VHC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C27 | sing | 1.48Å | 1.41Å | |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.53Å | |
| C9 | O10 | doub | 1.22Å | 1.24Å | |
| C9 | N11 | sing | 1.38Å | 1.33Å | |
| N11 | C13 | sing | 1.48Å | 1.48Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | O16 | sing | 1.43Å | 1.44Å | |
| O16 | C17 | sing | 1.36Å | 1.36Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.37Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.41Å | 1.40Å | Aromatic |
| C22 | S23 | sing | 1.74Å | 1.78Å | |
| S23 | C24 | sing | 1.74Å | 1.76Å | |
| C24 | N25 | doub | 1.36Å | 1.33Å | Aromatic |
| C24 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| N25 | C29 | sing | 1.31Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | N28 | sing | 1.33Å | 1.35Å | Aromatic |
| N28 | C29 | doub | 1.31Å | 1.36Å | Aromatic |
| C29 | N30 | sing | 1.38Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N11 | HN11 | sing | 0.96Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| N30 | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 116.9° | 119.0° |
| C1 | C2 | C8 | 122.6° | 121.6° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.4° |
| C3 | C2 | C8 | 120.5° | 119.4° |
| C2 | C3 | C4 | 120.9° | 121.3° |
| C2 | C3 | H3 | 119.6° | 119.6° |
| C2 | C8 | C7 | 118.3° | 119.7° |
| C2 | C8 | C9 | 123.5° | 122.9° |
| C3 | C4 | C5 | 118.0° | 117.1° |
| C3 | C4 | C6 | 119.6° | 119.8° |
| C4 | C3 | H3 | 119.5° | 119.1° |
| C5 | C4 | C6 | 122.3° | 123.0° |
| C4 | C5 | H5 | 109.5° | 109.4° |
| C4 | C5 | H5A | 109.5° | 109.5° |
| C4 | C5 | H5B | 109.5° | 109.5° |
| C4 | C6 | C7 | 119.2° | 118.5° |
| C4 | C6 | C27 | 124.7° | 122.6° |
| C7 | C6 | C27 | 116.1° | 118.9° |
| C6 | C7 | C8 | 121.4° | 121.2° |
| C6 | C7 | H7 | 119.3° | 119.1° |
| C6 | C27 | C26 | 118.9° | 122.8° |
| C6 | C27 | N28 | 121.9° | 119.4° |
| C7 | C8 | C9 | 118.2° | 117.5° |
| C8 | C7 | H7 | 119.3° | 119.6° |
| C8 | C9 | O10 | 120.5° | 124.1° |
| C8 | C9 | N11 | 114.9° | 116.0° |
| O10 | C9 | N11 | 124.2° | 119.9° |
| C9 | N11 | C13 | 123.2° | 113.6° |
| C9 | N11 | HN11 | 118.4° | 123.1° |
| N11 | C13 | C14 | 113.0° | 106.8° |
| C13 | N11 | HN11 | 118.4° | 123.3° |
| N11 | C13 | H13 | 108.3° | 110.0° |
| N11 | C13 | H13A | 108.3° | 109.8° |
| C13 | C14 | C15 | 111.8° | 108.4° |
| C14 | C13 | H13 | 108.3° | 110.3° |
| C14 | C13 | H13A | 108.3° | 110.2° |
| C13 | C14 | H14 | 108.7° | 109.8° |
| C13 | C14 | H14A | 108.7° | 110.0° |
| C14 | C15 | O16 | 100.5° | 108.8° |
| C15 | C14 | H14 | 108.7° | 109.6° |
| C15 | C14 | H14A | 108.7° | 109.8° |
| C14 | C15 | H15 | 112.6° | 110.2° |
| C14 | C15 | H15A | 112.6° | 109.4° |
| C15 | O16 | C17 | 121.7° | 114.9° |
| O16 | C15 | H15 | 112.6° | 109.9° |
| O16 | C15 | H15A | 112.6° | 109.4° |
