V3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | N1 | sing | 1.35Å | 1.38Å | |
| C3 | N | sing | 1.34Å | 1.41Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.52Å | 1.52Å | |
| C1 | C4 | sing | 1.51Å | 1.48Å | |
| N | C2 | sing | 1.35Å | 1.39Å | |
| C2 | O | doub | 1.21Å | 1.20Å | |
| C4 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | N1 | 127.5° | 123.7° |
| O1 | C3 | N | 125.2° | 123.8° |
| N1 | C3 | N | 107.2° | 112.4° |
| C3 | N1 | C1 | 111.7° | 106.6° |
| C3 | N1 | H1 | 124.2° | 126.7° |
| C3 | N | C2 | 111.6° | 111.7° |
| C3 | N | H7 | 124.2° | 124.2° |
| N1 | C1 | C | 107.5° | 110.6° |
| N1 | C1 | C2 | 102.5° | 103.6° |
| N1 | C1 | C4 | 116.0° | 110.6° |
| C1 | N1 | H1 | 124.2° | 126.6° |
| C | C1 | C2 | 110.6° | 110.6° |
| C | C1 | C4 | 110.0° | 110.6° |
| C1 | C | H8 | 109.5° | 109.4° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.4° |
| C2 | C1 | C4 | 109.9° | 110.6° |
| C1 | C2 | N | 106.8° | 105.7° |
| C1 | C2 | O | 128.3° | 127.2° |
| C1 | C4 | C9 | 117.1° | 120.0° |
| C1 | C4 | C5 | 122.4° | 119.9° |
| N | C2 | O | 124.8° | 127.2° |
| C2 | N | H7 | 124.2° | 124.1° |
| C9 | C4 | C5 | 120.4° | 120.0° |
| C4 | C9 | C8 | 119.1° | 120.0° |
| C4 | C9 | H4 | 120.4° | 119.9° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C9 | C8 | C7 | 120.3° | 120.0° |
| C9 | C8 | H3 | 119.8° | 120.0° |
| C8 | C9 | H4 | 120.4° | 120.1° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C8 | C7 | C6 | 119.9° | 120.0° |
| C8 | C7 | H2 | 120.1° | 120.1° |
| C7 | C8 | H3 | 119.8° | 120.0° |
| C6 | C7 | H2 | 120.0° | 120.0° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| H8 | C | H9 | 109.5° | 109.5° |
| H8 | C | H10 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | N1 | N | 179.1° | 180.0° |
| O1 | C3 | N1 | C1 | 176.2° | 180.0° |
| O1 | C3 | N | C2 | 178.6° | 179.7° |
| O1 | C3 | N1 | H1 | 3.8° | 0.2° |
| O1 | C3 | N | H7 | 1.4° | 0.1° |
| C3 | N1 | C1 | H1 | 180.0° | 179.8° |
| C3 | N1 | C1 | C | 112.7° | 118.7° |
| C3 | N1 | C1 | C2 | 4.0° | 0.2° |
| C3 | N1 | C1 | C4 | 123.7° | 118.3° |
| N1 | C3 | N | C2 | 0.6° | 0.3° |
| N1 | C3 | N | H7 | 179.5° | 179.9° |
| N | C3 | N1 | C1 | 3.0° | 0.0° |
| C3 | N | C2 | C1 | 1.9° | 0.4° |
| C3 | N | C2 | H7 | 180.0° | 179.8° |
| C3 | N | C2 | O | 177.1° | 180.0° |
| N | C3 | N1 | H1 | 177.0° | 179.8° |
| N1 | C1 | C | C2 | 111.2° | 114.2° |
| N1 | C1 | C | C4 | 127.2° | 123.0° |
| N1 | C1 | C2 | C4 | 123.9° | 118.6° |
| N1 | C1 | C2 | N | 3.5° | 0.4° |
| N1 | C1 | C2 | O | 175.5° | 180.0° |
| N1 | C1 | C4 | C9 | 120.3° | 180.0° |
| N1 | C1 | C4 | C5 | 57.6° | 0.3° |
| N1 | C1 | C | H8 | 180.0° | 60.7° |
| N1 | C1 | C | H9 | 60.0° | 179.3° |
| N1 | C1 | C | H10 | 60.0° | 59.3° |
| C | C1 | C2 | C4 | 121.7° | 122.9° |
| C | C1 | C2 | N | 111.0° | 118.9° |
| C | C1 | C2 | O | 70.1° | 61.5° |
| C | C1 | C4 | C9 | 2.0° | 57.0° |
| C | C1 | C4 | C5 | 180.0° | 123.2° |
| C | C1 | N1 | H1 | 67.3° | 61.5° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 119.9° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | N | O | 179.0° | 179.6° |
| C2 | C1 | C4 | C9 | 124.0° | 65.8° |
| C2 | C1 | C4 | C5 | 58.0° | 113.9° |
| C2 | C1 | N1 | H1 | 176.0° | 180.0° |
| C1 | C2 | N | H7 | 178.1° | 179.8° |
| C2 | C1 | C | H8 | 68.8° | 174.8° |
| C2 | C1 | C | H9 | 51.2° | 65.1° |
| C2 | C1 | C | H10 | 171.2° | 54.9° |
| C4 | C1 | C2 | N | 127.4° | 118.2° |
| C4 | C1 | C2 | O | 51.6° | 61.4° |
| C1 | C4 | C9 | C5 | 178.0° | 179.7° |
| C1 | C4 | C9 | C8 | 177.2° | 180.0° |
| C1 | C4 | C5 | C6 | 177.2° | 180.0° |
| C4 | C1 | N1 | H1 | 56.3° | 61.5° |
| C1 | C4 | C9 | H4 | 2.8° | 0.0° |
| C1 | C4 | C5 | H5 | 2.8° | 0.0° |
| C4 | C1 | C | H8 | 52.7° | 62.3° |
| C4 | C1 | C | H9 | 172.8° | 57.7° |
| C4 | C1 | C | H10 | 67.2° | 177.8° |
| O | C2 | N | H7 | 2.9° | 0.2° |
| C4 | C9 | C8 | H4 | 180.0° | 180.0° |
| C9 | C4 | C5 | C6 | 0.7° | 0.3° |
| C4 | C9 | C8 | C7 | 0.3° | 0.0° |
| C4 | C9 | C8 | H3 | 179.7° | 179.9° |
| C9 | C4 | C5 | H5 | 179.3° | 179.7° |
| C5 | C4 | C9 | C8 | 0.7° | 0.3° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C9 | H4 | 179.3° | 179.7° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C9 | C8 | C7 | H3 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.3° | 0.2° |
| C9 | C8 | C7 | H2 | 179.8° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.2° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H2 | 179.7° | 179.9° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C7 | C8 | C9 | H4 | 179.7° | 180.0° |
| C8 | C7 | C6 | H6 | 179.6° | 179.7° |
| C6 | C7 | C8 | H3 | 179.8° | 179.9° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| H2 | C7 | C8 | H3 | 0.2° | 0.0° |
| H2 | C7 | C6 | H6 | 0.3° | 0.2° |
| H3 | C8 | C9 | H4 | 0.3° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| H8 | C | H9 | H10 | 120.0° | 120.1° |
