J0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | S23 | doub | 1.42Å | 1.51Å | |
| O24 | S23 | doub | 1.42Å | 1.51Å | |
| S23 | O26 | sing | 1.52Å | 1.51Å | |
| S23 | C03 | sing | 1.76Å | 1.83Å | |
| C03 | O04 | sing | 1.35Å | 1.37Å | Aromatic |
| C03 | C02 | doub | 1.35Å | 1.41Å | Aromatic |
| O04 | C05 | sing | 1.33Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C06 | sing | 1.45Å | 1.42Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.36Å | Aromatic |
| C05 | C12 | sing | 1.47Å | 1.45Å | |
| C06 | C07 | sing | 1.47Å | 1.49Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | O08 | doub | 1.21Å | 1.23Å | |
| C07 | C09 | sing | 1.51Å | 1.54Å | |
| C11 | C09 | sing | 1.48Å | 1.48Å | |
| C11 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.53Å | |
| C09 | O10 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| O26 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | S23 | O24 | 110.9° | 123.2° |
| O25 | S23 | O26 | 109.4° | 106.4° |
| O25 | S23 | C03 | 109.4° | 106.4° |
| O24 | S23 | O26 | 109.3° | 106.4° |
| O24 | S23 | C03 | 109.4° | 106.4° |
| O26 | S23 | C03 | 108.4° | 107.2° |
| S23 | O26 | H18 | 109.5° | 114.0° |
| S23 | C03 | O04 | 125.3° | 125.1° |
| S23 | C03 | C02 | 125.2° | 125.1° |
| O04 | C03 | C02 | 109.4° | 109.8° |
| C03 | O04 | C05 | 107.5° | 111.0° |
| C03 | C02 | C01 | 127.5° | 127.1° |
| C03 | C02 | C06 | 105.0° | 105.7° |
| O04 | C05 | C06 | 109.4° | 107.4° |
| O04 | C05 | C12 | 124.7° | 131.4° |
| C01 | C02 | C06 | 127.5° | 127.2° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C06 | C05 | 108.7° | 106.1° |
| C02 | C06 | C07 | 132.7° | 132.6° |
| C06 | C05 | C12 | 126.0° | 121.2° |
| C05 | C06 | C07 | 118.7° | 121.2° |
| C05 | C12 | C13 | 121.6° | 121.6° |
| C05 | C12 | C11 | 119.5° | 118.7° |
| C06 | C07 | O08 | 122.0° | 122.7° |
| C06 | C07 | C09 | 117.5° | 114.4° |
| C12 | C13 | C14 | 122.1° | 119.6° |
| C13 | C12 | C11 | 118.9° | 119.6° |
| C12 | C13 | H1 | 119.0° | 120.2° |
| C13 | C14 | C15 | 120.0° | 121.1° |
| C14 | C13 | H1 | 118.9° | 120.2° |
| C13 | C14 | H13 | 120.0° | 119.5° |
| C12 | C11 | C09 | 118.7° | 120.1° |
| C12 | C11 | C16 | 118.9° | 119.9° |
| C14 | C15 | C16 | 120.8° | 120.1° |
| C14 | C15 | C20 | 117.4° | 117.5° |
| C15 | C14 | H13 | 120.0° | 119.4° |
| O08 | C07 | C09 | 120.5° | 122.8° |
| C07 | C09 | C11 | 119.7° | 117.4° |
| C07 | C09 | O10 | 116.4° | 121.3° |
| C09 | C11 | C16 | 122.3° | 119.9° |
| C11 | C09 | O10 | 123.9° | 121.4° |
| C11 | C16 | C15 | 119.3° | 119.6° |
| C11 | C16 | C17 | 119.8° | 117.8° |
| C22 | C20 | C15 | 110.3° | 109.2° |
| C22 | C20 | C21 | 109.2° | 109.3° |
| C22 | C20 | C19 | 108.8° | 109.2° |
| C20 | C22 | H7 | 109.5° | 109.5° |
| C20 | C22 | H8 | 109.5° | 109.4° |
| C20 | C22 | H9 | 109.5° | 109.5° |
| C16 | C15 | C20 | 121.8° | 122.4° |
