WVW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | S01 | doub | 1.42Å | 1.45Å | |
| C12 | C10 | sing | 1.55Å | 1.50Å | |
| C12 | C13 | sing | 1.54Å | 1.34Å | |
| N02 | S01 | sing | 1.66Å | 1.69Å | |
| S01 | C17 | sing | 1.76Å | 1.80Å | |
| S01 | O03 | doub | 1.42Å | 1.44Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.54Å | 1.56Å | |
| C18 | C09 | doub | 1.39Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.50Å | |
| C09 | C08 | sing | 1.38Å | 1.34Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.34Å | Aromatic |
| C11 | C14 | sing | 1.54Å | 1.54Å | |
| C11 | C07 | sing | 1.52Å | 1.54Å | |
| C08 | C15 | doub | 1.39Å | 1.34Å | Aromatic |
| C08 | N01 | sing | 1.40Å | 1.25Å | |
| C16 | C15 | sing | 1.38Å | 1.34Å | Aromatic |
| C07 | N01 | sing | 1.47Å | 1.47Å | |
| C07 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | doub | 1.38Å | 1.33Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.35Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.33Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.33Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.35Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.35Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.36Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| O01 | H18 | sing | 0.97Å | 0.95Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | S01 | N02 | 89.8° | 106.4° |
| O02 | S01 | C17 | 117.5° | 106.4° |
| O02 | S01 | O03 | 121.0° | 123.2° |
| C10 | C12 | C13 | 110.3° | 106.5° |
| C12 | C10 | C09 | 113.9° | 107.8° |
| C12 | C10 | C11 | 100.1° | 103.9° |
| C12 | C10 | H7 | 109.7° | 111.4° |
| C10 | C12 | H9 | 109.3° | 110.0° |
| C10 | C12 | H10 | 109.2° | 110.1° |
| C12 | C13 | C14 | 108.7° | 106.6° |
| C13 | C12 | H9 | 109.3° | 110.1° |
| C13 | C12 | H10 | 109.3° | 110.1° |
| C12 | C13 | H11 | 109.6° | 110.0° |
| C12 | C13 | H12 | 109.6° | 110.0° |
| N02 | S01 | C17 | 115.0° | 107.2° |
| N02 | S01 | O03 | 88.2° | 106.4° |
| S01 | N02 | H19 | 109.5° | 120.0° |
| S01 | N02 | H20 | 109.5° | 120.0° |
| C17 | S01 | O03 | 116.5° | 106.4° |
| S01 | C17 | C18 | 123.7° | 119.9° |
| S01 | C17 | C16 | 117.9° | 119.9° |
| C09 | C10 | C11 | 114.3° | 111.9° |
| C10 | C09 | C18 | 123.0° | 118.2° |
| C10 | C09 | C08 | 119.6° | 122.5° |
| C09 | C10 | H7 | 109.4° | 110.8° |
| C10 | C11 | C14 | 106.7° | 103.5° |
| C10 | C11 | C07 | 113.0° | 111.3° |
| C11 | C10 | H7 | 109.0° | 110.9° |
| C10 | C11 | H8 | 104.8° | 110.3° |
