F36
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C13 | doub | 1.22Å | 1.24Å | |
| C13 | N1 | sing | 1.35Å | 1.35Å | |
| C13 | C8 | sing | 1.47Å | 1.49Å | |
| N1 | C6 | sing | 1.37Å | 1.36Å | |
| C6 | C3 | sing | 1.48Å | 1.48Å | |
| C6 | N | doub | 1.31Å | 1.35Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| O | CAA | doub | 1.21Å | 1.22Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| N | C7 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | sing | 1.41Å | 1.47Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | CAA | sing | 1.47Å | 1.50Å | |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | C | sing | 1.51Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | HA | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C13 | N1 | 121.3° | 121.3° |
| O1 | C13 | C8 | 120.4° | 121.3° |
| N1 | C13 | C8 | 118.3° | 117.4° |
| C13 | N1 | C6 | 121.1° | 120.4° |
| C13 | N1 | H1 | 119.4° | 119.8° |
| C13 | C8 | C7 | 117.0° | 118.2° |
| C13 | C8 | C9 | 124.4° | 121.8° |
| N1 | C6 | C3 | 124.8° | 118.4° |
| N1 | C6 | N | 123.0° | 123.1° |
| C6 | N1 | H1 | 119.5° | 119.8° |
| C3 | C6 | N | 112.1° | 118.5° |
| C6 | C3 | C4 | 118.1° | 119.9° |
| C6 | C3 | C2 | 122.0° | 120.0° |
| C6 | N | C7 | 122.0° | 121.7° |
| C4 | C3 | C2 | 119.7° | 120.1° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C3 | C2 | C1 | 119.8° | 120.0° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C4 | C5 | C20 | 120.4° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C5 | C20 | C1 | 119.8° | 120.0° |
| C5 | C20 | CAA | 118.7° | 120.0° |
| C20 | C5 | H5 | 119.8° | 120.0° |
| O | CAA | C20 | 117.4° | 120.0° |
| O | CAA | C | 119.9° | 120.0° |
| C2 | C1 | C20 | 120.5° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C2 | C1 | HA | 119.8° | 120.0° |
| C1 | C20 | CAA | 121.5° | 120.0° |
| C20 | C1 | HA | 119.8° | 120.1° |
| N | C7 | C8 | 118.5° | 119.2° |
| N | C7 | C12 | 120.9° | 121.5° |
| C8 | C7 | C12 | 120.6° | 119.3° |
| C7 | C8 | C9 | 118.6° | 120.0° |
| C7 | C12 | C11 | 118.7° | 119.7° |
| C7 | C12 | H12 | 120.7° | 120.2° |
| C8 | C9 | C10 | 119.4° | 119.6° |
| C8 | C9 | H9 | 120.3° | 120.2° |
| C20 | CAA | C | 122.7° | 120.0° |
| C12 | C11 | C10 | 121.2° | 120.8° |
| C11 | C12 | H12 | 120.6° | 120.1° |
| C12 | C11 | H11 | 119.4° | 119.6° |
| C11 | C10 | C9 | 121.4° | 120.6° |
| C10 | C11 | H11 | 119.4° | 119.6° |
| C11 | C10 | H10 | 119.3° | 119.7° |
| C10 | C9 | H9 | 120.3° | 120.2° |
| C9 | C10 | H10 | 119.3° | 119.8° |
| CAA | C | HC1 | 109.5° | 109.5° |
| CAA | C | HC2 | 109.4° | 109.5° |
| CAA | C | HC3 | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.4° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.4° |
| HC2 | C | HC3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C13 | N1 | C8 | 179.5° | 179.7° |
| O1 | C13 | N1 | C6 | 178.3° | 180.0° |
| O1 | C13 | C8 | C7 | 179.2° | 179.8° |
| O1 | C13 | C8 | C9 | 0.8° | 0.0° |
| O1 | C13 | N1 | H1 | 1.7° | 0.1° |
| C13 | N1 | C6 | H1 | 180.0° | 179.9° |
| C13 | N1 | C6 | C3 | 177.5° | 180.0° |
| C13 | N1 | C6 | N | 2.5° | 0.0° |
| N1 | C13 | C8 | C7 | 0.3° | 0.5° |
| N1 | C13 | C8 | C9 | 179.6° | 179.7° |
| C8 | C13 | N1 | C6 | 1.2° | 0.3° |
| C13 | C8 | C7 | N | 0.6° | 0.5° |
| C13 | C8 | C7 | C9 | 180.0° | 179.8° |
| C13 | C8 | C7 | C12 | 179.5° | 179.8° |
| C13 | C8 | C9 | C10 | 179.7° | 179.2° |