| C15 | C16 | C17 | 121.0° | 122.6° |
| C15 | C20 | C21 | 108.9° | 109.2° |
| C15 | C20 | C19 | 110.9° | 110.7° |
| C16 | C17 | C18 | 115.7° | 110.6° |
| C16 | C17 | H2 | 107.9° | 109.3° |
| C16 | C17 | H3 | 107.9° | 109.3° |
| C21 | C20 | C19 | 108.8° | 109.2° |
| C20 | C21 | H4 | 109.5° | 109.5° |
| C20 | C21 | H5 | 109.5° | 109.4° |
| C20 | C21 | H6 | 109.5° | 109.4° |
| C20 | C19 | C18 | 111.2° | 108.4° |
| C20 | C19 | H16 | 109.0° | 109.7° |
| C20 | C19 | H17 | 109.1° | 109.7° |
| C17 | C18 | C19 | 112.5° | 108.4° |
| C18 | C17 | H2 | 107.9° | 109.2° |
| C18 | C17 | H3 | 107.9° | 109.2° |
| C17 | C18 | H14 | 108.7° | 109.7° |
| C17 | C18 | H15 | 108.7° | 109.7° |
| C19 | C18 | H14 | 108.7° | 109.7° |
| C19 | C18 | H15 | 108.7° | 109.7° |
| C18 | C19 | H16 | 109.0° | 109.7° |
| C18 | C19 | H17 | 109.0° | 109.6° |
| H2 | C17 | H3 | 109.5° | 109.3° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H4 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.4° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.4° | 109.4° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.6° |
| H16 | C19 | H17 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | S23 | O24 | O26 | 120.7° | 123.0° |
| O25 | S23 | O24 | C03 | 120.8° | 122.9° |
| O25 | S23 | O26 | C03 | 119.2° | 113.5° |
| O25 | S23 | C03 | O04 | 34.5° | 113.6° |
| O25 | S23 | C03 | C02 | 145.5° | 66.5° |
| O25 | S23 | O26 | H18 | 121.6° | 66.5° |
| O24 | S23 | O26 | C03 | 119.2° | 113.5° |
| O24 | S23 | C03 | O04 | 156.1° | 113.5° |
| O24 | S23 | C03 | C02 | 23.9° | 66.5° |
| O24 | S23 | O26 | H18 | 0.0° | 66.5° |
| O26 | S23 | C03 | O04 | 84.7° | 0.1° |
| O26 | S23 | C03 | C02 | 95.3° | 180.0° |
| S23 | C03 | O04 | C02 | 180.0° | 179.9° |
| S23 | C03 | O04 | C05 | 180.0° | 179.9° |
| S23 | C03 | C02 | C01 | 0.0° | 0.1° |
| S23 | C03 | C02 | C06 | 180.0° | 180.0° |
| C03 | S23 | O26 | H18 | 119.2° | 180.0° |
| O04 | C03 | C02 | C01 | 180.0° | 180.0° |
| O04 | C03 | C02 | C06 | 0.0° | 0.0° |
| C03 | O04 | C05 | C06 | 0.0° | 0.2° |
| C03 | O04 | C05 | C12 | 179.9° | 179.9° |
| C02 | C03 | O04 | C05 | 0.0° | 0.1° |
| C03 | C02 | C01 | C06 | 180.0° | 180.0° |
| C03 | C02 | C06 | C05 | 0.0° | 0.1° |
| C03 | C02 | C06 | C07 | 180.0° | 179.8° |
| C03 | C02 | C01 | H10 | 90.0° | 89.9° |
| C03 | C02 | C01 | H11 | 150.0° | 30.0° |
| C03 | C02 | C01 | H12 | 30.0° | 150.1° |
| O04 | C05 | C06 | C02 | 0.0° | 0.1° |
| O04 | C05 | C06 | C12 | 179.9° | 180.0° |
| O04 | C05 | C06 | C07 | 180.0° | 179.8° |
| O04 | C05 | C12 | C13 | 0.1° | 10.8° |
| O04 | C05 | C12 | C11 | 180.0° | 169.5° |
| C01 | C02 | C06 | C05 | 179.9° | 179.9° |
| C01 | C02 | C06 | C07 | 0.0° | 0.2° |
| C02 | C01 | H10 | H11 | 120.0° | 119.9° |
| C02 | C01 | H10 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C06 | C05 | C07 | 179.9° | 179.9° |
