6FX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C13 | doub | 1.21Å | 1.22Å | |
| C14 | O4 | sing | 1.45Å | 1.42Å | |
| C13 | O4 | sing | 1.35Å | 1.43Å | |
| C13 | C5 | sing | 1.48Å | 1.46Å | |
| C1 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.45Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.53Å | Aromatic |
| C3 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | O1 | sing | 1.35Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.41Å | Aromatic |
| O1 | C9 | sing | 1.34Å | 1.32Å | Aromatic |
| C7 | C8 | sing | 1.46Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.44Å | Aromatic |
| C9 | C12 | sing | 1.41Å | 1.40Å | |
| C8 | C10 | sing | 1.41Å | 1.43Å | |
| C12 | C11 | doub | 1.35Å | 1.45Å | |
| C10 | O2 | doub | 1.22Å | 1.32Å | |
| C10 | N2 | sing | 1.35Å | 1.36Å | |
| C11 | N2 | sing | 1.36Å | 1.38Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C13 | O4 | 119.4° | 120.0° |
| O3 | C13 | C5 | 119.2° | 120.0° |
| C14 | O4 | C13 | 118.8° | 117.0° |
| O4 | C14 | H2 | 109.5° | 109.5° |
| O4 | C14 | H3 | 109.5° | 109.5° |
| O4 | C14 | H4 | 109.5° | 109.4° |
| O4 | C13 | C5 | 121.3° | 120.0° |
| C13 | C5 | C1 | 116.4° | 120.4° |
| C13 | C5 | C4 | 120.4° | 120.5° |
| C5 | C1 | N1 | 126.6° | 120.8° |
| C1 | C5 | C4 | 123.2° | 119.0° |
| C5 | C1 | H5 | 116.7° | 119.6° |
| C1 | N1 | C2 | 117.2° | 122.1° |
| N1 | C1 | H5 | 116.7° | 119.6° |
| C5 | C4 | C3 | 113.9° | 118.2° |
| C5 | C4 | H6 | 123.1° | 120.9° |
| N1 | C2 | C3 | 112.9° | 120.9° |
| N1 | C2 | H7 | 123.6° | 119.6° |
| C4 | C3 | C2 | 126.3° | 119.0° |
| C4 | C3 | C6 | 115.3° | 120.5° |
| C3 | C4 | H6 | 123.0° | 120.9° |
| C2 | C3 | C6 | 118.4° | 120.5° |
| C3 | C2 | H7 | 123.6° | 119.5° |
| C3 | C6 | O1 | 123.0° | 125.2° |
| C3 | C6 | C7 | 129.3° | 125.2° |
| O1 | C6 | C7 | 107.7° | 109.6° |
| C6 | O1 | C9 | 111.5° | 110.9° |
| C6 | C7 | C8 | 106.0° | 106.0° |
| C6 | C7 | H10 | 127.0° | 127.0° |
| O1 | C9 | C8 | 107.3° | 107.6° |
| O1 | C9 | C12 | 125.3° | 133.8° |
| C7 | C8 | C9 | 107.4° | 105.9° |
| C7 | C8 | C10 | 130.2° | 134.8° |
| C8 | C7 | H10 | 127.0° | 127.0° |
| C8 | C9 | C12 | 127.4° | 118.6° |
| C9 | C8 | C10 | 122.3° | 119.4° |
| C9 | C12 | C11 | 105.7° | 119.8° |
| C9 | C12 | H8 | 127.2° | 120.1° |
| C8 | C10 | O2 | 124.8° | 120.2° |
| C8 | C10 | N2 | 111.6° | 119.5° |
| C12 | C11 | N2 | 128.2° | 121.7° |
| C12 | C11 | H1 | 115.9° | 119.2° |
| C11 | C12 | H8 | 127.2° | 120.1° |
| O2 | C10 | N2 | 123.5° | 120.3° |
| C10 | N2 | C11 | 124.8° | 121.1° |
| C10 | N2 | H9 | 117.6° | 119.4° |
| N2 | C11 | H1 | 115.9° | 119.2° |
| C11 | N2 | H9 | 117.6° | 119.5° |
| H2 | C14 | H3 | 109.4° | 109.5° |
| H2 | C14 | H4 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C13 | O4 | C14 | 14.3° | 0.1° |
| O3 | C13 | O4 | C5 | 177.8° | 179.9° |
| O3 | C13 | C5 | C1 | 5.8° | 179.7° |
| O3 | C13 | C5 | C4 | 171.1° | 0.1° |
| C14 | O4 | C13 | C5 | 167.9° | 180.0° |
| O4 | C14 | H2 | H3 | 120.0° | 120.0° |
| O4 | C14 | H2 | H4 | 120.0° | 120.0° |
| O4 | C14 | H3 | H4 | 120.0° | 119.9° |
| O4 | C13 | C5 | C1 | 176.4° | 0.2° |
