VOK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C2 | sing | 1.53Å | 1.55Å | |
| O2 | C5 | doub | 1.21Å | 1.21Å | |
| C2 | C5 | sing | 1.52Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.52Å | 1.50Å | |
| C5 | N1 | sing | 1.35Å | 1.39Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C6 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | C4 | sing | 1.34Å | 1.41Å | |
| C3 | O | doub | 1.21Å | 1.20Å | |
| C3 | N | sing | 1.35Å | 1.40Å | |
| C4 | N | sing | 1.34Å | 1.39Å | |
| C4 | O1 | doub | 1.21Å | 1.22Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C2 | 113.2° | 109.5° |
| C8 | C7 | H1 | 108.5° | 109.5° |
| C8 | C7 | H2 | 108.5° | 109.4° |
| C7 | C8 | H3 | 109.5° | 109.4° |
| C7 | C8 | H4 | 109.5° | 109.4° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C2 | C5 | 108.2° | 108.1° |
| C7 | C2 | C1 | 107.2° | 108.0° |
| C7 | C2 | C3 | 108.6° | 108.1° |
| C2 | C7 | H1 | 108.6° | 109.5° |
| C2 | C7 | H2 | 108.5° | 109.5° |
| O2 | C5 | C2 | 122.6° | 121.2° |
| O2 | C5 | N1 | 118.0° | 121.2° |
| C5 | C2 | C1 | 107.2° | 108.1° |
| C5 | C2 | C3 | 114.6° | 116.2° |
| C2 | C5 | N1 | 119.4° | 117.5° |
| C1 | C2 | C3 | 110.8° | 108.0° |
| C2 | C1 | C | 111.2° | 109.5° |
| C2 | C1 | H6 | 109.0° | 109.5° |
| C2 | C1 | H7 | 109.0° | 109.4° |
| C2 | C3 | O | 121.6° | 121.2° |
| C2 | C3 | N | 120.3° | 117.6° |
| C5 | N1 | C6 | 116.9° | 119.0° |
| C5 | N1 | C4 | 124.0° | 122.0° |
| C | C1 | H6 | 109.0° | 109.5° |
| C | C1 | H7 | 109.0° | 109.5° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| C1 | C | H13 | 109.4° | 109.4° |
| C6 | N1 | C4 | 119.1° | 119.0° |
| N1 | C6 | H8 | 109.5° | 109.5° |
| N1 | C6 | H9 | 109.5° | 109.5° |
| N1 | C6 | H10 | 109.4° | 109.5° |
| N1 | C4 | N | 118.0° | 124.8° |
| N1 | C4 | O1 | 123.1° | 117.6° |
| O | C3 | N | 118.1° | 121.2° |
| C3 | N | C4 | 123.6° | 122.0° |
| C3 | N | H14 | 118.2° | 119.0° |
| N | C4 | O1 | 118.9° | 117.6° |
| C4 | N | H14 | 118.2° | 119.0° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H3 | C8 | H5 | 109.4° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.4° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C2 | H1 | 120.6° | 120.0° |
| C8 | C7 | C2 | H2 | 120.6° | 120.0° |
| C8 | C7 | C2 | C5 | 118.4° | 60.0° |
| C8 | C7 | C2 | C1 | 126.3° | 176.8° |
| C8 | C7 | C2 | C3 | 6.6° | 66.6° |
| C8 | C7 | H1 | H2 | 118.3° | 120.0° |
| C7 | C8 | H3 | H4 | 120.0° | 119.9° |
| C7 | C8 | H3 | H5 | 120.0° | 120.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C7 | C2 | C5 | O2 | 62.3° | 58.3° |
| C7 | C2 | C5 | C1 | 115.3° | 116.7° |
| C7 | C2 | C5 | C3 | 121.3° | 121.7° |
| C7 | C2 | C1 | C3 | 118.3° | 116.7° |
| C7 | C2 | C5 | N1 | 117.8° | 121.8° |
| C7 | C2 | C1 | C | 134.6° | 180.0° |
| C7 | C2 | C3 | O | 64.2° | 58.3° |
| C7 | C2 | C3 | N | 116.2° | 121.8° |
| C2 | C7 | H1 | H2 | 118.3° | 120.0° |
| C2 | C7 | C8 | H3 | 180.0° | 180.0° |
| C2 | C7 | C8 | H4 | 60.0° | 60.0° |
| C2 | C7 | C8 | H5 | 60.0° | 60.0° |
| C7 | C2 | C1 | H6 | 105.1° | 60.0° |