| C02 | C06 | C05 | C12 | 180.0° | 179.9° |
| C02 | C06 | C07 | O08 | 0.0° | 20.3° |
| C02 | C06 | C07 | C09 | 180.0° | 159.8° |
| C06 | C02 | C01 | H10 | 90.0° | 90.0° |
| C06 | C02 | C01 | H11 | 30.0° | 150.0° |
| C06 | C02 | C01 | H12 | 150.0° | 30.0° |
| C06 | C05 | C12 | C13 | 180.0° | 169.2° |
| C06 | C05 | C12 | C11 | 0.1° | 10.5° |
| C05 | C06 | C07 | O08 | 180.0° | 159.9° |
| C05 | C06 | C07 | C09 | 0.0° | 20.1° |
| C12 | C05 | C06 | C07 | 0.1° | 0.2° |
| C05 | C12 | C13 | C11 | 179.9° | 179.7° |
| C05 | C12 | C13 | C14 | 179.9° | 179.3° |
| C05 | C12 | C11 | C09 | 0.0° | 1.2° |
| C05 | C12 | C11 | C16 | 179.9° | 179.0° |
| C05 | C12 | C13 | H1 | 0.1° | 0.9° |
| C06 | C07 | O08 | C09 | 180.0° | 180.0° |
| C06 | C07 | C09 | C11 | 0.0° | 30.7° |
| C06 | C07 | C09 | O10 | 180.0° | 149.4° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C13 | C12 | C11 | C09 | 180.0° | 179.1° |
| C13 | C12 | C11 | C16 | 0.0° | 0.6° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.4° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C13 | C14 | C15 | C20 | 180.0° | 179.8° |
| C12 | C11 | C09 | C07 | 0.0° | 22.0° |
| C12 | C11 | C09 | C16 | 179.9° | 179.8° |
| C12 | C11 | C16 | C15 | 0.0° | 0.6° |
| C12 | C11 | C09 | O10 | 180.0° | 158.1° |
| C12 | C11 | C16 | C17 | 180.0° | 179.1° |
| C11 | C12 | C13 | H1 | 180.0° | 179.4° |
| C14 | C15 | C16 | C11 | 0.0° | 0.4° |
| C14 | C15 | C20 | C22 | 84.3° | 77.4° |
| C14 | C15 | C16 | C20 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 180.0° | 179.4° |
| C14 | C15 | C20 | C21 | 35.5° | 42.1° |
| C14 | C15 | C20 | C19 | 155.2° | 162.4° |
| C15 | C14 | C13 | H1 | 180.0° | 179.7° |
| O08 | C07 | C09 | C11 | 180.0° | 149.3° |
| O08 | C07 | C09 | O10 | 0.0° | 30.7° |
| C07 | C09 | C11 | O10 | 179.9° | 179.9° |
| C07 | C09 | C11 | C16 | 180.0° | 158.2° |
| C09 | C11 | C16 | C15 | 180.0° | 179.1° |
| C09 | C11 | C16 | C17 | 0.0° | 1.1° |
| C11 | C16 | C15 | C17 | 180.0° | 179.7° |
| C11 | C16 | C15 | C20 | 180.0° | 179.5° |
| C16 | C11 | C09 | O10 | 0.1° | 21.7° |
| C11 | C16 | C17 | C18 | 176.1° | 162.4° |
| C11 | C16 | C17 | H2 | 63.0° | 77.4° |
| C11 | C16 | C17 | H3 | 55.2° | 42.1° |
| C22 | C20 | C15 | C16 | 95.7° | 102.5° |
| C22 | C20 | C15 | C21 | 119.8° | 119.5° |
| C22 | C20 | C15 | C19 | 120.5° | 120.3° |
| C22 | C20 | C21 | C19 | 118.5° | 119.4° |
| C22 | C20 | C19 | C18 | 68.1° | 69.2° |
| C22 | C20 | C21 | H4 | 180.0° | 179.4° |
| C22 | C20 | C21 | H5 | 60.0° | 60.6° |
| C22 | C20 | C21 | H6 | 60.0° | 59.3° |
| C20 | C22 | H7 | H8 | 120.0° | 119.9° |
| C20 | C22 | H7 | H9 | 120.0° | 120.1° |
| C20 | C22 | H8 | H9 | 120.0° | 120.0° |
| C22 | C20 | C19 | H16 | 52.1° | 50.6° |
| C22 | C20 | C19 | H17 | 171.6° | 171.2° |
| C16 | C15 | C20 | C21 | 144.5° | 138.1° |
