VWH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.54Å | 1.53Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C10 | C9 | sing | 1.55Å | 1.53Å | |
| C9 | C8 | sing | 1.55Å | 1.54Å | |
| C8 | C12 | sing | 1.54Å | 1.53Å | |
| C8 | N | sing | 1.47Å | 1.54Å | |
| O1 | C6 | sing | 1.36Å | 1.34Å | |
| C7 | N | sing | 1.47Å | 1.52Å | |
| C7 | C5 | sing | 1.51Å | 1.49Å | |
| C | O | sing | 1.43Å | 1.39Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| O | C1 | sing | 1.36Å | 1.33Å | |
| C1 | C2 | doub | 1.39Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 104.0° | 106.6° |
| C11 | C10 | C9 | 104.6° | 104.2° |
| C10 | C11 | H17 | 110.8° | 110.0° |
| C10 | C11 | H18 | 110.8° | 110.0° |
| C11 | C10 | H19 | 110.7° | 110.5° |
| C11 | C10 | H20 | 110.7° | 110.5° |
| C11 | C12 | C8 | 103.1° | 106.6° |
| C11 | C12 | H15 | 111.0° | 110.0° |
| C11 | C12 | H16 | 111.1° | 110.1° |
| C12 | C11 | H17 | 110.8° | 110.0° |
| C12 | C11 | H18 | 110.8° | 110.0° |
| C10 | C9 | C8 | 105.6° | 102.7° |
| C10 | C9 | H4 | 110.4° | 110.7° |
| C10 | C9 | H5 | 110.4° | 110.9° |
| C9 | C10 | H19 | 110.7° | 110.5° |
| C9 | C10 | H20 | 110.7° | 110.5° |
| C9 | C8 | C12 | 107.0° | 104.2° |
| C9 | C8 | N | 113.0° | 110.5° |
| C9 | C8 | H3 | 108.0° | 110.6° |
| C8 | C9 | H4 | 110.4° | 110.7° |
| C8 | C9 | H5 | 110.4° | 110.7° |
| C12 | C8 | N | 112.4° | 110.5° |
| C12 | C8 | H3 | 108.2° | 110.5° |
| C8 | C12 | H15 | 111.0° | 110.0° |
| C8 | C12 | H16 | 111.0° | 110.1° |
| C8 | N | C7 | 110.0° | 111.0° |
| N | C8 | H3 | 108.1° | 110.4° |
| C8 | N | H13 | 109.3° | 111.0° |
| O1 | C6 | C5 | 116.9° | 120.1° |
| O1 | C6 | C1 | 123.0° | 120.1° |
| C6 | O1 | H6 | 109.5° | 114.1° |
| N | C7 | C5 | 112.0° | 109.5° |
| N | C7 | H1 | 108.8° | 109.4° |
| N | C7 | H2 | 108.8° | 109.5° |
| C7 | N | H13 | 109.3° | 111.0° |
| C7 | C5 | C6 | 119.3° | 120.0° |
| C7 | C5 | C4 | 122.2° | 120.0° |
| C5 | C7 | H1 | 108.9° | 109.5° |
| C5 | C7 | H2 | 108.8° | 109.5° |
| C | O | C1 | 112.7° | 117.0° |
| O | C | H10 | 109.5° | 109.5° |
| O | C | H11 | 109.5° | 109.5° |
| O | C | H12 | 109.5° | 109.5° |
| C5 | C6 | C1 | 120.0° | 119.8° |
| C6 | C5 | C4 | 118.4° | 120.0° |
| C6 | C1 | O | 114.2° | 120.0° |
| C6 | C1 | C2 | 121.7° | 119.9° |
| C5 | C4 | C3 | 120.9° | 120.1° |
| C5 | C4 | H7 | 119.6° | 119.9° |
| O | C1 | C2 | 124.1° | 120.1° |
| C1 | C2 | C3 | 118.3° | 120.0° |
| C1 | C2 | H9 | 120.8° | 120.0° |
| C4 | C3 | C2 | 120.6° | 120.2° |
| C3 | C4 | H7 | 119.5° | 119.9° |
| C4 | C3 | H8 | 119.7° | 119.9° |
| C2 | C3 | H8 | 119.7° | 119.9° |
| C3 | C2 | H9 | 120.9° | 120.1° |
| H1 | C7 | H2 | 109.5° | 109.4° |
| H4 | C9 | H5 | 109.5° | 110.7° |
