36V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | N22 | doub | 1.22Å | 1.22Å | |
| O13 | C12 | doub | 1.21Å | 1.20Å | |
| S15 | C11 | sing | 1.81Å | 1.81Å | |
| S15 | C16 | sing | 1.76Å | 1.78Å | |
| C12 | C14 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.49Å | |
| C14 | C7 | sing | 1.53Å | 1.54Å | |
| C11 | C9 | sing | 1.52Å | 1.49Å | |
| N22 | O23 | sing | 1.22Å | 1.22Å | |
| N22 | C21 | sing | 1.48Å | 1.48Å | |
| C9 | O10 | doub | 1.21Å | 1.21Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C16 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C4 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | N22 | O23 | 119.8° | 120.0° |
| O24 | N22 | C21 | 120.3° | 120.0° |
| O13 | C12 | C14 | 121.2° | 120.9° |
| O13 | C12 | C11 | 119.6° | 121.0° |
| C11 | S15 | C16 | 101.4° | 103.0° |
| S15 | C11 | C12 | 121.0° | 109.9° |
| S15 | C11 | C9 | 118.7° | 109.8° |
| S15 | C11 | H5 | 93.4° | 109.8° |
| S15 | C16 | C21 | 122.0° | 120.1° |
| S15 | C16 | C17 | 118.9° | 120.1° |
| C14 | C12 | C11 | 119.1° | 118.1° |
| C12 | C14 | C7 | 111.8° | 109.0° |
| C12 | C14 | H1 | 108.9° | 109.5° |
| C12 | C14 | H2 | 108.9° | 109.6° |
| C12 | C11 | C9 | 118.9° | 107.5° |
| C12 | C11 | H5 | 94.1° | 109.9° |
| C14 | C7 | C8 | 108.6° | 109.6° |
| C14 | C7 | C4 | 110.3° | 109.4° |
| C7 | C14 | H1 | 108.9° | 109.6° |
| C7 | C14 | H2 | 108.9° | 109.6° |
| C14 | C7 | H6 | 108.0° | 109.5° |
| C11 | C9 | O10 | 118.6° | 121.0° |
| C11 | C9 | C8 | 118.8° | 118.0° |
| C9 | C11 | H5 | 94.1° | 109.9° |
| O23 | N22 | C21 | 119.9° | 120.0° |
| N22 | C21 | C16 | 121.4° | 120.1° |
| N22 | C21 | C20 | 118.1° | 120.1° |
| O10 | C9 | C8 | 122.6° | 120.9° |
| C9 | C8 | C7 | 113.5° | 109.0° |
| C9 | C8 | H7 | 108.4° | 109.5° |
| C9 | C8 | H8 | 108.4° | 109.7° |
| C21 | C16 | C17 | 119.2° | 119.8° |
| C16 | C21 | C20 | 120.4° | 119.9° |
| C16 | C17 | C18 | 120.1° | 119.9° |
| C16 | C17 | H12 | 119.9° | 120.0° |
| C21 | C20 | C19 | 119.8° | 120.1° |
| C21 | C20 | H15 | 120.1° | 119.9° |
| C8 | C7 | C4 | 113.7° | 109.5° |
| C8 | C7 | H6 | 107.9° | 109.4° |
| C7 | C8 | H7 | 108.4° | 109.5° |
| C7 | C8 | H8 | 108.5° | 109.5° |
| C7 | C4 | C5 | 120.5° | 120.0° |
| C7 | C4 | C3 | 121.6° | 120.0° |
| C4 | C7 | H6 | 108.1° | 109.4° |
| C17 | C18 | C19 | 120.0° | 120.1° |
| C18 | C17 | H12 | 120.0° | 120.1° |
| C17 | C18 | H13 | 120.0° | 120.0° |
| C20 | C19 | C18 | 120.5° | 120.1° |
| C20 | C19 | H14 | 119.7° | 119.9° |
| C19 | C20 | H15 | 120.1° | 119.9° |
| C5 | C4 | C3 | 118.0° | 120.0° |
| C4 | C5 | C6 | 121.6° | 120.0° |
| C4 | C5 | H3 | 119.2° | 120.0° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C4 | C3 | H9 | 119.6° | 120.0° |
| C5 | C6 | C1 | 119.5° | 120.0° |
| C6 | C5 | H3 | 119.2° | 120.0° |
| C5 | C6 | H4 | 120.3° | 120.0° |
| C19 | C18 | H13 | 120.0° | 119.9° |
| C18 | C19 | H14 | 119.7° | 119.9° |
| C3 | C2 | C1 | 120.3° | 120.0° |