| C09 | C18 | C17 | 122.3° | 120.5° |
| C18 | C09 | C08 | 117.4° | 119.2° |
| C09 | C18 | H17 | 118.9° | 119.7° |
| C18 | C17 | C16 | 118.5° | 120.2° |
| C17 | C18 | H17 | 118.8° | 119.8° |
| C13 | C14 | C11 | 96.8° | 104.0° |
| C14 | C13 | H11 | 109.7° | 110.0° |
| C14 | C13 | H12 | 109.7° | 110.1° |
| C13 | C14 | H13 | 112.6° | 110.5° |
| C13 | C14 | H14 | 112.5° | 110.6° |
| C09 | C08 | C15 | 121.0° | 120.3° |
| C09 | C08 | N01 | 123.0° | 120.6° |
| C17 | C16 | C15 | 119.8° | 119.8° |
| C17 | C16 | H16 | 120.1° | 120.1° |
| C14 | C11 | C07 | 120.9° | 110.7° |
| C14 | C11 | H8 | 105.0° | 110.2° |
| C11 | C14 | H13 | 112.5° | 110.5° |
| C11 | C14 | H14 | 112.5° | 110.5° |
| C11 | C07 | N01 | 114.9° | 109.1° |
| C11 | C07 | C05 | 123.8° | 109.6° |
| C11 | C07 | H5 | 100.1° | 109.6° |
| C07 | C11 | H8 | 105.0° | 110.7° |
| C15 | C08 | N01 | 116.0° | 119.1° |
| C08 | C15 | C16 | 121.1° | 120.0° |
| C08 | C15 | H15 | 119.5° | 120.0° |
| C08 | N01 | C07 | 126.3° | 118.1° |
| C08 | N01 | H6 | 105.1° | 120.9° |
| C16 | C15 | H15 | 119.5° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.1° |
| N01 | C07 | C05 | 111.9° | 109.5° |
| N01 | C07 | H5 | 100.6° | 109.6° |
| C07 | N01 | H6 | 105.1° | 121.0° |
| C07 | C05 | C06 | 116.6° | 119.9° |
| C07 | C05 | C04 | 126.7° | 120.0° |
| C05 | C07 | H5 | 100.1° | 109.5° |
| C06 | C05 | C04 | 116.4° | 120.2° |
| C05 | C06 | C01 | 121.9° | 120.0° |
| C05 | C06 | H4 | 119.1° | 120.0° |
| C05 | C04 | C03 | 121.4° | 120.0° |
| C05 | C04 | H3 | 119.3° | 120.0° |
| C06 | C01 | C02 | 122.7° | 119.9° |
| C06 | C01 | H1 | 118.6° | 120.0° |
| C01 | C06 | H4 | 119.1° | 120.0° |
| C01 | C02 | C03 | 116.1° | 119.9° |
| C01 | C02 | O01 | 119.2° | 120.1° |
| C02 | C01 | H1 | 118.6° | 120.0° |
| C04 | C03 | C02 | 121.5° | 120.0° |
| C04 | C03 | H2 | 119.2° | 120.0° |
| C03 | C04 | H3 | 119.3° | 120.0° |
| C03 | C02 | O01 | 124.8° | 120.0° |
| C02 | C03 | H2 | 119.2° | 120.0° |
| C02 | O01 | H18 | 109.5° | 114.0° |
| H9 | C12 | H10 | 109.5° | 110.0° |
| H11 | C13 | H12 | 109.5° | 110.1° |
| H13 | C14 | H14 | 109.5° | 110.5° |
| H19 | N02 | H20 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | S01 | N02 | C17 | 120.5° | 113.5° |
| O02 | S01 | N02 | O03 | 121.0° | 132.9° |
| O02 | S01 | C17 | O03 | 155.1° | 132.9° |
| O02 | S01 | C17 | C18 | 60.0° | 23.5° |
| O02 | S01 | C17 | C16 | 120.6° | 156.5° |
| O02 | S01 | N02 | H19 | 180.0° | 113.5° |
| O02 | S01 | N02 | H20 | 60.0° | 66.5° |
