GVM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.22Å | 1.25Å | |
| C1 | O1B | sing | 1.36Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.42Å | 1.44Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.56Å | 1.53Å | |
| C5A | C5 | sing | 1.54Å | 1.52Å | |
| C5B | C5 | sing | 1.54Å | 1.52Å | |
| C5C | C5 | sing | 1.54Å | 1.53Å | |
| O1B | H1B | sing | 0.98Å | 0.95Å | |
| C2 | H2C1 | sing | 1.10Å | 1.10Å | |
| C2 | H2C2 | sing | 1.10Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HA | sing | 0.97Å | 0.95Å | |
| C4 | H4C1 | sing | 1.10Å | 1.10Å | |
| C4 | H4C2 | sing | 1.10Å | 1.10Å | |
| C5A | H5A1 | sing | 1.10Å | 1.10Å | |
| C5A | H5A2 | sing | 1.10Å | 1.10Å | |
| C5A | H5A3 | sing | 1.09Å | 1.10Å | |
| C5B | H5B1 | sing | 1.10Å | 1.10Å | |
| C5B | H5B2 | sing | 1.10Å | 1.10Å | |
| C5B | H5B3 | sing | 1.10Å | 1.10Å | |
| C5C | H5C1 | sing | 1.09Å | 1.10Å | |
| C5C | H5C2 | sing | 1.10Å | 1.10Å | |
| C5C | H5C3 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 122.7° | 123.4° |
| O1A | C1 | C2 | 118.1° | 124.0° |
| O1B | C1 | C2 | 119.2° | 112.7° |
| C1 | O1B | H1B | 109.5° | 115.1° |
| C1 | C2 | C3 | 110.8° | 113.7° |
| C1 | C2 | H2C1 | 109.0° | 108.1° |
| C1 | C2 | H2C2 | 108.7° | 107.5° |
| C2 | C3 | O3 | 108.9° | 109.0° |
| C2 | C3 | C4 | 107.4° | 112.9° |
| C3 | C2 | H2C1 | 109.0° | 110.7° |
| C3 | C2 | H2C2 | 108.7° | 110.2° |
| C2 | C3 | H3 | 111.7° | 107.0° |
| O3 | C3 | C4 | 110.9° | 111.0° |
| O3 | C3 | H3 | 108.2° | 106.7° |
| C3 | O3 | HA | 109.5° | 106.6° |
| C3 | C4 | C5 | 117.1° | 117.0° |
| C4 | C3 | H3 | 109.7° | 110.0° |
| C3 | C4 | H4C1 | 107.0° | 108.3° |
| C3 | C4 | H4C2 | 105.2° | 108.7° |
| C4 | C5 | C5A | 114.1° | 111.1° |
| C4 | C5 | C5B | 105.4° | 107.7° |
| C4 | C5 | C5C | 111.2° | 112.3° |
| C5 | C4 | H4C1 | 107.0° | 108.0° |
| C5 | C4 | H4C2 | 105.3° | 107.7° |
| C5A | C5 | C5B | 107.5° | 108.2° |
| C5A | C5 | C5C | 107.8° | 109.2° |
| C5 | C5A | H5A1 | 109.5° | 111.1° |
| C5 | C5A | H5A2 | 109.5° | 111.0° |
| C5 | C5A | H5A3 | 109.5° | 111.9° |
| C5B | C5 | C5C | 110.8° | 108.2° |
| C5 | C5B | H5B1 | 109.5° | 111.2° |
| C5 | C5B | H5B2 | 109.5° | 111.3° |
| C5 | C5B | H5B3 | 109.4° | 111.1° |
| C5 | C5C | H5C1 | 109.5° | 111.8° |
