VWC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| O | C3 | sing | 1.43Å | 1.38Å | |
| O | C4 | sing | 1.36Å | 1.34Å | |
| C9 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.46Å | |
| C10 | O1 | doub | 1.22Å | 1.22Å | |
| C10 | N | sing | 1.35Å | 1.38Å | |
| N | N1 | sing | 1.37Å | 1.38Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.9° | 109.5° |
| C | C1 | C3 | 110.6° | 109.4° |
| C | C1 | H5 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.4° |
| C1 | C | H16 | 109.4° | 109.5° |
| C2 | C1 | C3 | 106.6° | 109.5° |
| C2 | C1 | H5 | 109.6° | 109.5° |
| C1 | C2 | H10 | 109.5° | 109.4° |
| C1 | C2 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.5° | 109.5° |
| C1 | C3 | O | 101.0° | 109.5° |
| C3 | C1 | H5 | 109.5° | 109.4° |
| C1 | C3 | H8 | 111.5° | 109.5° |
| C1 | C3 | H9 | 111.5° | 109.5° |
| C3 | O | C4 | 115.9° | 117.0° |
| O | C3 | H8 | 111.6° | 109.5° |
| O | C3 | H9 | 111.6° | 109.5° |
| O | C4 | C9 | 118.5° | 120.0° |
| O | C4 | C5 | 118.9° | 119.9° |
| C4 | C9 | C8 | 119.0° | 120.1° |
| C9 | C4 | C5 | 122.6° | 120.1° |
| C4 | C9 | H4 | 120.5° | 119.9° |
| C9 | C8 | C7 | 120.0° | 119.9° |
| C9 | C8 | H3 | 120.0° | 120.1° |
| C8 | C9 | H4 | 120.5° | 119.9° |
| C4 | C5 | C6 | 118.1° | 120.1° |
| C4 | C5 | H6 | 121.0° | 119.9° |
| C8 | C7 | C6 | 120.9° | 119.8° |
| C8 | C7 | C10 | 116.7° | 120.2° |
| C7 | C8 | H3 | 120.0° | 120.0° |
| C5 | C6 | C7 | 119.4° | 119.9° |
| C6 | C5 | H6 | 120.9° | 120.0° |
| C5 | C6 | H7 | 120.3° | 120.0° |
| C6 | C7 | C10 | 122.3° | 120.0° |
| C7 | C6 | H7 | 120.3° | 120.1° |
| C7 | C10 | O1 | 123.9° | 120.0° |
| C7 | C10 | N | 117.0° | 120.0° |
| O1 | C10 | N | 119.1° | 120.0° |
| C10 | N | N1 | 121.1° | 120.0° |
| C10 | N | H13 | 119.4° | 120.0° |
| N | N1 | H1 | 109.5° | 111.0° |
| N | N1 | H2 | 109.5° | 111.0° |
| N1 | N | H13 | 119.4° | 120.0° |
| H1 | N1 | H2 | 109.4° | 110.9° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H10 | C2 | H12 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.4° | 109.5° |
| H14 | C | H15 | 109.5° | 109.4° |
| H14 | C | H16 | 109.5° | 109.6° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 120.5° | 120.0° |
| C | C1 | C2 | H5 | 121.0° | 120.0° |
| C | C1 | C3 | H5 | 120.8° | 120.0° |
| C | C1 | C3 | O | 137.7° | 65.0° |
| C | C1 | C3 | H8 | 19.1° | 55.0° |
| C | C1 | C3 | H9 | 103.7° | 175.0° |
| C | C1 | C2 | H10 | 180.0° | 60.0° |
| C | C1 | C2 | H11 | 60.0° | 60.0° |
| C | C1 | C2 | H12 | 60.0° | 180.0° |
| C1 | C | H14 | H15 | 120.0° | 119.9° |
| C1 | C | H14 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H16 | 119.9° | 120.0° |
| C2 | C1 | C3 | H5 | 118.5° | 120.0° |
| C2 | C1 | C3 | O | 101.6° | 175.0° |
| C2 | C1 | C3 | H8 | 139.8° | 65.0° |
| C2 | C1 | C3 | H9 | 17.0° | 55.0° |
| C1 | C2 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | H10 | H12 | 120.0° | 120.0° |