| C8 | C13 | N1 | H1 | 178.8° | 179.8° |
| C13 | C8 | C9 | H9 | 0.3° | 0.0° |
| N1 | C6 | C3 | N | 175.6° | 180.0° |
| N1 | C6 | C3 | C4 | 163.2° | 180.0° |
| N1 | C6 | C3 | C2 | 21.2° | 0.3° |
| N1 | C6 | N | C7 | 2.8° | 0.0° |
| C6 | C3 | C4 | C2 | 175.7° | 179.7° |
| C6 | C3 | C4 | C5 | 177.7° | 180.0° |
| C6 | C3 | C2 | C1 | 177.8° | 180.0° |
| C3 | C6 | N | C7 | 178.4° | 180.0° |
| C3 | C6 | N1 | H1 | 2.5° | 0.0° |
| C6 | C3 | C4 | H4 | 2.3° | 0.1° |
| C6 | C3 | C2 | H2 | 2.3° | 0.0° |
| N | C6 | C3 | C4 | 21.2° | 0.0° |
| N | C6 | C3 | C2 | 154.4° | 179.7° |
| C6 | N | C7 | C8 | 1.8° | 0.2° |
| C6 | N | C7 | C12 | 179.4° | 180.0° |
| N | C6 | N1 | H1 | 177.6° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C20 | 0.9° | 0.1° |
| C4 | C3 | C2 | C1 | 2.3° | 0.3° |
| C4 | C3 | C2 | H2 | 177.8° | 179.7° |
| C3 | C4 | C5 | H5 | 179.1° | 179.7° |
| C2 | C3 | C4 | C5 | 2.0° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C20 | 1.4° | 0.0° |
| C2 | C3 | C4 | H4 | 178.0° | 179.8° |
| C3 | C2 | C1 | HA | 178.6° | 179.9° |
| C4 | C5 | C20 | H5 | 180.0° | 179.8° |
| C4 | C5 | C20 | C1 | 0.1° | 0.2° |
| C4 | C5 | C20 | CAA | 179.3° | 180.0° |
| C5 | C20 | CAA | O | 37.7° | 179.8° |
| C5 | C20 | C1 | C2 | 0.3° | 0.2° |
| C5 | C20 | C1 | CAA | 179.3° | 179.8° |
| C5 | C20 | CAA | C | 143.1° | 0.2° |
| C20 | C5 | C4 | H4 | 179.1° | 180.0° |
| C5 | C20 | C1 | HA | 179.7° | 179.8° |
| O | CAA | C20 | C1 | 141.6° | 0.0° |
| O | CAA | C20 | C | 179.2° | 180.0° |
| O | CAA | C | HC1 | 0.0° | 90.0° |
| O | CAA | C | HC2 | 120.0° | 150.0° |
| O | CAA | C | HC3 | 120.0° | 30.0° |
| C2 | C1 | C20 | HA | 180.0° | 179.9° |
| C2 | C1 | C20 | CAA | 179.1° | 180.0° |
| C1 | C20 | CAA | C | 37.6° | 180.0° |
| C20 | C1 | C2 | H2 | 178.6° | 179.9° |
| C1 | C20 | C5 | H5 | 179.9° | 180.0° |
| N | C7 | C8 | C12 | 178.8° | 179.7° |
| N | C7 | C8 | C9 | 179.4° | 179.7° |
| N | C7 | C12 | C11 | 179.4° | 180.0° |
| N | C7 | C12 | H12 | 0.6° | 0.0° |
| C8 | C7 | C12 | C11 | 0.6° | 0.3° |
| C7 | C8 | C9 | C10 | 0.4° | 0.6° |
| C8 | C7 | C12 | H12 | 179.4° | 179.8° |
| C7 | C8 | C9 | H9 | 179.6° | 179.8° |
| C12 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C12 | C11 | H12 | 180.0° | 180.0° |
| C7 | C12 | C11 | C10 | 0.3° | 0.0° |
| C7 | C12 | C11 | H11 | 179.8° | 180.0° |
| C8 | C9 | C10 | C11 | 1.2° | 1.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.1° |
| C8 | C9 | C10 | H10 | 178.8° | 179.7° |
| CAA | C20 | C5 | H5 | 0.7° | 0.2° |
| CAA | C20 | C1 | HA | 0.9° | 0.0° |
| C20 | CAA | C | HC1 | 179.2° | 90.0° |
| C20 | CAA | C | HC2 | 59.2° | 30.1° |
| C20 | CAA | C | HC3 | 60.8° | 150.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 1.2° | 0.7° |
| C12 | C11 | C10 | H10 | 178.9° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.3° |
| C10 | C11 | C12 | H12 | 179.7° | 179.9° |
| C11 | C10 | C9 | H9 | 178.8° | 179.9° |
| C9 | C10 | C11 | H11 | 178.8° | 179.4° |
| CAA | C | HC1 | HC2 | 120.0° | 120.1° |
| CAA | C | HC1 | HC3 | 120.0° | 120.0° |
| CAA | C | HC2 | HC3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.9° | 0.2° |
| H2 | C2 | C1 | HA | 1.4° | 0.1° |
| H12 | C12 | C11 | H11 | 0.2° | 0.0° |
| H9 | C9 | C10 | H10 | 1.2° | 0.6° |
| H11 | C11 | C10 | H10 | 1.1° | 0.1° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
