WWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.75Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | S1 | sing | 1.66Å | 1.59Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| O1 | S1 | doub | 1.42Å | 1.50Å | |
| S1 | O2 | doub | 1.42Å | 1.52Å | |
| C3 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| H3 | C3 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| N7 | C4 | sing | 1.40Å | 1.43Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| H5 | C5 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | N7 | sing | 1.35Å | 1.33Å | |
| HN7 | N7 | sing | 0.97Å | 1.00Å | |
| N9 | C8 | sing | 1.35Å | 1.35Å | |
| O8 | C8 | doub | 1.22Å | 1.23Å | |
| C10 | N9 | sing | 1.40Å | 1.39Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C15 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.51Å | 1.56Å | |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| H13 | C13 | sing | 1.08Å | 1.08Å | |
| H14 | C14 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| H15 | C15 | sing | 1.08Å | 1.08Å | |
| H16 | C16 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| H17B | C17 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| H18B | C18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.4° | 120.1° |
| C2 | C1 | S1 | 120.8° | 119.9° |
| C1 | C2 | C3 | 120.5° | 120.1° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C6 | C1 | S1 | 118.7° | 119.9° |
| C1 | C6 | C5 | 118.7° | 120.1° |
| C1 | C6 | H6 | 120.6° | 120.0° |
| C1 | S1 | N1 | 106.4° | 107.2° |
| C1 | S1 | O1 | 107.1° | 106.4° |
| C1 | S1 | O2 | 108.5° | 106.4° |
| HN1 | N1 | S1 | 109.5° | 120.0° |
| HN1 | N1 | HN1A | 109.4° | 120.1° |
| S1 | N1 | HN1A | 109.5° | 119.9° |
| N1 | S1 | O1 | 111.3° | 106.4° |
| N1 | S1 | O2 | 110.8° | 106.4° |
| O1 | S1 | O2 | 112.5° | 123.2° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.8° | 120.1° |
| C2 | C3 | C4 | 118.3° | 119.9° |
| H3 | C3 | C4 | 120.9° | 120.0° |
| C3 | C4 | N7 | 125.7° | 120.1° |
| C3 | C4 | C5 | 120.9° | 119.9° |
| N7 | C4 | C5 | 113.4° | 120.0° |
| C4 | N7 | C8 | 127.0° | 120.0° |
| C4 | N7 | HN7 | 116.5° | 120.0° |
| C4 | C5 | H5 | 119.5° | 120.1° |
| C4 | C5 | C6 | 121.1° | 119.9° |
| H5 | C5 | C6 | 119.4° | 120.0° |
| C5 | C6 | H6 | 120.6° | 120.0° |
| C8 | N7 | HN7 | 116.5° | 120.0° |
| N7 | C8 | N9 | 113.9° | 120.0° |
| N7 | C8 | O8 | 122.1° | 120.0° |
| N9 | C8 | O8 | 123.9° | 120.0° |
| C8 | N9 | C10 | 122.1° | 120.0° |
| C8 | N9 | HN9 | 119.0° | 120.0° |
| C10 | N9 | HN9 | 119.0° | 120.0° |
| N9 | C10 | C15 | 120.2° | 120.1° |
| N9 | C10 | C11 | 118.4° | 120.0° |
| C15 | C10 | C11 | 121.4° | 119.9° |
| C10 | C15 | C14 | 119.0° | 119.9° |
| C10 | C15 | H15 | 120.5° | 120.0° |
| C10 | C11 | C12 | 119.3° | 119.9° |
| C10 | C11 | C16 | 120.4° | 120.0° |
| C12 | C11 | C16 | 120.3° | 120.1° |
| C11 | C12 | C13 | 119.7° | 120.1° |
| C11 | C12 | H12 | 120.2° | 119.9° |
| C11 | C16 | H16 | 104.6° | 109.5° |
| C11 | C16 | C17 | 112.4° | 109.5° |
| C11 | C16 | C18 | 113.6° | 109.4° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C12 | C13 | C14 | 120.6° | 120.1° |
| C12 | C13 | H13 | 119.7° | 119.9° |