| O16 | C17 | C18 | 114.6° | 118.9° |
| O16 | C17 | C19 | 125.7° | 120.4° |
| C18 | C17 | C19 | 119.5° | 120.6° |
| C17 | C18 | C22 | 121.0° | 120.4° |
| C17 | C18 | H18 | 119.5° | 118.7° |
| C17 | C19 | C20 | 118.8° | 119.3° |
| C17 | C19 | H19 | 120.6° | 120.4° |
| C18 | C22 | C21 | 119.9° | 118.6° |
| C18 | C22 | S23 | 121.6° | 123.4° |
| C22 | C18 | H18 | 119.5° | 120.8° |
| C19 | C20 | C21 | 121.7° | 120.6° |
| C20 | C19 | H19 | 120.6° | 120.3° |
| C19 | C20 | H20 | 119.1° | 119.6° |
| C20 | C21 | C22 | 118.9° | 120.5° |
| C21 | C20 | H20 | 119.1° | 119.8° |
| C20 | C21 | H21 | 120.6° | 120.2° |
| C21 | C22 | S23 | 118.3° | 118.0° |
| C22 | C21 | H21 | 120.6° | 119.3° |
| C22 | S23 | C24 | 103.1° | 108.0° |
| S23 | C24 | N25 | 115.0° | 114.7° |
| S23 | C24 | C26 | 123.4° | 128.1° |
| N25 | C24 | C26 | 121.5° | 117.2° |
| C24 | N25 | C29 | 119.5° | 122.0° |
| C24 | C26 | C27 | 117.8° | 119.4° |
| C24 | C26 | H26 | 121.1° | 121.3° |
| N25 | C29 | N28 | 120.4° | 121.0° |
| N25 | C29 | N30 | 120.8° | 119.5° |
| C26 | C27 | N28 | 119.2° | 117.8° |
| C27 | C26 | H26 | 121.1° | 119.3° |
| C27 | N28 | C29 | 121.4° | 122.5° |
| N28 | C29 | N30 | 118.9° | 119.5° |
| C29 | N30 | HN30 | 109.5° | 120.0° |
| C29 | N30 | HN3A | 109.5° | 119.9° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.4° |
| H5 | C5 | H5B | 109.5° | 109.5° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| H13 | C13 | H13A | 110.6° | 109.7° |
| H14 | C14 | H14A | 110.3° | 109.3° |
| H15 | C15 | H15A | 106.2° | 109.2° |
| HN30 | N30 | HN3A | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C8 | 178.2° | 179.7° |
| C1 | C2 | C3 | C4 | 178.8° | 179.4° |
| C1 | C2 | C8 | C7 | 176.7° | 178.6° |
| C1 | C2 | C8 | C9 | 5.2° | 3.3° |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 119.9° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 1.1° | 0.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 179.7° | 179.2° |
| C2 | C3 | C4 | C6 | 2.0° | 0.5° |
| C3 | C2 | C8 | C7 | 1.4° | 1.7° |
| C3 | C2 | C8 | C9 | 176.7° | 176.3° |
| C3 | C2 | C1 | H1 | 89.2° | 89.9° |
| C3 | C2 | C1 | H1A | 150.8° | 150.0° |
| C3 | C2 | C1 | H1B | 30.8° | 30.0° |
| C8 | C2 | C3 | C4 | 0.6° | 0.9° |
| C2 | C8 | C7 | C6 | 2.0° | 1.1° |
| C2 | C8 | C7 | C9 | 178.2° | 178.1° |
| C2 | C8 | C9 | O10 | 42.0° | 24.5° |
| C2 | C8 | C9 | N11 | 145.2° | 154.3° |
| C8 | C2 | C1 | H1 | 88.9° | 90.4° |
| C8 | C2 | C1 | H1A | 31.0° | 29.6° |
| C8 | C2 | C1 | H1B | 151.1° | 149.7° |
| C8 | C2 | C3 | H3 | 179.3° | 179.0° |
| C2 | C8 | C7 | H7 | 178.0° | 178.9° |
| C3 | C4 | C5 | C6 | 177.6° | 179.7° |
| C3 | C4 | C6 | C7 | 1.3° | 1.1° |
| C3 | C4 | C6 | C27 | 176.4° | 178.3° |
| C3 | C4 | C5 | H5 | 91.1° | 90.1° |
| C3 | C4 | C5 | H5A | 148.9° | 150.0° |
| C3 | C4 | C5 | H5B | 28.9° | 30.0° |