| C10 | C12 | C13 | H9 | 120.2° | 119.3° |
| C10 | C12 | C13 | H10 | 120.1° | 119.3° |
| C12 | C10 | C09 | C11 | 114.3° | 113.6° |
| C12 | C10 | C09 | H7 | 123.2° | 122.1° |
| C12 | C10 | C11 | H7 | 115.1° | 119.8° |
| C12 | C10 | C09 | C18 | 40.9° | 54.4° |
| C10 | C12 | C13 | C14 | 35.1° | 0.4° |
| C12 | C10 | C09 | C08 | 141.0° | 125.6° |
| C12 | C10 | C11 | C14 | 16.3° | 38.0° |
| C12 | C10 | C11 | C07 | 151.4° | 157.0° |
| C12 | C10 | C11 | H8 | 94.7° | 79.8° |
| C10 | C12 | H9 | H10 | 119.6° | 121.4° |
| C10 | C12 | C13 | H11 | 155.0° | 118.8° |
| C10 | C12 | C13 | H12 | 84.8° | 119.7° |
| C13 | C12 | C10 | C09 | 133.1° | 95.1° |
| C13 | C12 | C10 | C11 | 10.6° | 23.8° |
| C12 | C13 | C14 | H11 | 119.9° | 119.2° |
| C12 | C13 | C14 | H12 | 119.9° | 119.3° |
| C12 | C13 | C14 | C11 | 42.2° | 23.0° |
| C13 | C12 | C10 | H7 | 103.9° | 143.2° |
| C13 | C12 | H9 | H10 | 119.6° | 121.5° |
| C12 | C13 | H11 | H12 | 120.3° | 121.4° |
| C12 | C13 | C14 | H13 | 75.7° | 141.7° |
| C12 | C13 | C14 | H14 | 160.0° | 95.6° |
| N02 | S01 | C17 | O03 | 101.1° | 113.5° |
| N02 | S01 | C17 | C18 | 43.8° | 90.0° |
| N02 | S01 | C17 | C16 | 135.6° | 90.0° |
| S01 | N02 | H19 | H20 | 120.0° | 180.0° |
| S01 | C17 | C18 | C09 | 179.0° | 179.9° |
| S01 | C17 | C18 | C16 | 179.4° | 180.0° |
| S01 | C17 | C16 | C15 | 179.7° | 180.0° |
| S01 | C17 | C16 | H16 | 0.3° | 0.0° |
| S01 | C17 | C18 | H17 | 1.0° | 0.1° |
| C17 | S01 | N02 | H19 | 59.5° | 0.1° |
| C17 | S01 | N02 | H20 | 179.5° | 180.0° |
| O03 | S01 | C17 | C18 | 144.9° | 156.5° |
| O03 | S01 | C17 | C16 | 34.5° | 23.5° |
| O03 | S01 | N02 | H19 | 59.0° | 113.6° |
| O03 | S01 | N02 | H20 | 61.0° | 66.5° |
| C09 | C10 | C11 | H7 | 122.8° | 124.2° |
| C10 | C09 | C18 | C08 | 178.2° | 179.9° |
| C10 | C09 | C18 | C17 | 179.1° | 179.8° |
| C09 | C10 | C11 | C14 | 105.9° | 78.0° |
| C09 | C10 | C11 | C07 | 29.3° | 41.0° |
| C10 | C09 | C08 | C15 | 179.0° | 179.9° |
| C10 | C09 | C08 | N01 | 2.1° | 0.1° |
| C09 | C10 | C11 | H8 | 143.2° | 164.2° |
| C09 | C10 | C12 | H9 | 12.9° | 24.2° |
| C09 | C10 | C12 | H10 | 106.8° | 145.6° |
| C10 | C09 | C18 | H17 | 0.9° | 0.2° |
| C11 | C10 | C09 | C18 | 155.2° | 168.0° |
| C10 | C11 | C14 | C13 | 33.7° | 37.8° |
| C11 | C10 | C09 | C08 | 26.7° | 11.9° |
| C10 | C11 | C14 | C07 | 130.9° | 119.4° |
| C10 | C11 | C14 | H8 | 110.9° | 117.9° |
| C10 | C11 | C07 | H8 | 113.7° | 123.0° |
| C10 | C11 | C07 | N01 | 11.7° | 58.5° |