| C7 | C2 | C1 | H7 | 14.3° | 60.0° |
| O2 | C5 | C2 | N1 | 179.9° | 179.9° |
| O2 | C5 | C2 | C1 | 53.0° | 58.4° |
| O2 | C5 | C2 | C3 | 176.4° | 180.0° |
| O2 | C5 | N1 | C6 | 0.8° | 0.2° |
| O2 | C5 | N1 | C4 | 179.7° | 180.0° |
| C5 | C2 | C1 | C3 | 125.7° | 126.5° |
| C5 | C2 | C1 | C | 109.4° | 63.2° |
| C2 | C5 | N1 | C6 | 179.3° | 179.7° |
| C2 | C5 | N1 | C4 | 0.2° | 0.1° |
| C5 | C2 | C3 | O | 174.7° | 179.9° |
| C5 | C2 | C3 | N | 4.9° | 0.1° |
| C5 | C2 | C7 | H1 | 2.2° | 60.0° |
| C5 | C2 | C7 | H2 | 121.1° | 179.9° |
| C5 | C2 | C1 | H6 | 10.8° | 56.8° |
| C5 | C2 | C1 | H7 | 130.3° | 176.8° |
| C1 | C2 | C5 | N1 | 126.9° | 121.5° |
| C2 | C1 | C | H6 | 120.3° | 120.0° |
| C2 | C1 | C | H7 | 120.3° | 119.9° |
| C1 | C2 | C3 | O | 53.3° | 58.3° |
| C1 | C2 | C3 | N | 126.3° | 121.6° |
| C1 | C2 | C7 | H1 | 113.1° | 56.8° |
| C1 | C2 | C7 | H2 | 5.8° | 63.3° |
| C2 | C1 | H6 | H7 | 119.2° | 119.9° |
| C2 | C1 | C | H11 | 180.0° | 60.0° |
| C2 | C1 | C | H12 | 60.0° | 60.0° |
| C2 | C1 | C | H13 | 60.0° | 180.0° |
| C3 | C2 | C5 | N1 | 3.5° | 0.0° |
| C3 | C2 | C1 | C | 16.3° | 63.3° |
| C2 | C3 | O | N | 179.6° | 179.9° |
| C2 | C3 | N | C4 | 3.0° | 0.1° |
| C3 | C2 | C7 | H1 | 127.1° | 173.4° |
| C3 | C2 | C7 | H2 | 114.0° | 53.4° |
| C3 | C2 | C1 | H6 | 136.5° | 176.7° |
| C3 | C2 | C1 | H7 | 104.0° | 56.7° |
| C2 | C3 | N | H14 | 177.0° | 180.0° |
| C5 | N1 | C6 | C4 | 179.5° | 179.8° |
| C5 | N1 | C4 | N | 2.1° | 0.1° |
| C5 | N1 | C4 | O1 | 176.7° | 180.0° |
| C5 | N1 | C6 | H8 | 180.0° | 179.7° |
| C5 | N1 | C6 | H9 | 60.0° | 60.3° |
| C5 | N1 | C6 | H10 | 60.0° | 59.7° |
| C | C1 | H6 | H7 | 119.2° | 120.1° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H13 | 120.0° | 120.0° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| C6 | N1 | C4 | N | 178.5° | 179.7° |
| C6 | N1 | C4 | O1 | 2.7° | 0.3° |
| N1 | C6 | H8 | H9 | 120.0° | 120.0° |
| N1 | C6 | H8 | H10 | 120.0° | 120.0° |
| N1 | C6 | H9 | H10 | 120.0° | 120.0° |
| N1 | C4 | N | C3 | 0.6° | 0.1° |
| N1 | C4 | N | O1 | 178.9° | 179.9° |
| C4 | N1 | C6 | H8 | 0.5° | 0.0° |
| C4 | N1 | C6 | H9 | 119.5° | 119.9° |
| C4 | N1 | C6 | H10 | 120.5° | 120.0° |
| N1 | C4 | N | H14 | 179.4° | 180.0° |
| O | C3 | N | C4 | 176.6° | 180.0° |
| O | C3 | N | H14 | 3.4° | 0.2° |
| C3 | N | C4 | H14 | 180.0° | 179.9° |
| C3 | N | C4 | O1 | 178.3° | 179.9° |
| O1 | C4 | N | H14 | 1.7° | 0.1° |
| H1 | C7 | C8 | H3 | 59.4° | 60.0° |
| H1 | C7 | C8 | H4 | 60.6° | 60.0° |
| H1 | C7 | C8 | H5 | 179.4° | 180.0° |
| H2 | C7 | C8 | H3 | 59.4° | 60.1° |
| H2 | C7 | C8 | H4 | 179.4° | 180.0° |
| H2 | C7 | C8 | H5 | 60.6° | 60.0° |
| H3 | C8 | H4 | H5 | 120.0° | 120.0° |
| H6 | C1 | C | H11 | 59.7° | 180.0° |
| H6 | C1 | C | H12 | 179.7° | 60.0° |
| H6 | C1 | C | H13 | 60.3° | 60.0° |
| H7 | C1 | C | H11 | 59.8° | 60.0° |
| H7 | C1 | C | H12 | 60.3° | 180.0° |
| H7 | C1 | C | H13 | 179.7° | 60.0° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
