121.2° | 120.0° |
| C2 | C1 | C | 118.4° | 120.0° |
| C1 | C2 | H3 | 119.5° | 120.0° |
| C3 | C4 | C5 | 121.2° | 119.9° |
| C3 | C4 | CL | 119.5° | 120.1° |
| C4 | C3 | H4 | 120.4° | 120.0° |
| C1 | C6 | C12 | 109.5° | 109.4° |
| C6 | C1 | C | 120.3° | 120.0° |
| C1 | C6 | H6 | 108.6° | 109.3° |
| C6 | C12 | C13 | 118.1° | 119.6° |
| C6 | C12 | C11 | 123.0° | 120.8° |
| C12 | C6 | H6 | 108.7° | 109.3° |
| C1 | C | C5 | 121.2° | 120.0° |
| C1 | C | H2 | 119.4° | 120.0° |
| N | C8 | O2 | 111.8° | 119.5° |
| C8 | N | H7 | 119.4° | 119.7° |
| C5 | C4 | CL | 119.3° | 120.0° |
| C4 | C5 | C | 119.1° | 120.0° |
| C4 | C5 | H5 | 120.5° | 120.0° |
| C5 | C | H2 | 119.4° | 120.0° |
| C | C5 | H5 | 120.4° | 120.0° |
| C8 | O2 | C11 | 114.5° | 120.1° |
| C13 | C12 | C11 | 118.6° | 119.6° |
| C12 | C13 | N2 | 177.5° | 180.0° |
| C12 | C11 | O2 | 121.8° | 121.6° |
| C12 | C11 | N3 | 127.9° | 119.2° |
| O2 | C11 | N3 | 110.3° | 119.2° |
| C11 | N3 | H1 | 109.5° | 120.0° |
| C11 | N3 | H | 109.5° | 120.0° |
| H1 | N3 | H | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C10 | N1 | C7 | 177.6° | 179.6° |
| O | C10 | N1 | C9 | 177.2° | 179.8° |
| O | C10 | C7 | C6 | 0.7° | 0.4° |
| O | C10 | C7 | C8 | 177.0° | 179.9° |
| O | C10 | N1 | H8 | 2.8° | 0.4° |
| C10 | N1 | C9 | H8 | 180.0° | 179.8° |
| C10 | N1 | C9 | O1 | 179.3° | 180.0° |
| C10 | N1 | C9 | N | 0.3° | 0.0° |
| N1 | C10 | C7 | C6 | 176.8° | 180.0° |
| N1 | C10 | C7 | C8 | 0.6° | 0.5° |
| C9 | N1 | C10 | C7 | 0.4° | 0.2° |
| N1 | C9 | O1 | N | 179.5° | 180.0° |
| N1 | C9 | N | C8 | 0.2° | 0.0° |
| N1 | C9 | N | H7 | 179.8° | 179.7° |
| C10 | C7 | C6 | C8 | 176.2° | 179.5° |
| C10 | C7 | C6 | C1 | 81.5° | 76.9° |
| C10 | C7 | C6 | C12 | 157.0° | 162.9° |
| C10 | C7 | C8 | N | 0.6° | 0.5° |
| C10 | C7 | C8 | O2 | 176.1° | 179.6° |
| C10 | C7 | C6 | H6 | 39.1° | 42.8° |
| C7 | C10 | N1 | H8 | 179.6° | 180.0° |
| O1 | C9 | N | C8 | 179.3° | 180.0° |
| O1 | C9 | N | H7 | 0.7° | 0.3° |
| O1 | C9 | N1 | H8 | 0.7° | 0.2° |
| C9 | N | C8 | C7 | 0.5° | 0.2° |
| C9 | N | C8 | H7 | 180.0° | 179.8° |
| C9 | N | C8 | O2 | 176.6° | 179.8° |
| N | C9 | N1 | H8 | 179.8° | 179.8° |
| C7 | C6 | C1 | C2 | 7.6° | 60.4° |
| C7 | C6 | C1 | C12 | 120.8° | 120.7° |
| C7 | C6 | C1 | H6 | 120.7° | 119.6° |
| C7 | C6 | C12 | H6 | 117.9° | 120.1° |
| C7 | C6 | C1 | C | 175.6° | 119.3° |
| C6 | C7 | C8 | N | 177.0° | 180.0° |
| C6 | C7 | C8 | O2 | 0.3° | 0.1° |
