XV7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.46Å | |
| O1 | S | doub | 1.42Å | 1.45Å | |
| S | O2 | sing | 1.52Å | 1.45Å | |
| S | C | sing | 1.76Å | 1.77Å | |
| C | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C12 | sing | 1.48Å | 1.47Å | |
| C7 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.77Å | |
| O5 | S1 | doub | 1.42Å | 1.46Å | |
| S1 | O4 | doub | 1.42Å | 1.45Å | |
| S1 | O3 | sing | 1.52Å | 1.45Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | O1 | 112.2° | 123.1° |
| O | S | O2 | 112.5° | 106.4° |
| O | S | C | 106.1° | 106.4° |
| O1 | S | O2 | 112.4° | 106.4° |
| O1 | S | C | 106.5° | 106.4° |
| O2 | S | C | 106.6° | 107.2° |
| S | O2 | H10 | 109.5° | 114.1° |
| S | C | C5 | 119.6° | 119.9° |
| S | C | C1 | 120.0° | 120.0° |
| C5 | C | C1 | 120.4° | 120.1° |
| C | C5 | C4 | 120.0° | 120.0° |
| C | C5 | H8 | 120.0° | 120.0° |
| C | C1 | C2 | 119.6° | 120.2° |
| C | C1 | H3 | 120.2° | 119.9° |
| C5 | C4 | C6 | 129.5° | 132.2° |
| C5 | C4 | C3 | 120.2° | 120.3° |
| C4 | C5 | H8 | 120.0° | 120.0° |
| C1 | C2 | C3 | 120.5° | 119.9° |
| C2 | C1 | H3 | 120.2° | 119.9° |
| C1 | C2 | H7 | 119.7° | 120.0° |
| C6 | C4 | C3 | 110.2° | 107.5° |
| C4 | C6 | C7 | 102.5° | 106.1° |
| C4 | C6 | H1 | 111.2° | 110.1° |
| C4 | C6 | H2 | 111.2° | 110.2° |
| C4 | C3 | C2 | 119.3° | 119.4° |
| C4 | C3 | C12 | 108.4° | 109.5° |
| C6 | C7 | C12 | 110.2° | 107.5° |
| C6 | C7 | C8 | 129.6° | 132.2° |
| C7 | C6 | H1 | 111.2° | 110.2° |
| C7 | C6 | H2 | 111.2° | 110.1° |
| C2 | C3 | C12 | 132.3° | 131.2° |
| C3 | C2 | H7 | 119.8° | 120.1° |
| C3 | C12 | C7 | 108.5° | 109.5° |
| C3 | C12 | C11 | 132.2° | 131.2° |
| C12 | C7 | C8 | 120.3° | 120.3° |
| C7 | C12 | C11 | 119.3° | 119.4° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C7 | C8 | H6 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.5° | 119.9° |
| C12 | C11 | H4 | 119.8° | 120.1° |
| C8 | C9 | C10 | 120.5° | 120.1° |
| C8 | C9 | S1 | 119.8° | 119.9° |
| C9 | C8 | H6 | 120.0° | 120.0° |
| C11 | C10 | C9 | 119.6° | 120.3° |
| C10 | C11 | H4 | 119.8° | 120.0° |
| C11 | C10 | H5 | 120.2° | 119.8° |
| C10 | C9 | S1 | 119.8° | 120.0° |
| C9 | C10 | H5 | 120.2° | 119.9° |
| C9 | S1 | O5 | 106.2° | 106.4° |
| C9 | S1 | O4 | 106.5° | 106.4° |
| C9 | S1 | O3 | 106.3° | 107.2° |
| O5 | S1 | O4 | 112.5° | 123.1° |
| O5 | S1 | O3 | 112.2° | 106.4° |
| O4 | S1 | O3 | 112.5° | 106.4° |
| S1 | O3 | H9 | 109.5° | 114.0° |
| H1 | C6 | H2 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | O1 | O2 | 128.0° | 122.9° |
| O | S | O1 | C | 115.7° | 123.0° |
| O | S | O2 | C | 115.9° | 113.6° |