| C14 | C13 | H13 | 119.7° | 119.9° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| H14 | C14 | C15 | 120.0° | 119.9° |
| C14 | C15 | H15 | 120.5° | 120.1° |
| H16 | C16 | C17 | 108.6° | 109.5° |
| H16 | C16 | C18 | 107.2° | 109.5° |
| C17 | C16 | C18 | 110.0° | 109.5° |
| C16 | C17 | H17B | 109.5° | 109.5° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H17A | 109.4° | 109.5° |
| C16 | C18 | H18B | 109.5° | 109.4° |
| C16 | C18 | H18A | 109.5° | 109.5° |
| C16 | C18 | H18 | 109.4° | 109.5° |
| H17B | C17 | H17 | 109.5° | 109.5° |
| H17B | C17 | H17A | 109.4° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H18B | C18 | H18A | 109.5° | 109.5° |
| H18B | C18 | H18 | 109.5° | 109.5° |
| H18A | C18 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | S1 | 177.1° | 179.7° |
| C2 | C1 | S1 | N1 | 129.8° | 90.0° |
| C2 | C1 | S1 | O1 | 10.8° | 156.5° |
| C2 | C1 | S1 | O2 | 110.9° | 23.5° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 178.8° | 180.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C2 | C1 | C6 | C5 | 1.6° | 0.6° |
| C2 | C1 | C6 | H6 | 178.4° | 180.0° |
| C6 | C1 | S1 | N1 | 53.1° | 90.3° |
| C6 | C1 | S1 | O1 | 172.2° | 23.2° |
| C6 | C1 | S1 | O2 | 66.1° | 156.2° |
| C6 | C1 | C2 | C3 | 1.3° | 0.3° |
| C6 | C1 | C2 | H2 | 178.7° | 179.8° |
| C1 | C6 | C5 | C4 | 1.9° | 0.6° |
| C1 | C6 | C5 | H5 | 178.1° | 179.7° |
| C1 | C6 | C5 | H6 | 180.0° | 179.4° |
| C1 | S1 | N1 | HN1 | 180.0° | 0.0° |
| C1 | S1 | N1 | O1 | 116.3° | 113.5° |
| C1 | S1 | N1 | O2 | 117.7° | 113.5° |
| C1 | S1 | N1 | HN1A | 60.0° | 180.0° |
| C1 | S1 | O1 | O2 | 119.1° | 123.0° |
| S1 | C1 | C2 | C3 | 178.3° | 180.0° |
| S1 | C1 | C2 | H2 | 1.7° | 0.1° |
| S1 | C1 | C6 | C5 | 178.7° | 179.7° |
| S1 | C1 | C6 | H6 | 1.3° | 0.3° |
| HN1 | N1 | S1 | HN1A | 120.0° | 179.9° |
| HN1 | N1 | S1 | O1 | 63.7° | 113.5° |
| HN1 | N1 | S1 | O2 | 62.3° | 113.6° |
| N1 | S1 | O1 | O2 | 125.0° | 123.0° |
| HN1A | N1 | S1 | O1 | 56.3° | 66.5° |
| HN1A | N1 | S1 | O2 | 177.8° | 66.5° |
| C2 | C3 | H3 | C4 | 180.0° | 180.0° |
| C2 | C3 | C4 | N7 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| H2 | C2 | C3 | H3 | 1.2° | 0.0° |
| H2 | C2 | C3 | C4 | 178.8° | 180.0° |
| H3 | C3 | C4 | N7 | 1.4° | 0.1° |
| H3 | C3 | C4 | C5 | 178.5° | 180.0° |
| C3 | C4 | N7 | C5 | 179.9° | 179.9° |
| C3 | C4 | C5 | H5 | 178.2° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.3° |
| C3 | C4 | N7 | C8 | 5.5° | 33.4° |
| C3 | C4 | N7 | HN7 | 174.5° | 146.7° |
| N7 | C4 | C5 | H5 | 1.7° | 0.1° |
| N7 | C4 | C5 | C6 | 178.3° | 179.8° |
| C4 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C4 | N7 | C8 | N9 | 174.4° | 174.7° |
| C4 | N7 | C8 | O8 | 8.5° | 5.3° |
| C4 | C5 | H5 | C6 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 178.1° | 180.0° |
| C5 | C4 | N7 | C8 | 174.6° | 146.7° |
| C5 | C4 | N7 | HN7 | 5.4° | 33.3° |
| H5 | C5 | C6 | H6 | 1.9° | 0.3° |
| N7 | C8 | N9 | O8 | 177.0° | 180.0° |
| N7 | C8 | N9 | C10 | 175.4° | 174.6° |
| N7 | C8 | N9 | HN9 | 4.6° | 5.5° |
| HN7 | N7 | C8 | N9 | 5.6° | 5.3° |
| HN7 | N7 | C8 | O8 | 171.5° | 174.7° |
