VGO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C5 | sing | 1.43Å | 1.41Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | O3 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| O5 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.34Å | 1.24Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C5 | C4 | 109.0° | 109.5° |
| O4 | C5 | O3 | 114.3° | 109.5° |
| O4 | C5 | C6 | 101.7° | 109.5° |
| C5 | O4 | H11 | 109.5° | 114.0° |
| C5 | C4 | N1 | 111.5° | 109.5° |
| C4 | C5 | O3 | 110.3° | 109.5° |
| C4 | C5 | C6 | 113.2° | 109.3° |
| C5 | C4 | H1 | 109.0° | 109.5° |
| C5 | C4 | H2 | 109.0° | 109.5° |
| C4 | N1 | C3 | 112.5° | 111.2° |
| N1 | C4 | H1 | 109.0° | 109.4° |
| N1 | C4 | H2 | 108.9° | 109.5° |
| C4 | N1 | H4 | 108.7° | 111.0° |
| O3 | C5 | C6 | 108.2° | 109.5° |
| C5 | O3 | H10 | 109.5° | 114.0° |
| C5 | C6 | O5 | 111.0° | 109.5° |
| C5 | C6 | C2 | 111.0° | 109.1° |
| C5 | C6 | H3 | 108.0° | 109.6° |
| O5 | C6 | C2 | 109.2° | 109.5° |
| O5 | C6 | H3 | 109.5° | 109.6° |
| C6 | O5 | H12 | 109.5° | 114.0° |
| C6 | C2 | C3 | 107.3° | 109.3° |
| C6 | C2 | C1 | 108.5° | 109.5° |
| C2 | C6 | H3 | 108.2° | 109.5° |
| C6 | C2 | H9 | 107.6° | 109.4° |
| N1 | C3 | C2 | 112.2° | 109.6° |
| C3 | N1 | H4 | 108.7° | 111.1° |
| N1 | C3 | H6 | 108.8° | 109.5° |
| N1 | C3 | H7 | 108.8° | 109.4° |
| C3 | C2 | C1 | 118.0° | 109.6° |
| C2 | C3 | H6 | 108.7° | 109.5° |
| C2 | C3 | H7 | 108.8° | 109.4° |
| C3 | C2 | H9 | 107.6° | 109.5° |
| C2 | C1 | O1 | 117.8° | 120.0° |
| C2 | C1 | O2 | 119.0° | 120.0° |
| C1 | C2 | H9 | 107.4° | 109.5° |
| O1 | C1 | O2 | 123.2° | 120.0° |
| C1 | O2 | H8 | 109.5° | 117.1° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C5 | C4 | O3 | 126.2° | 120.1° |
| O4 | C5 | C4 | C6 | 112.4° | 120.0° |
| O4 | C5 | C4 | N1 | 159.9° | 179.2° |
| O4 | C5 | O3 | C6 | 112.5° | 120.1° |
| O4 | C5 | C6 | O5 | 46.2° | 57.7° |
| O4 | C5 | C6 | C2 | 167.8° | 177.6° |
| O4 | C5 | C4 | H1 | 39.6° | 59.2° |
| O4 | C5 | C4 | H2 | 79.8° | 60.8° |
| O4 | C5 | C6 | H3 | 73.7° | 62.5° |
| O4 | C5 | O3 | H10 | 180.0° | 60.1° |
| C5 | C4 | N1 | H1 | 120.3° | 120.0° |
| C5 | C4 | N1 | H2 | 120.3° | 120.1° |
| C4 | C5 | O3 | C6 | 124.3° | 119.8° |
| C4 | C5 | C6 | O5 | 70.5° | 62.2° |
| C4 | C5 | C6 | C2 | 51.1° | 57.6° |
| C5 | C4 | N1 | C3 | 51.6° | 61.7° |
| C5 | C4 | H1 | H2 | 119.1° | 120.0° |
| C4 | C5 | C6 | H3 | 169.5° | 177.5° |
| C5 | C4 | N1 | H4 | 172.0° | 174.1° |
| C4 | C5 | O3 | H10 | 56.9° | 60.0° |
| C4 | C5 | O4 | H11 | 180.0° | 60.0° |
| N1 | C4 | C5 | O3 | 73.9° | 60.8° |