| O4 | C13 | C5 | C4 | 6.7° | 180.0° |
| C13 | O4 | C14 | H2 | 180.0° | 59.9° |
| C13 | O4 | C14 | H3 | 60.0° | 60.1° |
| C13 | O4 | C14 | H4 | 60.0° | 179.9° |
| C13 | C5 | C1 | C4 | 176.8° | 179.8° |
| C13 | C5 | C1 | N1 | 178.2° | 180.0° |
| C13 | C5 | C4 | C3 | 178.2° | 180.0° |
| C13 | C5 | C1 | H5 | 1.8° | 0.1° |
| C13 | C5 | C4 | H6 | 1.8° | 0.1° |
| C5 | C1 | N1 | H5 | 180.0° | 179.9° |
| C5 | C1 | N1 | C2 | 0.3° | 0.1° |
| C1 | C5 | C4 | C3 | 1.5° | 0.2° |
| C1 | C5 | C4 | H6 | 178.5° | 179.7° |
| N1 | C1 | C5 | C4 | 1.4° | 0.2° |
| C1 | N1 | C2 | C3 | 0.4° | 0.4° |
| C1 | N1 | C2 | H7 | 179.6° | 180.0° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.8° | 0.1° |
| C5 | C4 | C3 | C6 | 178.2° | 180.0° |
| C4 | C5 | C1 | H5 | 178.7° | 179.8° |
| N1 | C2 | C3 | C4 | 0.1° | 0.4° |
| N1 | C2 | C3 | H7 | 180.0° | 179.6° |
| N1 | C2 | C3 | C6 | 179.2° | 179.7° |
| C2 | N1 | C1 | H5 | 179.8° | 179.9° |
| C4 | C3 | C2 | C6 | 179.1° | 180.0° |
| C4 | C3 | C6 | O1 | 9.8° | 0.1° |
| C4 | C3 | C6 | C7 | 170.3° | 179.9° |
| C4 | C3 | C2 | H7 | 179.9° | 180.0° |
| C2 | C3 | C6 | O1 | 169.4° | 180.0° |
| C2 | C3 | C6 | C7 | 10.5° | 0.0° |
| C2 | C3 | C4 | H6 | 179.2° | 180.0° |
| C3 | C6 | O1 | C7 | 179.9° | 180.0° |
| C3 | C6 | O1 | C9 | 179.4° | 180.0° |
| C3 | C6 | C7 | C8 | 178.5° | 180.0° |
| C6 | C3 | C4 | H6 | 1.7° | 0.1° |
| C6 | C3 | C2 | H7 | 0.9° | 0.0° |
| C3 | C6 | C7 | H10 | 1.5° | 0.0° |
| O1 | C6 | C7 | C8 | 1.6° | 0.0° |
| C6 | O1 | C9 | C8 | 0.5° | 0.0° |
| C6 | O1 | C9 | C12 | 179.9° | 180.0° |
| O1 | C6 | C7 | H10 | 178.4° | 180.0° |
| C7 | C6 | O1 | C9 | 0.7° | 0.0° |
| C6 | C7 | C8 | H10 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.8° | 0.0° |
| C6 | C7 | C8 | C10 | 179.8° | 179.9° |
| O1 | C9 | C8 | C7 | 1.5° | 0.0° |
| O1 | C9 | C8 | C12 | 179.6° | 180.0° |
| O1 | C9 | C8 | C10 | 180.0° | 179.9° |
| O1 | C9 | C12 | C11 | 178.5° | 179.7° |
| O1 | C9 | C12 | H8 | 1.5° | 0.1° |
| C7 | C8 | C9 | C10 | 178.5° | 179.9° |
| C7 | C8 | C9 | C12 | 178.9° | 180.0° |
| C7 | C8 | C10 | O2 | 1.4° | 0.1° |
| C7 | C8 | C10 | N2 | 177.8° | 179.8° |
| C8 | C9 | C12 | C11 | 1.9° | 0.3° |
| C9 | C8 | C10 | O2 | 179.6° | 180.0° |
| C9 | C8 | C10 | N2 | 0.3° | 0.3° |
| C8 | C9 | C12 | H8 | 178.1° | 180.0° |
| C9 | C8 | C7 | H10 | 178.1° | 180.0° |
| C12 | C9 | C8 | C10 | 0.4° | 0.0° |
| C9 | C12 | C11 | H8 | 180.0° | 179.7° |
| C9 | C12 | C11 | N2 | 3.2° | 0.3° |
| C9 | C12 | C11 | H1 | 176.8° | 179.7° |
| C8 | C10 | O2 | N2 | 179.2° | 179.7° |
| C8 | C10 | N2 | C11 | 0.9° | 0.3° |
| C10 | C8 | C7 | H10 | 0.3° | 0.1° |
| C8 | C10 | N2 | H9 | 179.2° | 179.7° |
| C12 | C11 | N2 | C10 | 3.0° | 0.0° |
| C12 | C11 | N2 | H1 | 180.0° | 179.9° |
| C12 | C11 | N2 | H9 | 177.0° | 180.0° |
| O2 | C10 | N2 | C11 | 178.4° | 180.0° |
| O2 | C10 | N2 | H9 | 1.6° | 0.0° |
| C10 | N2 | C11 | H9 | 180.0° | 180.0° |
| C10 | N2 | C11 | H1 | 177.0° | 180.0° |
| N2 | C11 | C12 | H8 | 176.8° | 180.0° |
| H1 | C11 | C12 | H8 | 3.2° | 0.0° |
| H1 | C11 | N2 | H9 | 3.0° | 0.0° |
| H2 | C14 | H3 | H4 | 120.0° | 120.0° |