| C1 | C2 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | C | H14 | 180.0° | 179.9° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C2 | C1 | C | H16 | 60.0° | 60.0° |
| C1 | C3 | O | H8 | 118.6° | 120.0° |
| C1 | C3 | O | H9 | 118.6° | 120.0° |
| C1 | C3 | O | C4 | 172.8° | 180.0° |
| C1 | C3 | H8 | H9 | 123.9° | 120.0° |
| C3 | C1 | C2 | H10 | 59.5° | 60.0° |
| C3 | C1 | C2 | H11 | 60.6° | 180.0° |
| C3 | C1 | C2 | H12 | 179.5° | 60.0° |
| C3 | C1 | C | H14 | 61.8° | 60.1° |
| C3 | C1 | C | H15 | 178.1° | 180.0° |
| C3 | C1 | C | H16 | 58.1° | 60.0° |
| C3 | O | C4 | C9 | 155.2° | 180.0° |
| C3 | O | C4 | C5 | 26.8° | 0.2° |
| O | C3 | C1 | H5 | 16.9° | 55.0° |
| O | C3 | H8 | H9 | 124.0° | 120.0° |
| O | C4 | C9 | C5 | 178.0° | 179.8° |
| O | C4 | C9 | C8 | 177.3° | 179.9° |
| O | C4 | C5 | C6 | 177.4° | 179.7° |
| O | C4 | C9 | H4 | 2.7° | 0.1° |
| O | C4 | C5 | H6 | 2.6° | 0.3° |
| C4 | O | C3 | H8 | 54.2° | 60.0° |
| C4 | O | C3 | H9 | 68.6° | 60.0° |
| C4 | C9 | C8 | H4 | 180.0° | 179.9° |
| C4 | C9 | C8 | C7 | 0.2° | 0.1° |
| C9 | C4 | C5 | C6 | 0.5° | 0.5° |
| C4 | C9 | C8 | H3 | 179.8° | 179.9° |
| C9 | C4 | C5 | H6 | 179.5° | 179.9° |
| C8 | C9 | C4 | C5 | 0.7° | 0.1° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C9 | C8 | C7 | C10 | 177.6° | 179.7° |
| C4 | C5 | C6 | H6 | 180.0° | 179.4° |
| C4 | C5 | C6 | C7 | 0.1° | 0.6° |
| C5 | C4 | C9 | H4 | 179.3° | 179.7° |
| C4 | C5 | C6 | H7 | 179.9° | 179.5° |
| C8 | C7 | C6 | C5 | 0.5° | 0.3° |
| C8 | C7 | C6 | C10 | 177.9° | 179.7° |
| C8 | C7 | C10 | O1 | 32.2° | 179.7° |
| C8 | C7 | C10 | N | 148.6° | 0.3° |
| C7 | C8 | C9 | H4 | 179.8° | 180.0° |
| C8 | C7 | C6 | H7 | 179.4° | 179.7° |
| C5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C5 | C6 | C7 | C10 | 177.4° | 180.0° |
| C6 | C7 | C10 | O1 | 145.8° | 0.0° |
| C6 | C7 | C10 | N | 33.4° | 180.0° |
| C6 | C7 | C8 | H3 | 179.6° | 180.0° |
| C7 | C6 | C5 | H6 | 179.9° | 180.0° |
| C7 | C10 | O1 | N | 179.2° | 180.0° |
| C7 | C10 | N | N1 | 179.4° | 180.0° |
| C10 | C7 | C8 | H3 | 2.4° | 0.3° |
| C10 | C7 | C6 | H7 | 2.6° | 0.1° |
| C7 | C10 | N | H13 | 0.6° | 0.0° |
| O1 | C10 | N | N1 | 0.1° | 0.0° |
| O1 | C10 | N | H13 | 179.8° | 180.0° |
| C10 | N | N1 | H13 | 180.0° | 180.0° |
| C10 | N | N1 | H1 | 180.0° | 180.0° |
| C10 | N | N1 | H2 | 60.0° | 56.1° |
| N | N1 | H1 | H2 | 120.0° | 123.9° |
| H1 | N1 | N | H13 | 0.0° | 0.0° |
| H2 | N1 | N | H13 | 120.0° | 123.9° |
| H3 | C8 | C9 | H4 | 0.2° | 0.1° |
| H5 | C1 | C3 | H8 | 101.7° | 175.0° |
| H5 | C1 | C3 | H9 | 135.5° | 65.0° |
| H5 | C1 | C2 | H10 | 59.0° | 180.0° |
| H5 | C1 | C2 | H11 | 179.0° | 60.0° |
| H5 | C1 | C2 | H12 | 61.1° | 60.0° |
| H5 | C1 | C | H14 | 58.9° | 59.9° |
| H5 | C1 | C | H15 | 61.1° | 60.0° |
| H5 | C1 | C | H16 | 178.9° | 180.0° |
| H6 | C5 | C6 | H7 | 0.1° | 0.1° |
| H10 | C2 | H11 | H12 | 120.0° | 120.0° |
| H14 | C | H15 | H16 | 120.0° | 120.1° |