| C2 | C3 | H9 | 119.6° | 120.0° |
| C3 | C2 | H11 | 119.8° | 120.0° |
| C6 | C1 | C2 | 119.8° | 120.0° |
| C1 | C6 | H4 | 120.3° | 120.0° |
| C6 | C1 | H10 | 120.1° | 120.0° |
| C2 | C1 | H10 | 120.1° | 120.0° |
| C1 | C2 | H11 | 119.9° | 120.1° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | N22 | O23 | C21 | 179.5° | 180.0° |
| O24 | N22 | C21 | C16 | 23.8° | 0.1° |
| O24 | N22 | C21 | C20 | 156.2° | 179.7° |
| O13 | C12 | C11 | S15 | 4.8° | 14.0° |
| O13 | C12 | C14 | C11 | 179.7° | 180.0° |
| O13 | C12 | C14 | C7 | 151.8° | 125.2° |
| O13 | C12 | C11 | C9 | 171.3° | 133.5° |
| O13 | C12 | C14 | H1 | 87.9° | 114.9° |
| O13 | C12 | C14 | H2 | 31.4° | 5.3° |
| O13 | C12 | C11 | H5 | 91.7° | 106.9° |
| S15 | C11 | C12 | C14 | 175.6° | 166.0° |
| S15 | C11 | C12 | C9 | 166.5° | 119.5° |
| S15 | C11 | C12 | H5 | 96.5° | 121.0° |
| S15 | C11 | C9 | H5 | 96.1° | 120.9° |
| S15 | C11 | C9 | O10 | 1.0° | 13.9° |
| S15 | C11 | C9 | C8 | 179.4° | 166.0° |
| C11 | S15 | C16 | C21 | 165.3° | 180.0° |
| C11 | S15 | C16 | C17 | 15.2° | 0.3° |
| C16 | S15 | C11 | C12 | 97.9° | 67.0° |
| C16 | S15 | C11 | C9 | 95.6° | 175.0° |
| S15 | C16 | C21 | N22 | 0.4° | 0.0° |
| S15 | C16 | C21 | C17 | 179.5° | 179.7° |
| S15 | C16 | C21 | C20 | 179.6° | 179.6° |
| S15 | C16 | C17 | C18 | 179.5° | 180.0° |
| C16 | S15 | C11 | H5 | 1.0° | 54.0° |
| S15 | C16 | C17 | H12 | 0.5° | 0.0° |
| C12 | C14 | C7 | H1 | 120.4° | 119.8° |
| C12 | C14 | C7 | H2 | 120.4° | 119.9° |
| C14 | C12 | C11 | C9 | 9.1° | 46.5° |
| C12 | C14 | C7 | C8 | 58.7° | 58.3° |
| C12 | C14 | C7 | C4 | 66.5° | 178.4° |
| C12 | C14 | H1 | H2 | 119.0° | 120.2° |
| C14 | C12 | C11 | H5 | 88.0° | 73.1° |
| C12 | C14 | C7 | H6 | 175.5° | 61.7° |
| C11 | C12 | C14 | C7 | 27.9° | 54.8° |
| C12 | C11 | C9 | H5 | 97.0° | 119.6° |
| C12 | C11 | C9 | O10 | 167.8° | 133.5° |
| C12 | C11 | C9 | C8 | 13.8° | 46.4° |
| C11 | C12 | C14 | H1 | 92.4° | 65.1° |
| C11 | C12 | C14 | H2 | 148.2° | 174.7° |
| C14 | C7 | C8 | C9 | 54.6° | 58.3° |
| C14 | C7 | C8 | C4 | 123.2° | 120.0° |
| C14 | C7 | C8 | H6 | 116.9° | 120.1° |
| C14 | C7 | C4 | H6 | 117.9° | 119.9° |
| C14 | C7 | C4 | C5 | 34.4° | 120.0° |
| C14 | C7 | C4 | C3 | 145.6° | 60.3° |
| C7 | C14 | H1 | H2 | 118.9° | 120.3° |
| C14 | C7 | C8 | H7 | 175.1° | 178.2° |
| C14 | C7 | C8 | H8 | 66.0° | 61.7° |
| C11 | C9 | O10 | C8 | 178.4° | 179.9° |
| C11 | C9 | C8 | C7 | 18.9° | 54.8° |
| C11 | C9 | C8 | H7 | 139.5° | 174.6° |
| C11 | C9 | C8 | H8 | 101.7° | 65.2° |
| O23 | N22 | C21 | C16 | 155.7° | 180.0° |
| O23 | N22 | C21 | C20 | 24.3° | 0.4° |
| N22 | C21 | C16 | C20 | 180.0° | 179.6° |
| N22 | C21 | C16 | C17 | 179.1° | 179.8° |
| N22 | C21 | C20 | C19 | 179.8° | 179.8° |
| N22 | C21 | C20 | H15 | 0.2° | 0.1° |
| O10 | C9 | C8 | C7 | 159.5° | 125.2° |
| O10 | C9 | C11 | H5 | 95.1° | 107.0° |
| O10 | C9 | C8 | H7 | 38.9° | 5.3° |