| C7 | C6 | C12 | C13 | 168.7° | 163.3° |
| C7 | C6 | C12 | C11 | 17.5° | 16.7° |
| C8 | C7 | C6 | C1 | 102.3° | 103.6° |
| C8 | C7 | C6 | C12 | 19.2° | 16.6° |
| C7 | C8 | N | O2 | 177.1° | 180.0° |
| C7 | C8 | O2 | C11 | 22.7° | 19.2° |
| C7 | C8 | N | H7 | 179.6° | 180.0° |
| C8 | C7 | C6 | H6 | 137.1° | 136.7° |
| C3 | C2 | C1 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 176.2° | 179.7° |
| C3 | C2 | C1 | C | 0.7° | 0.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | CL | 178.1° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C | 176.8° | 179.7° |
| C2 | C1 | C6 | C12 | 113.2° | 60.3° |
| C2 | C1 | C | C5 | 0.9° | 0.0° |
| C2 | C1 | C | H2 | 179.1° | 180.0° |
| C1 | C2 | C3 | H4 | 179.8° | 179.9° |
| C2 | C1 | C6 | H6 | 128.3° | 180.0° |
| C3 | C4 | C5 | CL | 179.0° | 179.9° |
| C3 | C4 | C5 | C | 0.7° | 0.1° |
| C4 | C3 | C2 | H3 | 179.8° | 179.9° |
| C3 | C4 | C5 | H5 | 179.3° | 179.9° |
| C1 | C6 | C12 | H6 | 118.5° | 119.7° |
| C6 | C1 | C | C5 | 176.0° | 179.7° |
| C1 | C6 | C12 | C13 | 67.7° | 76.5° |
| C1 | C6 | C12 | C11 | 106.2° | 103.6° |
| C6 | C1 | C | H2 | 4.0° | 0.3° |
| C6 | C1 | C2 | H3 | 3.8° | 0.2° |
| C12 | C6 | C1 | C | 63.6° | 120.0° |
| C6 | C12 | C13 | C11 | 174.2° | 180.0° |
| C6 | C12 | C11 | O2 | 4.1° | 0.0° |
| C6 | C12 | C13 | N2 | 30.8° | 173.1° |
| C6 | C12 | C11 | N3 | 179.2° | 180.0° |
| C1 | C | C5 | C4 | 0.2° | 0.1° |
| C1 | C | C5 | H2 | 180.0° | 180.0° |
| C | C1 | C2 | H3 | 179.3° | 179.9° |
| C1 | C | C5 | H5 | 179.8° | 179.9° |
| C | C1 | C6 | H6 | 54.9° | 0.3° |
| N | C8 | O2 | C11 | 154.2° | 160.8° |
| C4 | C5 | C | H5 | 180.0° | 180.0° |
| C4 | C5 | C | H2 | 179.8° | 180.0° |
| C5 | C4 | C3 | H4 | 179.2° | 180.0° |
| CL | C4 | C5 | C | 178.3° | 180.0° |
| CL | C4 | C3 | H4 | 1.9° | 0.1° |
| CL | C4 | C5 | H5 | 1.7° | 0.0° |
| C8 | O2 | C11 | C12 | 24.5° | 19.3° |
| C8 | O2 | C11 | N3 | 158.3° | 160.8° |
| O2 | C8 | N | H7 | 3.4° | 0.1° |
| C13 | C12 | C11 | O2 | 169.7° | 180.0° |
| C13 | C12 | C11 | N3 | 6.9° | 0.1° |
| C13 | C12 | C6 | H6 | 50.8° | 43.2° |
| C12 | C11 | O2 | N3 | 177.2° | 180.0° |
| C11 | C12 | C13 | N2 | 143.4° | 7.0° |
| C11 | C12 | C6 | H6 | 135.3° | 136.7° |
| C12 | C11 | N3 | H1 | 177.0° | 0.0° |
| C12 | C11 | N3 | H | 63.0° | 180.0° |
| O2 | C11 | N3 | H1 | 0.0° | 180.0° |
| O2 | C11 | N3 | H | 120.0° | 0.0° |
| C11 | N3 | H1 | H | 120.1° | 180.0° |
| H2 | C | C5 | H5 | 0.2° | 0.0° |
| H3 | C2 | C3 | H4 | 0.2° | 0.0° |