| N1 | C4 | C5 | C6 | 47.6° | 59.2° |
| C4 | N1 | C3 | H4 | 120.5° | 124.1° |
| C4 | N1 | C3 | C2 | 60.7° | 61.7° |
| N1 | C4 | H1 | H2 | 119.0° | 120.0° |
| C4 | N1 | C3 | H6 | 59.6° | 58.3° |
| C4 | N1 | C3 | H7 | 178.9° | 178.3° |
| O3 | C5 | C6 | O5 | 166.9° | 177.8° |
| O3 | C5 | C6 | C2 | 71.5° | 62.3° |
| O3 | C5 | C4 | H1 | 165.8° | 179.2° |
| O3 | C5 | C4 | H2 | 46.4° | 59.3° |
| O3 | C5 | C6 | H3 | 46.9° | 57.6° |
| O3 | C5 | O4 | H11 | 56.1° | 60.1° |
| C5 | C6 | O5 | C2 | 122.7° | 119.6° |
| C5 | C6 | O5 | H3 | 119.1° | 120.2° |
| C5 | C6 | C2 | H3 | 118.3° | 119.9° |
| C5 | C6 | C2 | C3 | 56.2° | 57.6° |
| C5 | C6 | C2 | C1 | 175.2° | 177.6° |
| C6 | C5 | C4 | H1 | 72.8° | 60.8° |
| C6 | C5 | C4 | H2 | 167.8° | 179.3° |
| C5 | C6 | C2 | H9 | 59.3° | 62.3° |
| C6 | C5 | O3 | H10 | 67.5° | 179.8° |
| C6 | C5 | O4 | H11 | 60.2° | 179.8° |
| C5 | C6 | O5 | H12 | 180.0° | 60.0° |
| O5 | C6 | C2 | H3 | 119.0° | 120.2° |
| O5 | C6 | C2 | C3 | 66.4° | 62.3° |
| O5 | C6 | C2 | C1 | 62.1° | 57.7° |
| O5 | C6 | C2 | H9 | 178.1° | 177.8° |
| C6 | C2 | C3 | N1 | 61.7° | 59.2° |
| C6 | C2 | C3 | C1 | 122.9° | 120.0° |
| C6 | C2 | C3 | H9 | 115.5° | 119.9° |
| C6 | C2 | C1 | H9 | 116.1° | 120.0° |
| C6 | C2 | C1 | O1 | 67.1° | 0.0° |
| C6 | C2 | C1 | O2 | 112.7° | 180.0° |
| C6 | C2 | C3 | H6 | 58.7° | 60.9° |
| C6 | C2 | C3 | H7 | 177.9° | 179.2° |
| C2 | C6 | O5 | H12 | 57.3° | 179.6° |
| N1 | C3 | C2 | H6 | 120.4° | 120.0° |
| N1 | C3 | C2 | H7 | 120.4° | 120.0° |
| N1 | C3 | C2 | C1 | 175.5° | 179.1° |
| C3 | N1 | C4 | H1 | 68.7° | 58.3° |
| C3 | N1 | C4 | H2 | 171.9° | 178.2° |
| N1 | C3 | H6 | H7 | 118.8° | 120.0° |
| N1 | C3 | C2 | H9 | 53.9° | 60.7° |
| C3 | C2 | C1 | H9 | 121.7° | 120.1° |
| C3 | C2 | C1 | O1 | 170.6° | 119.8° |
| C3 | C2 | C1 | O2 | 9.5° | 60.2° |
| C3 | C2 | C6 | H3 | 174.5° | 177.5° |
| C2 | C3 | N1 | H4 | 178.8° | 174.2° |
| C2 | C3 | H6 | H7 | 118.7° | 120.0° |
| C2 | C1 | O1 | O2 | 179.8° | 180.0° |
| C1 | C2 | C6 | H3 | 56.9° | 62.5° |
| C1 | C2 | C3 | H6 | 64.1° | 59.1° |
| C1 | C2 | C3 | H7 | 55.1° | 60.9° |
| C2 | C1 | O2 | H8 | 179.8° | 180.0° |
| O1 | C1 | O2 | H8 | 0.0° | 0.0° |
| O1 | C1 | C2 | H9 | 48.9° | 120.1° |
| O2 | C1 | C2 | H9 | 131.2° | 59.9° |
| H1 | C4 | N1 | H4 | 51.7° | 65.8° |
| H2 | C4 | N1 | H4 | 67.7° | 54.1° |
| H3 | C6 | C2 | H9 | 59.0° | 57.6° |
| H3 | C6 | O5 | H12 | 60.9° | 60.2° |
| H4 | N1 | C3 | H6 | 60.8° | 65.8° |
| H4 | N1 | C3 | H7 | 58.4° | 54.2° |
| H6 | C3 | C2 | H9 | 174.2° | 179.3° |
| H7 | C3 | C2 | H9 | 66.6° | 59.3° |