| C5 | C5C | H5C2 | 109.5° | 111.2° |
| C5 | C5C | H5C3 | 109.4° | 111.0° |
| H2C1 | C2 | H2C2 | 110.5° | 106.3° |
| H4C1 | C4 | H4C2 | 115.7° | 106.6° |
| H5A1 | C5A | H5A2 | 109.5° | 107.6° |
| H5A1 | C5A | H5A3 | 109.5° | 108.0° |
| H5A2 | C5A | H5A3 | 109.4° | 107.0° |
| H5B1 | C5B | H5B2 | 109.4° | 107.6° |
| H5B1 | C5B | H5B3 | 109.5° | 107.8° |
| H5B2 | C5B | H5B3 | 109.5° | 107.6° |
| H5C1 | C5C | H5C2 | 109.5° | 108.3° |
| H5C1 | C5C | H5C3 | 109.4° | 106.8° |
| H5C2 | C5C | H5C3 | 109.5° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 179.1° | 179.4° |
| O1A | C1 | C2 | C3 | 143.4° | 56.5° |
| O1A | C1 | O1B | H1B | 0.0° | 0.0° |
| O1A | C1 | C2 | H2C1 | 96.6° | 180.0° |
| O1A | C1 | C2 | H2C2 | 24.0° | 65.7° |
| O1B | C1 | C2 | C3 | 37.5° | 122.8° |
| O1B | C1 | C2 | H2C1 | 82.5° | 0.6° |
| O1B | C1 | C2 | H2C2 | 156.9° | 114.9° |
| C1 | C2 | C3 | H2C1 | 120.0° | 122.0° |
| C1 | C2 | C3 | H2C2 | 119.5° | 120.7° |
| C1 | C2 | C3 | O3 | 63.0° | 65.0° |
| C1 | C2 | C3 | C4 | 176.9° | 58.9° |
| C2 | C1 | O1B | H1B | 179.0° | 179.4° |
| C1 | C2 | H2C1 | H2C2 | 119.5° | 115.1° |
| C1 | C2 | C3 | H3 | 56.5° | 180.0° |
| C2 | C3 | O3 | C4 | 118.0° | 125.0° |
| C2 | C3 | O3 | H3 | 121.6° | 115.2° |
| C2 | C3 | C4 | H3 | 121.6° | 119.4° |
| C2 | C3 | C4 | C5 | 142.5° | 177.7° |
| C3 | C2 | H2C1 | H2C2 | 119.4° | 119.7° |
| C2 | C3 | O3 | HA | 55.6° | 42.1° |
| C2 | C3 | C4 | H4C1 | 22.5° | 60.0° |
| C2 | C3 | C4 | H4C2 | 101.0° | 55.5° |
| O3 | C3 | C4 | H3 | 119.5° | 117.8° |
| O3 | C3 | C4 | C5 | 98.6° | 59.5° |
| O3 | C3 | C2 | H2C1 | 177.1° | 173.0° |
| O3 | C3 | C2 | H2C2 | 56.5° | 55.7° |
| O3 | C3 | C4 | H4C1 | 141.4° | 62.7° |
| O3 | C3 | C4 | H4C2 | 17.8° | 178.2° |
| C3 | C4 | C5 | H4C1 | 120.0° | 122.4° |
| C3 | C4 | C5 | H4C2 | 116.4° | 122.7° |
| C3 | C4 | C5 | C5A | 64.2° | 62.4° |
| C3 | C4 | C5 | C5B | 178.0° | 179.2° |
| C3 | C4 | C5 | C5C | 57.9° | 60.1° |
| C4 | C3 | C2 | H2C1 | 56.9° | 63.1° |
| C4 | C3 | C2 | H2C2 | 63.7° | 179.6° |
| C4 | C3 | O3 | HA | 62.4° | 167.1° |
| C3 | C4 | H4C1 | H4C2 | 116.9° | 116.8° |
| C4 | C5 | C5A | C5B | 116.5° | 118.1° |
| C4 | C5 | C5A | C5C | 124.0° | 124.4° |
| C4 | C5 | C5B | C5C | 120.4° | 121.6° |
| C5 | C4 | C3 | H3 | 20.9° | 58.3° |