| C16 | C15 | C20 | C19 | 24.8° | 17.8° |
| C15 | C16 | C17 | C18 | 3.9° | 17.9° |
| C15 | C16 | C17 | H2 | 117.0° | 102.4° |
| C15 | C16 | C17 | H3 | 124.8° | 138.2° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 0.0° | 0.8° |
| C15 | C20 | C21 | C19 | 121.0° | 121.2° |
| C15 | C20 | C19 | C18 | 53.3° | 51.1° |
| C15 | C20 | C21 | H4 | 59.6° | 60.0° |
| C15 | C20 | C21 | H5 | 179.6° | 180.0° |
| C15 | C20 | C21 | H6 | 60.5° | 60.1° |
| C15 | C20 | C22 | H7 | 180.0° | 60.0° |
| C15 | C20 | C22 | H8 | 60.0° | 180.0° |
| C15 | C20 | C22 | H9 | 60.0° | 60.0° |
| C20 | C15 | C14 | H13 | 0.0° | 0.1° |
| C15 | C20 | C19 | H16 | 173.6° | 170.8° |
| C15 | C20 | C19 | H17 | 67.0° | 68.5° |
| C16 | C17 | C18 | H2 | 120.9° | 120.3° |
| C16 | C17 | C18 | H3 | 120.9° | 120.3° |
| C16 | C17 | C18 | C19 | 32.8° | 51.2° |
| C16 | C17 | H2 | H3 | 117.2° | 119.5° |
| C16 | C17 | C18 | H14 | 153.3° | 171.0° |
| C16 | C17 | C18 | H15 | 87.6° | 68.6° |
| C21 | C20 | C19 | C18 | 173.1° | 171.4° |
| C20 | C21 | H4 | H5 | 120.0° | 120.0° |
| C20 | C21 | H4 | H6 | 120.0° | 120.0° |
| C20 | C21 | H5 | H6 | 120.0° | 119.9° |
| C21 | C20 | C22 | H7 | 60.4° | 59.4° |
| C21 | C20 | C22 | H8 | 179.6° | 60.6° |
| C21 | C20 | C22 | H9 | 59.6° | 179.4° |
| C21 | C20 | C19 | H16 | 66.7° | 68.9° |
| C21 | C20 | C19 | H17 | 52.8° | 51.7° |
| C20 | C19 | C18 | C17 | 58.5° | 69.9° |
| C20 | C19 | C18 | H16 | 120.2° | 119.7° |
| C20 | C19 | C18 | H17 | 120.3° | 119.7° |
| C19 | C20 | C21 | H4 | 61.5° | 61.2° |
| C19 | C20 | C21 | H5 | 58.6° | 58.8° |
| C19 | C20 | C21 | H6 | 178.5° | 178.7° |
| C19 | C20 | C22 | H7 | 58.2° | 178.8° |
| C19 | C20 | C22 | H8 | 61.8° | 58.8° |
| C19 | C20 | C22 | H9 | 178.2° | 61.2° |
| C20 | C19 | C18 | H14 | 179.0° | 170.4° |
| C20 | C19 | C18 | H15 | 61.9° | 49.9° |
| C20 | C19 | H16 | H17 | 119.2° | 120.6° |
| C17 | C18 | C19 | H14 | 120.5° | 119.7° |
| C17 | C18 | C19 | H15 | 120.4° | 119.8° |
| C18 | C17 | H2 | H3 | 117.1° | 119.4° |
| C17 | C18 | H14 | H15 | 118.6° | 120.5° |
| C17 | C18 | C19 | H16 | 178.8° | 170.4° |
| C17 | C18 | C19 | H17 | 61.8° | 49.8° |
| C19 | C18 | C17 | H2 | 88.1° | 69.0° |
| C19 | C18 | C17 | H3 | 153.8° | 171.5° |
| C19 | C18 | H14 | H15 | 118.6° | 120.6° |
| C18 | C19 | H16 | H17 | 119.2° | 120.5° |
| H1 | C13 | C14 | H13 | 0.0° | 0.3° |
| H2 | C17 | C18 | H14 | 32.4° | 50.7° |
| H2 | C17 | C18 | H15 | 151.5° | 171.1° |
| H3 | C17 | C18 | H14 | 85.8° | 68.8° |
| H3 | C17 | C18 | H15 | 33.3° | 51.7° |
| H4 | C21 | H5 | H6 | 120.0° | 120.0° |
| H7 | C22 | H8 | H9 | 120.0° | 120.0° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H14 | C18 | C19 | H16 | 60.8° | 50.6° |
| H14 | C18 | C19 | H17 | 58.7° | 70.0° |
| H15 | C18 | C19 | H16 | 58.3° | 69.8° |
| H15 | C18 | C19 | H17 | 177.8° | 169.5° |
