F16
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.35Å | 1.44Å | |
| C1 | S6 | sing | 1.78Å | 1.79Å | |
| C1 | C10 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.44Å | 1.45Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | N5 | sing | 1.35Å | 1.42Å | |
| C4 | O9 | doub | 1.22Å | 1.22Å | |
| N5 | S6 | sing | 1.67Å | 1.75Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| S6 | O7 | doub | 1.42Å | 1.74Å | |
| S6 | O8 | doub | 1.42Å | 1.68Å | |
| C10 | C11 | doub | 1.40Å | 1.47Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.48Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.47Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.38Å | 1.47Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.39Å | 1.47Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.47Å | Aromatic |
| C14 | O1 | sing | 1.36Å | 1.34Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | S6 | 113.9° | 102.6° |
| C3 | C1 | C10 | 123.5° | 128.7° |
| C1 | C3 | C4 | 107.1° | 115.2° |
| C1 | C3 | H3 | 126.5° | 122.4° |
| S6 | C1 | C10 | 122.6° | 128.7° |
| C1 | S6 | N5 | 91.6° | 100.0° |
| C1 | S6 | O7 | 112.1° | 107.1° |
| C1 | S6 | O8 | 106.6° | 106.4° |
| C1 | C10 | C11 | 120.0° | 120.1° |
| C1 | C10 | C15 | 120.0° | 120.2° |
| C4 | C3 | H3 | 126.5° | 122.4° |
| C3 | C4 | N5 | 117.6° | 117.7° |
| C3 | C4 | O9 | 121.3° | 121.2° |
| N5 | C4 | O9 | 121.1° | 121.2° |
| C4 | N5 | S6 | 109.9° | 104.5° |
| C4 | N5 | H5 | 125.0° | 127.7° |
| S6 | N5 | H5 | 125.0° | 127.7° |
| N5 | S6 | O7 | 114.7° | 106.8° |
| N5 | S6 | O8 | 114.8° | 106.8° |
| O7 | S6 | O8 | 114.4° | 126.6° |
| C11 | C10 | C15 | 120.0° | 119.7° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.0° |
| C10 | C15 | C14 | 119.9° | 119.8° |
| C10 | C15 | H15 | 120.1° | 120.1° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.2° |
| C11 | C12 | H12 | 119.9° | 119.9° |
| C13 | C12 | H12 | 119.9° | 119.8° |
| C12 | C13 | C14 | 119.8° | 120.3° |
| C12 | C13 | H13 | 120.1° | 119.9° |
| C14 | C13 | H13 | 120.1° | 119.8° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | O1 | 120.0° | 120.0° |
| C15 | C14 | O1 | 119.8° | 120.0° |
| C14 | C15 | H15 | 120.1° | 120.1° |
| C14 | O1 | H1 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | S6 | C10 | 179.2° | 179.8° |
| C1 | C3 | C4 | H3 | 180.0° | 180.0° |
| C1 | C3 | C4 | N5 | 0.1° | 0.0° |
| C1 | C3 | C4 | O9 | 179.8° | 179.9° |
| C3 | C1 | S6 | N5 | 0.1° | 0.4° |
| C3 | C1 | S6 | O7 | 117.5° | 110.8° |
| C3 | C1 | S6 | O8 | 116.5° | 111.3° |
| C3 | C1 | C10 | C11 | 109.8° | 180.0° |
| C3 | C1 | C10 | C15 | 70.5° | 0.3° |
| S6 | C1 | C3 | C4 | 0.1° | 0.2° |
| S6 | C1 | C3 | H3 | 179.9° | 179.7° |
| C1 | S6 | N5 | C4 | 0.0° | 0.4° |
| C1 | S6 | N5 | O7 | 115.2° | 111.4° |
| C1 | S6 | N5 | O8 | 109.1° | 110.7° |
| C1 | S6 | N5 | H5 | 180.0° | 180.0° |
| C1 | S6 | O7 | O8 | 121.5° | 126.7° |
| S6 | C1 | C10 | C11 | 71.1° | 0.3° |
| S6 | C1 | C10 | C15 | 108.6° | 180.0° |
| C10 | C1 | C3 | C4 | 179.1° | 180.0° |
| C10 | C1 | C3 | H3 | 0.9° | 0.0° |
| C10 | C1 | S6 | N5 | 179.1° | 179.9° |
| C10 | C1 | S6 | O7 | 63.3° | 68.9° |
| C10 | C1 | S6 | O8 | 62.7° | 68.9° |
| C1 | C10 | C11 | C15 | 179.7° | 179.7° |
| C1 | C10 | C11 | C12 | 179.6° | 180.0° |
| C1 | C10 | C11 | H11 | 0.3° | 0.1° |
| C1 | C10 | C15 | C14 | 179.6° | 179.7° |
| C1 | C10 | C15 | H15 | 0.4° | 0.2° |
| C3 | C4 | N5 | O9 | 179.9° | 179.9° |
| C3 | C4 | N5 | S6 | 0.0° | 0.3° |
| C3 | C4 | N5 | H5 | 180.0° | 180.0° |
| H3 | C3 | C4 | N5 | 179.9° | 180.0° |
| H3 | C3 | C4 | O9 | 0.2° | 0.0° |
| C4 | N5 | S6 | H5 | 180.0° | 179.7° |
| C4 | N5 | S6 | O7 | 115.2° | 111.1° |
| C4 | N5 | S6 | O8 | 109.1° | 111.1° |
| O9 | C4 | N5 | S6 | 179.8° | 179.7° |
| O9 | C4 | N5 | H5 | 0.2° | 0.0° |
| N5 | S6 | O7 | O8 | 135.8° | 126.9° |
| H5 | N5 | S6 | O7 | 64.8° | 68.6° |
| H5 | N5 | S6 | O8 | 70.8° | 69.3° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C11 | C10 | C15 | C14 | 0.1° | 0.6° |
| C11 | C10 | C15 | H15 | 179.9° | 180.0° |
| C15 | C10 | C11 | C12 | 0.1° | 0.3° |
| C15 | C10 | C11 | H11 | 180.0° | 179.8° |
| C10 | C15 | C14 | C13 | 0.1° | 0.5° |
| C10 | C15 | C14 | H15 | 180.0° | 179.5° |
| C10 | C15 | C14 | O1 | 180.0° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| H11 | C11 | C12 | C13 | 180.0° | 179.9° |
| H11 | C11 | C12 | H12 | 0.0° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.2° |
| C12 | C13 | C14 | O1 | 179.9° | 179.9° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.0° |
| C13 | C14 | C15 | O1 | 179.9° | 179.7° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C13 | C14 | O1 | H1 | 50.4° | 90.0° |
| H13 | C13 | C14 | C15 | 180.0° | 179.7° |
| H13 | C13 | C14 | O1 | 0.1° | 0.0° |
| C15 | C14 | O1 | H1 | 129.5° | 90.2° |
| O1 | C14 | C15 | H15 | 0.0° | 0.3° |
