VSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.54Å | 1.49Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.51Å | 1.44Å | |
| C8 | C3 | sing | 1.50Å | 1.42Å | |
| C4 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | N | doub | 1.30Å | 1.33Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.38Å | Aromatic |
| N | N1 | sing | 1.29Å | 1.28Å | Aromatic |
| O | C | sing | 1.45Å | 1.39Å | |
| O | C1 | sing | 1.35Å | 1.36Å | |
| C2 | N1 | sing | 1.37Å | 1.45Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.38Å | |
| C1 | O1 | doub | 1.22Å | 1.19Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 105.0° | 109.7° |
| C7 | C6 | C5 | 113.3° | 109.9° |
| C6 | C7 | H2 | 110.5° | 109.4° |
| C6 | C7 | H3 | 110.6° | 109.5° |
| C7 | C6 | H8 | 108.5° | 109.4° |
| C7 | C6 | H9 | 108.5° | 109.5° |
| C7 | C8 | C3 | 106.5° | 108.1° |
| C8 | C7 | H2 | 110.6° | 109.4° |
| C8 | C7 | H3 | 110.6° | 109.4° |
| C7 | C8 | H4 | 110.2° | 109.8° |
| C7 | C8 | H5 | 110.2° | 109.7° |
| C6 | C5 | C4 | 109.8° | 108.2° |
| C6 | C5 | H6 | 109.4° | 109.7° |
| C6 | C5 | H7 | 109.4° | 109.7° |
| C5 | C6 | H8 | 108.5° | 109.3° |
| C5 | C6 | H9 | 108.5° | 109.4° |
| C5 | C4 | C3 | 124.5° | 123.2° |
| C5 | C4 | N | 127.1° | 129.0° |
| C4 | C5 | H6 | 109.4° | 109.8° |
| C4 | C5 | H7 | 109.4° | 109.7° |
| C8 | C3 | C4 | 120.9° | 124.2° |
| C8 | C3 | C2 | 133.5° | 129.9° |
| C3 | C8 | H4 | 110.2° | 109.7° |
| C3 | C8 | H5 | 110.2° | 109.7° |
| C3 | C4 | N | 108.5° | 107.7° |
| C4 | C3 | C2 | 105.3° | 105.9° |
| C4 | N | N1 | 112.0° | 110.8° |
| C3 | C2 | N1 | 106.5° | 105.9° |
| C3 | C2 | C1 | 126.5° | 127.1° |
| N | N1 | C2 | 107.7° | 109.7° |
| N | N1 | H1 | 126.2° | 125.2° |
| C | O | C1 | 122.0° | 117.0° |
| O | C | H10 | 109.5° | 109.5° |
| O | C | H11 | 109.5° | 109.5° |
| O | C | H12 | 109.5° | 109.5° |
| O | C1 | C2 | 107.6° | 120.0° |
| O | C1 | O1 | 123.8° | 119.9° |
| N1 | C2 | C1 | 126.4° | 127.0° |
| C2 | N1 | H1 | 126.1° | 125.2° |
| C2 | C1 | O1 | 128.6° | 120.0° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.8° |
| H6 | C5 | H7 | 109.5° | 109.7° |
| H8 | C6 | H9 | 109.5° | 109.3° |
| H10 | C | H11 | 109.4° | 109.5° |
| H10 | C | H12 | 109.5° | 109.4° |
| H11 | C | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H2 | 119.3° | 120.1° |
| C6 | C7 | C8 | H3 | 119.3° | 120.1° |
| C7 | C6 | C5 | H8 | 120.6° | 120.1° |
| C7 | C6 | C5 | H9 | 120.6° | 120.2° |
| C7 | C6 | C5 | C4 | 32.0° | 50.7° |
| C6 | C7 | C8 | C3 | 66.1° | 50.0° |
| C6 | C7 | H2 | H3 | 122.0° | 119.9° |
| C6 | C7 | C8 | H4 | 53.4° | 169.6° |
| C6 | C7 | C8 | H5 | 174.3° | 69.6° |
| C7 | C6 | C5 | H6 | 88.1° | 170.5° |
| C7 | C6 | C5 | H7 | 152.0° | 69.0° |
| C7 | C6 | H8 | H9 | 118.2° | 119.9° |
| C8 | C7 | C6 | C5 | 66.2° | 71.3° |
| C7 | C8 | C3 | H4 | 119.5° | 119.7° |
| C7 | C8 | C3 | H5 | 119.5° | 119.6° |
| C7 | C8 | C3 | C4 | 39.5° | 16.3° |
