5V4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C05 | sing | 1.51Å | 1.59Å | |
| C03 | C01 | sing | 1.54Å | 1.49Å | |
| O01 | C01 | sing | 1.43Å | 1.40Å | |
| C07 | C05 | doub | 1.38Å | 1.48Å | Aromatic |
| C07 | C | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.54Å | 1.45Å | |
| C | C08 | doub | 1.38Å | 1.52Å | Aromatic |
| C02 | C04 | sing | 1.51Å | 1.47Å | |
| C02 | O | sing | 1.43Å | 1.41Å | |
| C04 | C06 | doub | 1.38Å | 1.48Å | Aromatic |
| C08 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C03 | C01 | 100.1° | 105.2° |
| C03 | C05 | C07 | 131.9° | 130.4° |
| C03 | C05 | C04 | 108.7° | 109.8° |
| C05 | C03 | H5 | 111.7° | 110.3° |
| C05 | C03 | H6 | 111.8° | 110.3° |
| C03 | C01 | O01 | 110.9° | 110.8° |
| C03 | C01 | C02 | 107.0° | 102.4° |
| C03 | C01 | H3 | 108.9° | 111.0° |
| C01 | C03 | H5 | 111.7° | 110.3° |
| C01 | C03 | H6 | 111.8° | 110.3° |
| O01 | C01 | C02 | 110.0° | 110.8° |
| C01 | O01 | H1 | 109.5° | 114.0° |
| O01 | C01 | H3 | 110.3° | 110.8° |
| C05 | C07 | C | 120.4° | 120.2° |
| C07 | C05 | C04 | 119.5° | 119.9° |
| C05 | C07 | H8 | 119.8° | 119.9° |
| C07 | C | C08 | 118.4° | 119.9° |
| C | C07 | H8 | 119.8° | 119.9° |
| C07 | C | H10 | 120.8° | 120.1° |
| C05 | C04 | C02 | 107.5° | 109.7° |
| C05 | C04 | C06 | 121.0° | 119.9° |
| C01 | C02 | C04 | 107.1° | 105.2° |
| C01 | C02 | O | 109.8° | 110.3° |
| C02 | C01 | H3 | 109.6° | 110.8° |
| C01 | C02 | H4 | 110.1° | 110.3° |
| C | C08 | C06 | 120.8° | 119.9° |
| C | C08 | H9 | 119.6° | 120.0° |
| C08 | C | H10 | 120.8° | 120.0° |
| C04 | C02 | O | 109.2° | 110.3° |
| C02 | C04 | C06 | 131.5° | 130.4° |
| C04 | C02 | H4 | 109.8° | 110.3° |
| C02 | O | H2 | 109.5° | 114.0° |
| O | C02 | H4 | 110.7° | 110.4° |
| C04 | C06 | C08 | 119.9° | 120.2° |
| C04 | C06 | H7 | 120.1° | 119.9° |
| C08 | C06 | H7 | 120.1° | 119.8° |
| C06 | C08 | H9 | 119.6° | 120.1° |
| H5 | C03 | H6 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C03 | C01 | H5 | 118.4° | 118.9° |
| C05 | C03 | C01 | H6 | 118.5° | 118.9° |
| C05 | C03 | C01 | O01 | 149.3° | 144.6° |
| C03 | C05 | C07 | C04 | 179.9° | 180.0° |
| C03 | C05 | C07 | C | 179.9° | 180.0° |
| C05 | C03 | C01 | C02 | 29.4° | 26.4° |
| C03 | C05 | C04 | C02 | 0.3° | 0.0° |
| C03 | C05 | C04 | C06 | 179.9° | 180.0° |
| C05 | C03 | C01 | H3 | 89.0° | 91.9° |
| C05 | C03 | H5 | H6 | 124.4° | 122.1° |
| C03 | C05 | C07 | H8 | 0.1° | 0.0° |
| C03 | C01 | O01 | C02 | 118.1° | 112.9° |
| C03 | C01 | O01 | H3 | 120.8° | 123.6° |
| C01 | C03 | C05 | C07 | 161.7° | 162.8° |
| C01 | C03 | C05 | C04 | 18.1° | 17.2° |