| H10 | C | H11 | 109.4° | 109.4° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 110.0° |
| H17 | C11 | H18 | 109.5° | 110.0° |
| H19 | C10 | H20 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H17 | 119.1° | 119.3° |
| C10 | C11 | C12 | H18 | 119.1° | 119.3° |
| C11 | C10 | C9 | H19 | 119.2° | 118.7° |
| C11 | C10 | C9 | H20 | 119.2° | 118.6° |
| C11 | C10 | C9 | C8 | 21.5° | 37.9° |
| C10 | C11 | C12 | C8 | 38.8° | 0.0° |
| C11 | C10 | C9 | H4 | 140.9° | 156.2° |
| C11 | C10 | C9 | H5 | 97.9° | 80.4° |
| C10 | C11 | C12 | H15 | 157.7° | 119.3° |
| C10 | C11 | C12 | H16 | 80.2° | 119.3° |
| C10 | C11 | H17 | H18 | 122.6° | 121.4° |
| C11 | C10 | H19 | H20 | 122.3° | 122.6° |
| C12 | C11 | C10 | C9 | 37.7° | 23.6° |
| C11 | C12 | C8 | C9 | 25.3° | 23.6° |
| C11 | C12 | C8 | H15 | 119.0° | 119.3° |
| C11 | C12 | C8 | H16 | 119.0° | 119.3° |
| C11 | C12 | C8 | N | 149.9° | 142.3° |
| C11 | C12 | C8 | H3 | 90.8° | 95.2° |
| C11 | C12 | H15 | H16 | 123.0° | 121.5° |
| C12 | C11 | H17 | H18 | 122.5° | 121.4° |
| C12 | C11 | C10 | H19 | 81.5° | 95.0° |
| C12 | C11 | C10 | H20 | 156.9° | 142.3° |
| C10 | C9 | C8 | H4 | 119.4° | 118.2° |
| C10 | C9 | C8 | H5 | 119.4° | 118.5° |
| C10 | C9 | C8 | C12 | 2.5° | 38.0° |
| C10 | C9 | C8 | N | 126.7° | 156.7° |
| C10 | C9 | C8 | H3 | 113.8° | 80.8° |
| C10 | C9 | H4 | H5 | 121.8° | 123.5° |
| C9 | C10 | C11 | H17 | 81.5° | 95.7° |
| C9 | C10 | C11 | H18 | 156.8° | 142.9° |
| C9 | C10 | H19 | H20 | 122.3° | 122.6° |
| C9 | C8 | C12 | N | 124.6° | 118.7° |
| C9 | C8 | C12 | H3 | 116.2° | 118.8° |
| C9 | C8 | N | H3 | 119.5° | 122.6° |
| C9 | C8 | N | C7 | 118.1° | 90.2° |
| C8 | C9 | H4 | H5 | 121.8° | 123.3° |
| C9 | C8 | N | H13 | 121.8° | 145.9° |
| C9 | C8 | C12 | H15 | 144.3° | 95.7° |
| C9 | C8 | C12 | H16 | 93.7° | 143.0° |
| C8 | C9 | C10 | H19 | 97.8° | 80.7° |
| C8 | C9 | C10 | H20 | 140.7° | 156.6° |
| C12 | C8 | N | H3 | 119.3° | 122.5° |
| C12 | C8 | N | C7 | 120.7° | 155.0° |
| C12 | C8 | C9 | H4 | 116.9° | 156.2° |
| C12 | C8 | C9 | H5 | 121.9° | 80.6° |
| C12 | C8 | N | H13 | 0.6° | 31.0° |
| C8 | C12 | H15 | H16 | 122.9° | 121.4° |
| C8 | C12 | C11 | H17 | 80.4° | 119.3° |
| C8 | C12 | C11 | H18 | 157.9° | 119.3° |
| C8 | N | C7 | H13 | 120.1° | 123.9° |
| C8 | N | C7 | C5 | 169.0° | 180.0° |
| C8 | N | C7 | H1 | 48.6° | 60.0° |
| C8 | N | C7 | H2 | 70.7° | 59.9° |
| N | C8 | C9 | H4 | 7.3° | 85.1° |
| N | C8 | C9 | H5 | 113.9° | 38.2° |
| N | C8 | C12 | H15 | 91.1° | 23.1° |
| N | C8 | C12 | H16 | 30.9° | 98.3° |
| O1 | C6 | C5 | C7 | 0.6° | 0.0° |
| O1 | C6 | C5 | C1 | 177.0° | 179.9° |
| O1 | C6 | C5 | C4 | 176.8° | 180.0° |