| C10 | C11 | C07 | C05 | 155.3° | 178.4° |
| C10 | C11 | C07 | H5 | 95.1° | 61.4° |
| C11 | C10 | C12 | H9 | 109.5° | 143.1° |
| C11 | C10 | C12 | H10 | 130.7° | 95.5° |
| C10 | C11 | C14 | H13 | 84.2° | 156.5° |
| C10 | C11 | C14 | H14 | 151.5° | 80.9° |
| C09 | C18 | C17 | H17 | 180.0° | 180.0° |
| C09 | C18 | C17 | C16 | 0.4° | 0.1° |
| C18 | C09 | C08 | C15 | 0.8° | 0.0° |
| C18 | C09 | C08 | N01 | 179.7° | 180.0° |
| C18 | C09 | C10 | H7 | 82.3° | 67.7° |
| C17 | C18 | C09 | C08 | 1.0° | 0.1° |
| C18 | C17 | C16 | C15 | 0.3° | 0.0° |
| C18 | C17 | C16 | H16 | 179.7° | 179.9° |
| C13 | C14 | C11 | H13 | 117.9° | 118.7° |
| C13 | C14 | C11 | H14 | 117.9° | 118.7° |
| C13 | C14 | C11 | C07 | 164.6° | 157.2° |
| C13 | C14 | C11 | H8 | 77.2° | 80.1° |
| C14 | C13 | C12 | H9 | 85.1° | 119.7° |
| C14 | C13 | C12 | H10 | 155.2° | 118.9° |
| C14 | C13 | H11 | H12 | 120.4° | 121.5° |
| C13 | C14 | H13 | H14 | 126.0° | 122.8° |
| C09 | C08 | C15 | N01 | 179.0° | 180.0° |
| C09 | C08 | C15 | C16 | 0.1° | 0.0° |
| C09 | C08 | N01 | C07 | 20.2° | 19.0° |
| C09 | C08 | N01 | H6 | 102.0° | 161.0° |
| C08 | C09 | C10 | H7 | 95.9° | 112.3° |
| C09 | C08 | C15 | H15 | 179.9° | 180.0° |
| C08 | C09 | C18 | H17 | 179.0° | 179.9° |
| C17 | C16 | C15 | C08 | 0.5° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | H15 | 179.5° | 179.9° |
| C16 | C17 | C18 | H17 | 179.6° | 179.9° |
| C14 | C11 | C07 | H8 | 118.2° | 122.5° |
| C14 | C11 | C07 | N01 | 116.4° | 56.0° |
| C14 | C11 | C07 | C05 | 27.2° | 63.9° |
| C14 | C11 | C07 | H5 | 136.8° | 175.9° |
| C14 | C11 | C10 | H7 | 131.3° | 157.8° |
| C11 | C14 | C13 | H11 | 162.0° | 142.2° |
| C11 | C14 | C13 | H12 | 77.7° | 96.3° |
| C11 | C14 | H13 | H14 | 125.9° | 122.6° |
| C11 | C07 | N01 | C08 | 14.1° | 48.1° |
| C11 | C07 | N01 | C05 | 148.0° | 119.9° |
| C11 | C07 | N01 | H5 | 106.5° | 120.0° |
| C11 | C07 | C05 | H5 | 109.5° | 120.2° |
| C11 | C07 | C05 | C06 | 66.0° | 100.4° |
| C11 | C07 | C05 | C04 | 120.4° | 80.1° |
| C11 | C07 | N01 | H6 | 108.2° | 131.9° |
| C07 | C11 | C10 | H7 | 93.5° | 83.2° |
| C07 | C11 | C14 | H13 | 46.7° | 84.2° |
| C07 | C11 | C14 | H14 | 77.6° | 38.5° |
| C08 | C15 | C16 | H15 | 180.0° | 179.9° |
| C15 | C08 | N01 | C07 | 158.8° | 161.0° |
| C15 | C08 | N01 | H6 | 79.0° | 19.1° |
| C08 | C15 | C16 | H16 | 179.5° | 180.0° |
| N01 | C08 | C15 | C16 | 179.1° | 180.0° |
| C08 | N01 | C07 | H6 | 122.2° | 180.0° |