| C03 | C01 | C02 | H3 | 118.0° | 118.4° |
| C03 | C01 | C02 | C04 | 31.3° | 26.4° |
| C03 | C01 | C02 | O | 149.8° | 145.3° |
| C03 | C01 | O01 | H1 | 180.0° | 67.1° |
| C03 | C01 | C02 | H4 | 88.0° | 92.5° |
| C01 | C03 | H5 | H6 | 124.4° | 122.2° |
| O01 | C01 | C02 | H3 | 121.5° | 123.4° |
| O01 | C01 | C02 | C04 | 151.9° | 144.6° |
| O01 | C01 | C02 | O | 89.6° | 96.5° |
| O01 | C01 | C02 | H4 | 32.5° | 25.6° |
| O01 | C01 | C03 | H5 | 92.2° | 25.6° |
| O01 | C01 | C03 | H6 | 30.9° | 96.6° |
| C05 | C07 | C | H8 | 180.0° | 180.0° |
| C05 | C07 | C | C08 | 0.3° | 0.1° |
| C07 | C05 | C04 | C02 | 179.5° | 180.0° |
| C07 | C05 | C04 | C06 | 0.0° | 0.0° |
| C07 | C05 | C03 | H5 | 43.3° | 78.3° |
| C07 | C05 | C03 | H6 | 79.8° | 43.9° |
| C05 | C07 | C | H10 | 179.7° | 180.0° |
| C | C07 | C05 | C04 | 0.2° | 0.0° |
| C07 | C | C08 | H10 | 180.0° | 179.9° |
| C07 | C | C08 | C06 | 0.1° | 0.1° |
| C07 | C | C08 | H9 | 179.9° | 179.9° |
| C05 | C04 | C02 | C01 | 18.8° | 17.2° |
| C05 | C04 | C02 | C06 | 179.5° | 180.0° |
| C05 | C04 | C02 | O | 137.6° | 136.1° |
| C05 | C04 | C06 | C08 | 0.1° | 0.0° |
| C05 | C04 | C02 | H4 | 100.8° | 101.7° |
| C04 | C05 | C03 | H5 | 136.6° | 101.7° |
| C04 | C05 | C03 | H6 | 100.3° | 136.1° |
| C05 | C04 | C06 | H7 | 179.9° | 180.0° |
| C04 | C05 | C07 | H8 | 179.8° | 180.0° |
| C01 | C02 | C04 | O | 118.9° | 118.9° |
| C01 | C02 | C04 | H4 | 119.5° | 118.9° |
| C01 | C02 | O | H4 | 121.8° | 122.1° |
| C01 | C02 | C04 | C06 | 160.7° | 162.9° |
| C02 | C01 | O01 | H1 | 61.8° | 179.9° |
| C01 | C02 | O | H2 | 180.0° | 180.0° |
| C02 | C01 | C03 | H5 | 147.8° | 92.6° |
| C02 | C01 | C03 | H6 | 89.1° | 145.2° |
| C | C08 | C06 | C04 | 0.1° | 0.0° |
| C | C08 | C06 | H9 | 180.0° | 180.0° |
| C | C08 | C06 | H7 | 179.9° | 180.0° |
| C08 | C | C07 | H8 | 179.8° | 180.0° |
| C04 | C02 | O | H4 | 121.0° | 122.1° |
| C02 | C04 | C06 | C08 | 179.6° | 180.0° |
| C04 | C02 | O | H2 | 62.9° | 64.2° |
| C04 | C02 | C01 | H3 | 86.7° | 92.0° |
| C02 | C04 | C06 | H7 | 0.4° | 0.0° |
| O | C02 | C04 | C06 | 41.8° | 43.9° |
| O | C02 | C01 | H3 | 31.8° | 26.9° |
| C04 | C06 | C08 | H7 | 180.0° | 180.0° |
| C06 | C04 | C02 | H4 | 79.7° | 78.2° |
| C04 | C06 | C08 | H9 | 179.9° | 180.0° |
| C06 | C08 | C | H10 | 179.9° | 180.0° |
| H1 | O01 | C01 | H3 | 59.2° | 56.5° |
| H2 | O | C02 | H4 | 58.1° | 57.9° |
| H3 | C01 | C02 | H4 | 154.0° | 149.0° |
| H3 | C01 | C03 | H5 | 29.4° | 149.2° |
| H3 | C01 | C03 | H6 | 152.5° | 27.0° |
| H7 | C06 | C08 | H9 | 0.1° | 0.0° |
| H8 | C07 | C | H10 | 0.2° | 0.1° |
| H9 | C08 | C | H10 | 0.1° | 0.0° |