| C5 | C4 | C6 | C7 | 178.9° | 178.5° |
| C5 | C4 | C6 | C27 | 1.2° | 2.1° |
| C5 | C4 | C3 | H3 | 0.3° | 0.8° |
| C4 | C5 | H5 | H5A | 120.0° | 120.0° |
| C4 | C5 | H5 | H5B | 120.0° | 120.0° |
| C4 | C5 | H5A | H5B | 120.0° | 120.0° |
| C4 | C6 | C7 | C27 | 177.9° | 179.5° |
| C4 | C6 | C7 | C8 | 0.7° | 0.4° |
| C4 | C6 | C27 | C26 | 122.7° | 168.6° |
| C4 | C6 | C27 | N28 | 59.8° | 11.8° |
| C6 | C4 | C3 | H3 | 178.0° | 179.6° |
| C6 | C4 | C5 | H5 | 91.3° | 89.6° |
| C6 | C4 | C5 | H5A | 28.7° | 30.4° |
| C6 | C4 | C5 | H5B | 148.7° | 150.4° |
| C4 | C6 | C7 | H7 | 179.3° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 176.2° | 177.1° |
| C7 | C6 | C27 | C26 | 55.0° | 12.0° |
| C7 | C6 | C27 | N28 | 122.5° | 167.7° |
| C27 | C6 | C7 | C8 | 178.6° | 179.1° |
| C6 | C27 | C26 | C24 | 173.2° | 178.2° |
| C6 | C27 | C26 | N28 | 177.5° | 179.7° |
| C6 | C27 | N28 | C29 | 177.3° | 179.0° |
| C27 | C6 | C7 | H7 | 1.4° | 0.9° |
| C6 | C27 | C26 | H26 | 6.8° | 4.9° |
| C7 | C8 | C9 | O10 | 136.1° | 153.6° |
| C7 | C8 | C9 | N11 | 36.7° | 27.6° |
| C8 | C9 | O10 | N11 | 172.1° | 178.7° |
| C8 | C9 | N11 | C13 | 179.6° | 179.0° |
| C9 | C8 | C7 | H7 | 3.8° | 3.0° |
| C8 | C9 | N11 | HN11 | 0.4° | 1.8° |
| O10 | C9 | N11 | C13 | 7.1° | 2.2° |
| O10 | C9 | N11 | HN11 | 172.9° | 177.0° |
| C9 | N11 | C13 | HN11 | 180.0° | 179.2° |
| C9 | N11 | C13 | C14 | 143.3° | 160.6° |
| C9 | N11 | C13 | H13 | 23.3° | 40.9° |
| C9 | N11 | C13 | H13A | 96.7° | 79.9° |
| N11 | C13 | C14 | H13 | 120.0° | 119.6° |
| N11 | C13 | C14 | H13A | 120.0° | 119.2° |
| N11 | C13 | C14 | C15 | 67.8° | 37.8° |
| N11 | C13 | H13 | H13A | 118.6° | 120.9° |
| N11 | C13 | C14 | H14 | 52.2° | 157.4° |
| N11 | C13 | C14 | H14A | 172.2° | 82.3° |
| C13 | C14 | C15 | H14 | 120.0° | 119.8° |
| C13 | C14 | C15 | H14A | 120.0° | 120.2° |
| C13 | C14 | C15 | O16 | 80.9° | 112.7° |
| C14 | C13 | N11 | HN11 | 36.7° | 20.2° |
| C14 | C13 | H13 | H13A | 118.6° | 121.5° |
| C13 | C14 | H14 | H14A | 119.0° | 120.8° |
| C13 | C14 | C15 | H15 | 159.1° | 7.8° |
| C13 | C14 | C15 | H15A | 39.1° | 127.9° |
| C14 | C15 | O16 | H15 | 120.0° | 120.7° |
| C14 | C15 | O16 | H15A | 120.0° | 119.4° |
| C14 | C15 | O16 | C17 | 177.8° | 161.9° |
| C15 | C14 | C13 | H13 | 172.2° | 81.8° |
| C15 | C14 | C13 | H13A | 52.2° | 157.0° |
| C15 | C14 | H14 | H14A | 119.1° | 120.4° |
| C14 | C15 | H15 | H15A | 123.6° | 120.2° |
| C15 | O16 | C17 | C18 | 166.3° | 110.6° |
| C15 | O16 | C17 | C19 | 18.1° | 70.2° |
| O16 | C15 | C14 | H14 | 39.1° | 127.6° |
| O16 | C15 | C14 | H14A | 159.2° | 7.5° |
| O16 | C15 | H15 | H15A | 123.6° | 120.0° |
| O16 | C17 | C18 | C19 | 175.9° | 179.2° |
| O16 | C17 | C18 | C22 | 175.9° | 178.8° |
| O16 | C17 | C19 | C20 | 175.9° | 179.9° |
| C17 | O16 | C15 | H15 | 57.8° | 77.4° |