| C08 | N01 | C07 | C05 | 133.9° | 167.9° |
| C08 | N01 | C07 | H5 | 120.5° | 71.9° |
| N01 | C08 | C15 | H15 | 0.9° | 0.1° |
| N01 | C07 | C05 | H5 | 105.9° | 120.2° |
| N01 | C07 | C05 | C06 | 149.4° | 140.0° |
| N01 | C07 | C05 | C04 | 24.2° | 39.4° |
| N01 | C07 | C11 | H8 | 125.4° | 178.5° |
| C07 | C05 | C06 | C04 | 174.3° | 179.4° |
| C07 | C05 | C06 | C01 | 176.8° | 180.0° |
| C07 | C05 | C04 | C03 | 175.8° | 179.8° |
| C07 | C05 | C04 | H3 | 4.2° | 0.3° |
| C07 | C05 | C06 | H4 | 3.2° | 0.5° |
| C05 | C07 | N01 | H6 | 103.9° | 12.0° |
| C05 | C07 | C11 | H8 | 90.9° | 58.6° |
| C05 | C06 | C01 | H4 | 180.0° | 179.4° |
| C05 | C06 | C01 | C02 | 1.8° | 0.5° |
| C06 | C05 | C04 | C03 | 2.2° | 0.3° |
| C05 | C06 | C01 | H1 | 178.3° | 179.7° |
| C06 | C05 | C04 | H3 | 177.9° | 179.7° |
| C06 | C05 | C07 | H5 | 43.5° | 19.8° |
| C04 | C05 | C06 | C01 | 2.5° | 0.6° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 1.0° | 0.0° |
| C05 | C04 | C03 | H2 | 178.9° | 179.9° |
| C04 | C05 | C06 | H4 | 177.5° | 180.0° |
| C04 | C05 | C07 | H5 | 130.1° | 159.6° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | C03 | 0.5° | 0.2° |
| C06 | C01 | C02 | O01 | 179.8° | 179.7° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | O01 | 179.7° | 180.0° |
| C01 | C02 | C03 | H2 | 179.8° | 180.0° |
| C02 | C01 | C06 | H4 | 178.2° | 180.0° |
| C01 | C02 | O01 | H18 | 180.0° | 90.0° |
| C04 | C03 | C02 | H2 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 179.9° | 180.0° |
| C03 | C02 | C01 | H1 | 179.5° | 180.0° |
| C02 | C03 | C04 | H3 | 179.0° | 180.0° |
| C03 | C02 | O01 | H18 | 0.3° | 90.0° |
| O01 | C02 | C01 | H1 | 0.2° | 0.0° |
| O01 | C02 | C03 | H2 | 0.1° | 0.0° |
| H1 | C01 | C06 | H4 | 1.7° | 0.3° |
| H2 | C03 | C04 | H3 | 1.1° | 0.0° |
| H5 | C07 | N01 | H6 | 1.7° | 108.1° |
| H5 | C07 | C11 | H8 | 18.6° | 61.6° |
| H7 | C10 | C11 | H8 | 20.4° | 40.0° |
| H7 | C10 | C12 | H9 | 135.9° | 97.5° |
| H7 | C10 | C12 | H10 | 16.2° | 23.9° |
| H8 | C11 | C14 | H13 | 164.9° | 38.6° |
| H8 | C11 | C14 | H14 | 40.6° | 161.2° |
| H9 | C12 | C13 | H11 | 34.8° | 0.4° |
| H9 | C12 | C13 | H12 | 155.1° | 121.0° |
| H10 | C12 | C13 | H11 | 84.9° | 121.9° |
| H10 | C12 | C13 | H12 | 35.3° | 0.4° |
| H11 | C13 | C14 | H13 | 44.2° | 99.1° |
| H11 | C13 | C14 | H14 | 80.1° | 23.6° |
| H12 | C13 | C14 | H13 | 164.5° | 22.4° |
| H12 | C13 | C14 | H14 | 40.2° | 145.1° |
| H15 | C15 | C16 | H16 | 0.5° | 0.1° |