| C8 | N9 | C10 | HN9 | 180.0° | 179.9° |
| C8 | N9 | C10 | C15 | 66.1° | 22.7° |
| C8 | N9 | C10 | C11 | 113.4° | 157.0° |
| O8 | C8 | N9 | C10 | 7.6° | 5.4° |
| O8 | C8 | N9 | HN9 | 172.4° | 174.5° |
| N9 | C10 | C15 | C11 | 179.5° | 179.8° |
| N9 | C10 | C11 | C12 | 179.5° | 180.0° |
| N9 | C10 | C11 | C16 | 0.6° | 0.0° |
| N9 | C10 | C15 | C14 | 179.9° | 179.7° |
| N9 | C10 | C15 | H15 | 0.1° | 0.2° |
| HN9 | N9 | C10 | C15 | 113.9° | 157.4° |
| HN9 | N9 | C10 | C11 | 66.5° | 22.9° |
| C15 | C10 | C11 | C12 | 0.1° | 0.2° |
| C15 | C10 | C11 | C16 | 179.0° | 179.8° |
| C10 | C15 | C14 | C13 | 0.2° | 0.5° |
| C10 | C15 | C14 | H14 | 179.8° | 179.7° |
| C10 | C15 | C14 | H15 | 180.0° | 179.5° |
| C10 | C11 | C12 | C16 | 178.9° | 180.0° |
| C10 | C11 | C12 | C13 | 1.0° | 0.0° |
| C10 | C11 | C12 | H12 | 179.0° | 180.0° |
| C11 | C10 | C15 | C14 | 0.6° | 0.5° |
| C11 | C10 | C15 | H15 | 179.5° | 180.0° |
| C10 | C11 | C16 | H16 | 39.8° | 5.2° |
| C10 | C11 | C16 | C17 | 157.4° | 125.2° |
| C10 | C11 | C16 | C18 | 76.8° | 114.8° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.4° | 0.0° |
| C11 | C12 | C13 | H13 | 178.6° | 180.0° |
| C12 | C11 | C16 | H16 | 141.3° | 174.9° |
| C12 | C11 | C16 | C17 | 23.6° | 54.8° |
| C12 | C11 | C16 | C18 | 102.1° | 65.2° |
| C16 | C11 | C12 | C13 | 179.9° | 180.0° |
| C16 | C11 | C12 | H12 | 0.1° | 0.0° |
| C11 | C16 | H16 | C17 | 120.2° | 120.0° |
| C11 | C16 | H16 | C18 | 121.0° | 120.0° |
| C11 | C16 | C17 | C18 | 127.7° | 120.0° |
| C11 | C16 | C17 | H17B | 180.0° | 180.0° |
| C11 | C16 | C17 | H17 | 60.0° | 60.0° |
| C11 | C16 | C17 | H17A | 60.0° | 60.0° |
| C11 | C16 | C18 | H18B | 180.0° | 180.0° |
| C11 | C16 | C18 | H18A | 60.0° | 60.0° |
| C11 | C16 | C18 | H18 | 60.0° | 60.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 179.2° | 180.0° |
| C12 | C13 | C14 | C15 | 0.8° | 0.2° |
| H12 | C12 | C13 | C14 | 178.6° | 180.0° |
| H12 | C12 | C13 | H13 | 1.3° | 0.0° |
| C13 | C14 | H14 | C15 | 180.0° | 179.8° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| H13 | C13 | C14 | H14 | 0.8° | 0.1° |
| H13 | C13 | C14 | C15 | 179.3° | 179.8° |
| H14 | C14 | C15 | H15 | 0.2° | 0.2° |
| H16 | C16 | C17 | C18 | 117.1° | 120.0° |
| H16 | C16 | C17 | H17B | 64.8° | 60.0° |
| H16 | C16 | C17 | H17 | 55.2° | 60.0° |
| H16 | C16 | C17 | H17A | 175.3° | 180.0° |
| H16 | C16 | C18 | H18B | 64.9° | 60.0° |
| H16 | C16 | C18 | H18A | 175.0° | 60.0° |
| H16 | C16 | C18 | H18 | 55.1° | 180.0° |
| C16 | C17 | H17B | H17 | 120.0° | 120.0° |
| C16 | C17 | H17B | H17A | 120.0° | 120.0° |
| C16 | C17 | H17 | H17A | 120.0° | 120.0° |
| C17 | C16 | C18 | H18B | 53.0° | 60.0° |
| C17 | C16 | C18 | H18A | 67.0° | 180.0° |
| C17 | C16 | C18 | H18 | 173.1° | 60.0° |
| C18 | C16 | C17 | H17B | 52.3° | 60.0° |
| C18 | C16 | C17 | H17 | 172.3° | 180.0° |
| C18 | C16 | C17 | H17A | 67.6° | 60.0° |
| C16 | C18 | H18B | H18A | 120.0° | 120.0° |
| C16 | C18 | H18B | H18 | 120.0° | 120.0° |
| C16 | C18 | H18A | H18 | 119.9° | 120.0° |
| H17B | C17 | H17 | H17A | 120.0° | 120.0° |
| H18B | C18 | H18A | H18 | 120.0° | 120.0° |