| C7 | C8 | C3 | C2 | 147.4° | 163.6° |
| C8 | C7 | H2 | H3 | 122.1° | 119.8° |
| C7 | C8 | H4 | H5 | 121.4° | 120.7° |
| C8 | C7 | C6 | H8 | 173.3° | 48.7° |
| C8 | C7 | C6 | H9 | 54.4° | 168.5° |
| C6 | C5 | C4 | H6 | 120.1° | 119.7° |
| C6 | C5 | C4 | H7 | 120.0° | 119.7° |
| C6 | C5 | C4 | C3 | 1.6° | 16.8° |
| C6 | C5 | C4 | N | 178.6° | 163.2° |
| C5 | C6 | C7 | H2 | 174.5° | 168.6° |
| C5 | C6 | C7 | H3 | 53.1° | 48.7° |
| C6 | C5 | H6 | H7 | 119.8° | 120.6° |
| C5 | C6 | H8 | H9 | 118.2° | 119.7° |
| C5 | C4 | C3 | C8 | 5.9° | 0.2° |
| C5 | C4 | C3 | N | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 179.3° | 179.9° |
| C5 | C4 | N | N1 | 178.5° | 179.7° |
| C4 | C5 | H6 | H7 | 119.8° | 120.6° |
| C4 | C5 | C6 | H8 | 152.6° | 69.4° |
| C4 | C5 | C6 | H9 | 88.6° | 170.9° |
| C8 | C3 | C4 | C2 | 174.8° | 180.0° |
| C8 | C3 | C4 | N | 174.2° | 179.8° |
| C8 | C3 | C2 | N1 | 174.1° | 180.0° |
| C8 | C3 | C2 | C1 | 3.0° | 0.0° |
| C3 | C8 | C7 | H2 | 174.6° | 170.1° |
| C3 | C8 | C7 | H3 | 53.1° | 70.1° |
| C3 | C8 | H4 | H5 | 121.4° | 120.7° |
| C3 | C4 | N | N1 | 1.4° | 0.3° |
| C4 | C3 | C2 | N1 | 0.3° | 0.0° |
| C4 | C3 | C2 | C1 | 170.8° | 179.9° |
| C4 | C3 | C8 | H4 | 80.1° | 136.0° |
| C4 | C3 | C8 | H5 | 159.0° | 103.3° |
| C3 | C4 | C5 | H6 | 118.5° | 136.6° |
| C3 | C4 | C5 | H7 | 121.6° | 102.8° |
| N | C4 | C3 | C2 | 0.6° | 0.2° |
| C4 | N | N1 | C2 | 1.5° | 0.3° |
| C4 | N | N1 | H1 | 178.5° | 179.9° |
| N | C4 | C5 | H6 | 61.3° | 43.4° |
| N | C4 | C5 | H7 | 58.5° | 77.2° |
| C3 | C2 | N1 | N | 1.1° | 0.2° |
| C3 | C2 | C1 | O | 15.1° | 180.0° |
| C3 | C2 | N1 | C1 | 171.1° | 180.0° |
| C3 | C2 | C1 | O1 | 163.5° | 0.0° |
| C3 | C2 | N1 | H1 | 178.9° | 180.0° |
| C2 | C3 | C8 | H4 | 93.0° | 44.0° |
| C2 | C3 | C8 | H5 | 27.9° | 76.7° |
| N | N1 | C2 | H1 | 180.0° | 179.7° |
| N | N1 | C2 | C1 | 170.0° | 179.8° |
| C | O | C1 | C2 | 177.7° | 180.0° |
| C | O | C1 | O1 | 3.7° | 0.1° |
| O | C | H10 | H11 | 120.0° | 120.0° |
| O | C | H10 | H12 | 120.0° | 120.0° |
| O | C | H11 | H12 | 120.0° | 120.0° |
| O | C1 | C2 | N1 | 175.5° | 0.0° |
| O | C1 | C2 | O1 | 178.6° | 179.9° |
| C1 | O | C | H10 | 180.0° | 60.1° |
| C1 | O | C | H11 | 60.0° | 60.0° |
| C1 | O | C | H12 | 60.0° | 180.0° |
| N1 | C2 | C1 | O1 | 5.9° | 179.9° |
| C1 | C2 | N1 | H1 | 10.0° | 0.0° |
| H2 | C7 | C8 | H4 | 65.9° | 70.3° |
| H2 | C7 | C8 | H5 | 55.1° | 50.4° |
| H2 | C7 | C6 | H8 | 54.0° | 71.4° |
| H2 | C7 | C6 | H9 | 64.9° | 48.4° |
| H3 | C7 | C8 | H4 | 172.7° | 49.6° |
| H3 | C7 | C8 | H5 | 66.4° | 170.3° |
| H3 | C7 | C6 | H8 | 67.5° | 168.7° |
| H3 | C7 | C6 | H9 | 173.7° | 71.5° |
| H6 | C5 | C6 | H8 | 32.5° | 50.4° |
| H6 | C5 | C6 | H9 | 151.4° | 69.3° |
| H7 | C5 | C6 | H8 | 87.4° | 170.9° |
| H7 | C5 | C6 | H9 | 31.5° | 51.2° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
