V5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| CB | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O1 | sing | 1.43Å | 1.44Å | |
| C6 | C | sing | 1.51Å | 1.53Å | |
| C1 | CA | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.37Å | |
| C5 | CA | sing | 1.39Å | 1.39Å | Aromatic |
| O | C | doub | 1.21Å | 1.23Å | |
| CA | N | sing | 1.40Å | 1.34Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 118.3° | 120.2° |
| C3 | C2 | C1 | 121.0° | 120.0° |
| C3 | C2 | H5 | 119.5° | 120.0° |
| C2 | C3 | H3 | 120.9° | 119.9° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C3 | C4 | H1 | 119.6° | 119.9° |
| C4 | C3 | H3 | 120.9° | 119.9° |
| C2 | C1 | CA | 120.3° | 119.9° |
| C2 | C1 | O1 | 122.8° | 120.1° |
| C1 | C2 | H5 | 119.5° | 120.0° |
| C4 | C5 | CA | 121.1° | 120.0° |
| C4 | C5 | H4 | 119.4° | 119.9° |
| C5 | C4 | H1 | 119.6° | 119.9° |
| CB | C6 | O1 | 112.3° | 109.5° |
| CB | C6 | C | 105.2° | 109.5° |
| CB | C6 | H6 | 108.9° | 109.4° |
| C6 | CB | HB1 | 109.5° | 109.5° |
| C6 | CB | HB2 | 109.5° | 109.5° |
| C6 | CB | HB3 | 109.4° | 109.5° |
| O1 | C6 | C | 111.2° | 109.5° |
| C6 | O1 | C1 | 113.7° | 117.0° |
| O1 | C6 | H6 | 110.2° | 109.5° |
| C6 | C | O | 119.1° | 120.0° |
| C | C6 | H6 | 108.9° | 109.5° |
| C6 | C | OXT | 118.6° | 120.0° |
| CA | C1 | O1 | 115.9° | 120.0° |
| C1 | CA | C5 | 117.9° | 119.8° |
| C1 | CA | N | 116.1° | 120.1° |
| C5 | CA | N | 125.4° | 120.1° |
| CA | C5 | H4 | 119.4° | 120.1° |
| O | C | OXT | 122.3° | 120.0° |
| CA | N | H | 109.5° | 120.1° |
| CA | N | H2 | 109.5° | 120.0° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| HB1 | CB | HB3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H3 | 180.0° | 179.5° |
| C3 | C2 | C1 | H5 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.3° | 0.5° |
| C3 | C2 | C1 | CA | 7.8° | 0.3° |
| C3 | C2 | C1 | O1 | 176.1° | 179.7° |
| C2 | C3 | C4 | H1 | 179.7° | 179.7° |
| C4 | C3 | C2 | C1 | 3.1° | 0.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | CA | 2.0° | 0.2° |
| C4 | C3 | C2 | H5 | 176.8° | 179.8° |
| C3 | C4 | C5 | H4 | 178.0° | 179.8° |
| C2 | C1 | O1 | C6 | 10.9° | 5.4° |
| C2 | C1 | CA | O1 | 169.2° | 180.0° |
| C2 | C1 | CA | C5 | 9.2° | 0.0° |
| C2 | C1 | CA | N | 178.9° | 179.9° |
| C1 | C2 | C3 | H3 | 176.9° | 180.0° |
| C4 | C5 | CA | C1 | 6.4° | 0.1° |
| C4 | C5 | CA | H4 | 180.0° | 180.0° |
| C4 | C5 | CA | N | 177.5° | 180.0° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| CB | C6 | O1 | C | 117.6° | 120.0° |
| CB | C6 | O1 | H6 | 121.5° | 120.0° |
| CB | C6 | C | H6 | 116.6° | 120.0° |
| CB | C6 | O1 | C1 | 77.1° | 84.8° |
| CB | C6 | C | O | 60.1° | 114.7° |
| C6 | CB | HB1 | HB2 | 120.0° | 120.0° |
| C6 | CB | HB1 | HB3 | 120.0° | 120.0° |
| C6 | CB | HB2 | HB3 | 120.0° | 120.1° |
| CB | C6 | C | OXT | 120.6° | 65.0° |
| O1 | C6 | C | H6 | 121.6° | 120.0° |
| C6 | O1 | C1 | CA | 179.7° | 174.6° |
| O1 | C6 | C | O | 178.1° | 5.3° |
| O1 | C6 | CB | HB1 | 180.0° | 180.0° |
| O1 | C6 | CB | HB2 | 60.0° | 60.0° |
| O1 | C6 | CB | HB3 | 60.0° | 60.0° |
| O1 | C6 | C | OXT | 1.2° | 175.0° |
| C | C6 | O1 | C1 | 165.3° | 155.2° |
| C6 | C | O | OXT | 179.3° | 179.7° |
| C | C6 | CB | HB1 | 58.9° | 60.0° |
| C | C6 | CB | HB2 | 61.1° | 60.0° |
| C | C6 | CB | HB3 | 178.9° | 180.0° |
| C6 | C | OXT | HXT | 179.3° | 180.0° |
| C1 | CA | C5 | N | 171.1° | 179.9° |
| CA | C1 | C2 | H5 | 172.2° | 180.0° |
| C1 | CA | C5 | H4 | 173.6° | 180.0° |
| C1 | CA | N | H | 180.0° | 0.0° |
| C1 | CA | N | H2 | 60.0° | 180.0° |
| O1 | C1 | CA | C5 | 178.3° | 179.9° |
| O1 | C1 | CA | N | 9.7° | 0.0° |
| C1 | O1 | C6 | H6 | 44.5° | 35.1° |
| O1 | C1 | C2 | H5 | 3.8° | 0.1° |
| CA | C5 | C4 | H1 | 178.0° | 180.0° |
| C5 | CA | N | H | 8.7° | 179.9° |
| C5 | CA | N | H2 | 111.3° | 0.1° |
| O | C | C6 | H6 | 56.5° | 125.3° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| N | CA | C5 | H4 | 2.5° | 0.1° |
| CA | N | H | H2 | 120.0° | 180.0° |
| H6 | C6 | CB | HB1 | 57.7° | 60.0° |
| H6 | C6 | CB | HB2 | 177.7° | 180.0° |
| H6 | C6 | CB | HB3 | 62.3° | 60.0° |
| H6 | C6 | C | OXT | 122.8° | 55.0° |
| H5 | C2 | C3 | H3 | 3.2° | 0.3° |
| H4 | C5 | C4 | H1 | 2.0° | 0.0° |
| H1 | C4 | C3 | H3 | 0.3° | 0.2° |
| HB1 | CB | HB2 | HB3 | 120.0° | 120.0° |