| C17 | O16 | C15 | H15A | 62.2° | 42.5° |
| O16 | C17 | C18 | H18 | 4.2° | 4.8° |
| O16 | C17 | C19 | H19 | 4.1° | 0.1° |
| C17 | C18 | C22 | H18 | 180.0° | 176.4° |
| C18 | C17 | C19 | C20 | 0.4° | 0.7° |
| C17 | C18 | C22 | C21 | 2.9° | 2.2° |
| C17 | C18 | C22 | S23 | 177.6° | 176.5° |
| C18 | C17 | C19 | H19 | 179.6° | 179.3° |
| C19 | C17 | C18 | C22 | 0.1° | 2.0° |
| C17 | C19 | C20 | H19 | 180.0° | 179.9° |
| C17 | C19 | C20 | C21 | 2.0° | 0.4° |
| C19 | C17 | C18 | H18 | 179.9° | 174.4° |
| C17 | C19 | C20 | H20 | 178.0° | 179.5° |
| C18 | C22 | C21 | C20 | 5.2° | 1.1° |
| C18 | C22 | C21 | S23 | 174.9° | 178.8° |
| C18 | C22 | S23 | C24 | 39.3° | 14.5° |
| C18 | C22 | C21 | H21 | 174.8° | 178.7° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 4.8° | 0.2° |
| C19 | C20 | C21 | H21 | 175.2° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.8° |
| C20 | C21 | C22 | S23 | 179.9° | 177.7° |
| C21 | C20 | C19 | H19 | 178.0° | 179.6° |
| C21 | C22 | S23 | C24 | 145.9° | 164.2° |
| C21 | C22 | C18 | H18 | 177.0° | 174.2° |
| C22 | C21 | C20 | H20 | 175.2° | 179.8° |
| C22 | S23 | C24 | N25 | 158.9° | 166.9° |
| C22 | S23 | C24 | C26 | 22.8° | 16.2° |
| S23 | C22 | C18 | H18 | 2.4° | 7.1° |
| S23 | C22 | C21 | H21 | 0.1° | 2.5° |
| S23 | C24 | N25 | C26 | 178.4° | 177.3° |
| S23 | C24 | N25 | C29 | 177.8° | 179.0° |
| S23 | C24 | C26 | C27 | 175.5° | 179.3° |
| S23 | C24 | C26 | H26 | 4.6° | 3.9° |
| N25 | C24 | C26 | C27 | 6.3° | 3.8° |
| C24 | N25 | C29 | N28 | 0.6° | 1.1° |
| C24 | N25 | C29 | N30 | 177.9° | 179.0° |
| N25 | C24 | C26 | H26 | 173.7° | 173.0° |
| C26 | C24 | N25 | C29 | 3.8° | 3.7° |
| C24 | C26 | C27 | H26 | 180.0° | 176.9° |
| C24 | C26 | C27 | N28 | 4.4° | 1.5° |
| N25 | C29 | N28 | C27 | 2.4° | 1.6° |
| N25 | C29 | N28 | N30 | 178.5° | 180.0° |
| N25 | C29 | N30 | HN30 | 0.0° | 0.1° |
| N25 | C29 | N30 | HN3A | 120.0° | 180.0° |
| C26 | C27 | N28 | C29 | 0.2° | 1.3° |
| C27 | N28 | C29 | N30 | 176.1° | 178.4° |
| N28 | C27 | C26 | H26 | 175.6° | 175.4° |
| N28 | C29 | N30 | HN30 | 178.5° | 179.9° |
| N28 | C29 | N30 | HN3A | 58.5° | 0.1° |
| C29 | N30 | HN30 | HN3A | 120.0° | 179.9° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H5 | C5 | H5A | H5B | 120.0° | 120.0° |
| HN11 | N11 | C13 | H13 | 156.7° | 139.9° |
| HN11 | N11 | C13 | H13A | 83.3° | 99.3° |
| H13 | C13 | C14 | H14 | 67.8° | 37.9° |
| H13 | C13 | C14 | H14A | 52.2° | 158.2° |
| H13A | C13 | C14 | H14 | 172.2° | 83.3° |
| H13A | C13 | C14 | H14A | 67.8° | 36.9° |
| H14 | C14 | C15 | H15 | 80.9° | 111.9° |
| H14 | C14 | C15 | H15A | 159.1° | 8.2° |
| H14A | C14 | C15 | H15 | 39.1° | 128.0° |
| H14A | C14 | C15 | H15A | 80.9° | 111.9° |
| H19 | C19 | C20 | H20 | 2.0° | 0.4° |
| H20 | C20 | C21 | H21 | 4.8° | 0.1° |