| C5 | C4 | H4C1 | H4C2 | 116.9° | 115.6° |
| C4 | C5 | C5A | H5A1 | 90.7° | 53.2° |
| C4 | C5 | C5A | H5A2 | 29.3° | 172.9° |
| C4 | C5 | C5A | H5A3 | 149.3° | 67.6° |
| C4 | C5 | C5B | H5B1 | 51.9° | 59.5° |
| C4 | C5 | C5B | H5B2 | 68.1° | 179.4° |
| C4 | C5 | C5B | H5B3 | 171.9° | 60.6° |
| C4 | C5 | C5C | H5C1 | 105.7° | 69.4° |
| C4 | C5 | C5C | H5C2 | 14.3° | 51.8° |
| C4 | C5 | C5C | H5C3 | 134.3° | 171.5° |
| C5A | C5 | C5B | C5C | 117.6° | 118.2° |
| C5A | C5 | C4 | H4C1 | 55.8° | 60.0° |
| C5A | C5 | C4 | H4C2 | 179.3° | 174.8° |
| C5 | C5A | H5A1 | H5A2 | 120.0° | 121.7° |
| C5 | C5A | H5A1 | H5A3 | 120.0° | 123.1° |
| C5 | C5A | H5A2 | H5A3 | 120.0° | 122.4° |
| C5A | C5 | C5B | H5B1 | 70.2° | 60.7° |
| C5A | C5 | C5B | H5B2 | 169.8° | 59.3° |
| C5A | C5 | C5B | H5B3 | 49.8° | 179.2° |
| C5A | C5 | C5C | H5C1 | 128.5° | 54.3° |
| C5A | C5 | C5C | H5C2 | 111.5° | 175.4° |
| C5A | C5 | C5C | H5C3 | 8.6° | 64.9° |
| C5B | C5 | C4 | H4C1 | 62.0° | 58.4° |
| C5B | C5 | C4 | H4C2 | 61.6° | 56.5° |
| C5B | C5 | C5A | H5A1 | 152.8° | 64.8° |
| C5B | C5 | C5A | H5A2 | 87.2° | 54.8° |
| C5B | C5 | C5A | H5A3 | 32.8° | 174.3° |
| C5 | C5B | H5B1 | H5B2 | 120.0° | 122.1° |
| C5 | C5B | H5B1 | H5B3 | 120.0° | 122.1° |
| C5 | C5B | H5B2 | H5B3 | 120.0° | 122.0° |
| C5B | C5 | C5C | H5C1 | 11.1° | 171.8° |
| C5B | C5 | C5C | H5C2 | 131.1° | 67.0° |
| C5B | C5 | C5C | H5C3 | 108.9° | 52.7° |
| C5C | C5 | C4 | H4C1 | 177.9° | 177.5° |
| C5C | C5 | C4 | H4C2 | 58.5° | 62.6° |
| C5C | C5 | C5A | H5A1 | 33.3° | 177.6° |
| C5C | C5 | C5A | H5A2 | 153.3° | 62.7° |
| C5C | C5 | C5A | H5A3 | 86.7° | 56.8° |
| C5C | C5 | C5B | H5B1 | 172.2° | 178.8° |
| C5C | C5 | C5B | H5B2 | 52.3° | 58.9° |
| C5C | C5 | C5B | H5B3 | 67.8° | 61.0° |
| C5 | C5C | H5C1 | H5C2 | 120.0° | 122.8° |
| C5 | C5C | H5C1 | H5C3 | 120.0° | 121.6° |
| C5 | C5C | H5C2 | H5C3 | 120.0° | 121.7° |
| H2C1 | C2 | C3 | H3 | 63.5° | 58.0° |
| H2C2 | C2 | C3 | H3 | 176.0° | 59.3° |
| H3 | C3 | O3 | HA | 177.2° | 73.1° |
| H3 | C3 | C4 | H4C1 | 99.1° | 179.4° |
| H3 | C3 | C4 | H4C2 | 137.4° | 63.9° |
| H5A1 | C5A | H5A2 | H5A3 | 120.0° | 115.9° |
| H5B1 | C5B | H5B2 | H5B3 | 120.0° | 116.0° |
| H5C1 | C5C | H5C2 | H5C3 | 120.0° | 115.1° |