| O1 | C6 | C1 | O | 4.2° | 0.3° |
| O1 | C6 | C1 | C2 | 175.9° | 180.0° |
| N | C7 | C5 | H1 | 120.4° | 120.0° |
| N | C7 | C5 | H2 | 120.4° | 120.1° |
| N | C7 | C5 | C6 | 134.4° | 80.0° |
| N | C7 | C5 | C4 | 48.3° | 100.0° |
| N | C7 | H1 | H2 | 118.8° | 120.0° |
| C7 | N | C8 | H3 | 1.3° | 32.5° |
| C7 | C5 | C6 | C4 | 177.4° | 180.0° |
| C7 | C5 | C6 | C1 | 177.6° | 180.0° |
| C7 | C5 | C4 | C3 | 176.7° | 180.0° |
| C5 | C7 | H1 | H2 | 118.8° | 120.0° |
| C7 | C5 | C4 | H7 | 3.3° | 0.0° |
| C5 | C7 | N | H13 | 70.9° | 56.1° |
| C | O | C1 | C6 | 63.4° | 179.7° |
| C | O | C1 | C2 | 116.7° | 0.0° |
| O | C | H10 | H11 | 120.0° | 119.9° |
| O | C | H10 | H12 | 120.0° | 120.1° |
| O | C | H11 | H12 | 120.0° | 120.1° |
| C5 | C6 | C1 | O | 179.0° | 179.7° |
| C5 | C6 | C1 | C2 | 0.9° | 0.0° |
| C6 | C5 | C4 | C3 | 0.6° | 0.0° |
| C6 | C5 | C7 | H1 | 14.1° | 160.0° |
| C6 | C5 | C7 | H2 | 105.2° | 40.0° |
| C5 | C6 | O1 | H6 | 180.0° | 90.0° |
| C6 | C5 | C4 | H7 | 179.4° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C1 | O | C2 | 179.9° | 179.7° |
| C6 | C1 | C2 | C3 | 0.8° | 0.0° |
| C1 | C6 | O1 | H6 | 3.0° | 89.9° |
| C6 | C1 | C2 | H9 | 179.2° | 180.0° |
| C5 | C4 | C3 | H7 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.1° |
| C4 | C5 | C7 | H1 | 168.6° | 20.0° |
| C4 | C5 | C7 | H2 | 72.1° | 140.0° |
| C5 | C4 | C3 | H8 | 179.2° | 179.9° |
| O | C1 | C2 | C3 | 179.1° | 179.7° |
| O | C1 | C2 | H9 | 0.9° | 0.3° |
| C1 | O | C | H10 | 180.0° | 180.0° |
| C1 | O | C | H11 | 60.0° | 60.0° |
| C1 | O | C | H12 | 60.0° | 60.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | H8 | 179.9° | 179.9° |
| C4 | C3 | C2 | H8 | 180.0° | 179.9° |
| C4 | C3 | C2 | H9 | 179.9° | 180.0° |
| C2 | C3 | C4 | H7 | 179.2° | 180.0° |
| H1 | C7 | N | H13 | 168.7° | 63.9° |
| H2 | C7 | N | H13 | 49.4° | 176.1° |
| H3 | C8 | C9 | H4 | 126.8° | 37.4° |
| H3 | C8 | C9 | H5 | 5.6° | 160.7° |
| H3 | C8 | N | H13 | 118.7° | 91.5° |
| H3 | C8 | C12 | H15 | 28.1° | 145.5° |
| H3 | C8 | C12 | H16 | 150.2° | 24.1° |
| H4 | C9 | C10 | H19 | 21.6° | 37.5° |
| H4 | C9 | C10 | H20 | 99.9° | 85.2° |
| H5 | C9 | C10 | H19 | 142.8° | 160.9° |
| H5 | C9 | C10 | H20 | 21.3° | 38.2° |
| H7 | C4 | C3 | H8 | 0.8° | 0.1° |
| H8 | C3 | C2 | H9 | 0.1° | 0.1° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
| H15 | C12 | C11 | H17 | 38.6° | 0.0° |
| H15 | C12 | C11 | H18 | 83.1° | 121.4° |
| H16 | C12 | C11 | H17 | 160.7° | 121.4° |
| H16 | C12 | C11 | H18 | 38.9° | 0.0° |
| H17 | C11 | C10 | H19 | 159.3° | 145.6° |
| H17 | C11 | C10 | H20 | 37.8° | 22.9° |
| H18 | C11 | C10 | H19 | 37.5° | 24.3° |
| H18 | C11 | C10 | H20 | 84.0° | 98.4° |