| O10 | C9 | C8 | H8 | 79.9° | 114.9° |
| C9 | C8 | C7 | H7 | 120.6° | 119.8° |
| C9 | C8 | C7 | H8 | 120.6° | 120.0° |
| C9 | C8 | C7 | C4 | 68.7° | 178.3° |
| C8 | C9 | C11 | H5 | 83.3° | 73.1° |
| C9 | C8 | C7 | H6 | 171.4° | 61.7° |
| C9 | C8 | H7 | H8 | 118.1° | 120.3° |
| C21 | C16 | C17 | C18 | 1.0° | 0.3° |
| C16 | C21 | C20 | C19 | 0.2° | 0.6° |
| C21 | C16 | C17 | H12 | 179.0° | 179.8° |
| C16 | C21 | C20 | H15 | 179.8° | 179.7° |
| C17 | C16 | C21 | C20 | 0.9° | 0.6° |
| C16 | C17 | C18 | H12 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | C18 | H13 | 179.5° | 180.0° |
| C21 | C20 | C19 | H15 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.3° | 0.3° |
| C21 | C20 | C19 | H14 | 179.6° | 179.7° |
| C8 | C7 | C4 | H6 | 119.8° | 119.9° |
| C8 | C7 | C4 | C5 | 156.7° | 119.8° |
| C8 | C7 | C4 | C3 | 23.3° | 59.8° |
| C8 | C7 | C14 | H1 | 61.7° | 61.5° |
| C8 | C7 | C14 | H2 | 179.1° | 178.3° |
| C7 | C8 | H7 | H8 | 118.2° | 120.2° |
| C7 | C4 | C5 | C3 | 180.0° | 179.6° |
| C7 | C4 | C5 | C6 | 179.5° | 179.7° |
| C7 | C4 | C3 | C2 | 180.0° | 179.7° |
| C4 | C7 | C14 | H1 | 173.1° | 58.5° |
| C4 | C7 | C14 | H2 | 53.8° | 61.7° |
| C7 | C4 | C5 | H3 | 0.5° | 0.3° |
| C4 | C7 | C8 | H7 | 51.9° | 61.8° |
| C4 | C7 | C8 | H8 | 170.8° | 58.3° |
| C7 | C4 | C3 | H9 | 0.1° | 0.4° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C18 | C19 | H13 | 180.0° | 179.9° |
| C17 | C18 | C19 | H14 | 179.7° | 180.0° |
| C20 | C19 | C18 | H14 | 180.0° | 179.9° |
| C20 | C19 | C18 | H13 | 179.8° | 180.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | C1 | 0.7° | 0.0° |
| C4 | C5 | C6 | H4 | 179.3° | 180.0° |
| C5 | C4 | C7 | H6 | 83.6° | 0.1° |
| C5 | C4 | C3 | H9 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C4 | C3 | C2 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | C5 | H3 | 179.5° | 180.0° |
| C3 | C4 | C7 | H6 | 96.5° | 179.8° |
| C4 | C3 | C2 | H11 | 179.8° | 179.9° |
| C5 | C6 | C1 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.4° | 0.1° |
| C5 | C6 | C1 | H10 | 179.6° | 180.0° |
| C19 | C18 | C17 | H12 | 179.6° | 179.9° |
| C18 | C19 | C20 | H15 | 179.6° | 180.0° |
| C3 | C2 | C1 | C6 | 0.0° | 0.1° |
| C3 | C2 | C1 | H11 | 180.0° | 179.8° |
| C3 | C2 | C1 | H10 | 180.0° | 180.0° |
| C6 | C1 | C2 | H10 | 180.0° | 179.9° |
| C1 | C6 | C5 | H3 | 179.3° | 180.0° |
| C6 | C1 | C2 | H11 | 180.0° | 180.0° |
| C2 | C1 | C6 | H4 | 179.6° | 179.9° |
| C1 | C2 | C3 | H9 | 179.8° | 179.9° |
| H1 | C14 | C7 | H6 | 55.2° | 178.4° |
| H2 | C14 | C7 | H6 | 64.1° | 58.2° |
| H3 | C5 | C6 | H4 | 0.7° | 0.0° |
| H4 | C6 | C1 | H10 | 0.4° | 0.0° |
| H6 | C7 | C8 | H7 | 68.0° | 58.1° |
| H6 | C7 | C8 | H8 | 50.9° | 178.3° |
| H9 | C3 | C2 | H11 | 0.2° | 0.1° |
| H10 | C1 | C2 | H11 | 0.0° | 0.1° |
| H12 | C17 | C18 | H13 | 0.4° | 0.0° |
| H13 | C18 | C19 | H14 | 0.2° | 0.1° |
| H14 | C19 | C20 | H15 | 0.4° | 0.0° |