| O | S | C | C5 | 34.3° | 23.6° |
| O | S | C | C1 | 145.3° | 156.5° |
| O | S | O2 | H10 | 127.8° | 66.4° |
| O1 | S | O2 | C | 116.3° | 113.5° |
| O1 | S | C | C5 | 85.4° | 156.5° |
| O1 | S | C | C1 | 95.0° | 23.6° |
| O1 | S | O2 | H10 | 0.0° | 66.5° |
| O2 | S | C | C5 | 154.5° | 90.0° |
| O2 | S | C | C1 | 25.2° | 89.9° |
| S | C | C5 | C1 | 179.6° | 179.9° |
| S | C | C5 | C4 | 179.0° | 180.0° |
| S | C | C1 | C2 | 179.6° | 179.6° |
| S | C | C1 | H3 | 0.4° | 0.0° |
| S | C | C5 | H8 | 1.0° | 0.1° |
| C | S | O2 | H10 | 116.2° | 180.0° |
| C | C5 | C4 | H8 | 180.0° | 179.9° |
| C5 | C | C1 | C2 | 0.0° | 0.3° |
| C | C5 | C4 | C6 | 177.5° | 179.9° |
| C | C5 | C4 | C3 | 0.6° | 0.4° |
| C5 | C | C1 | H3 | 180.0° | 179.9° |
| C1 | C | C5 | C4 | 0.6° | 0.1° |
| C | C1 | C2 | H3 | 180.0° | 179.5° |
| C | C1 | C2 | C3 | 0.6° | 0.5° |
| C | C1 | C2 | H7 | 179.4° | 179.9° |
| C1 | C | C5 | H8 | 179.4° | 180.0° |
| C5 | C4 | C6 | C3 | 178.2° | 179.7° |
| C5 | C4 | C6 | C7 | 175.3° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.2° |
| C5 | C4 | C3 | C12 | 178.4° | 179.8° |
| C5 | C4 | C6 | H1 | 65.8° | 60.8° |
| C5 | C4 | C6 | H2 | 56.4° | 60.8° |
| C1 | C2 | C3 | C4 | 0.6° | 0.2° |
| C1 | C2 | C3 | H7 | 180.0° | 179.5° |
| C1 | C2 | C3 | C12 | 177.4° | 179.3° |
| C4 | C6 | C7 | H1 | 118.9° | 119.2° |
| C4 | C6 | C7 | H2 | 118.9° | 119.2° |
| C6 | C4 | C3 | C2 | 178.4° | 180.0° |
| C6 | C4 | C3 | C12 | 0.0° | 0.4° |
| C4 | C6 | C7 | C12 | 5.0° | 0.0° |
| C4 | C6 | C7 | C8 | 175.2° | 179.7° |
| C4 | C6 | H1 | H2 | 123.3° | 121.7° |
| C6 | C4 | C5 | H8 | 2.5° | 0.0° |
| C3 | C4 | C6 | C7 | 2.9° | 0.3° |
| C4 | C3 | C2 | C12 | 178.0° | 179.5° |
| C4 | C3 | C12 | C7 | 3.3° | 0.5° |
| C4 | C3 | C12 | C11 | 179.2° | 179.6° |
| C3 | C4 | C6 | H1 | 115.9° | 119.5° |
| C3 | C4 | C6 | H2 | 121.8° | 118.9° |
| C4 | C3 | C2 | H7 | 179.4° | 179.7° |
| C3 | C4 | C5 | H8 | 179.4° | 179.7° |
| C6 | C7 | C12 | C3 | 5.2° | 0.3° |
| C6 | C7 | C12 | C8 | 179.8° | 179.7° |
| C6 | C7 | C12 | C11 | 178.2° | 179.7° |
| C6 | C7 | C8 | C9 | 179.2° | 179.7° |
| C7 | C6 | H1 | H2 | 123.2° | 121.6° |
| C6 | C7 | C8 | H6 | 0.8° | 0.3° |
| C2 | C3 | C12 | C7 | 174.9° | 180.0° |
| C2 | C3 | C12 | C11 | 1.1° | 0.1° |
| C3 | C2 | C1 | H3 | 179.4° | 180.0° |
| C3 | C12 | C7 | C11 | 176.6° | 180.0° |
| C3 | C12 | C7 | C8 | 175.0° | 180.0° |
| C3 | C12 | C11 | C10 | 174.3° | 180.0° |
| C3 | C12 | C11 | H4 | 5.7° | 0.1° |
| C12 | C3 | C2 | H7 | 2.6° | 0.2° |
| C12 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C12 | C11 | C10 | 1.3° | 0.0° |
| C12 | C7 | C6 | H1 | 113.9° | 119.2° |
| C12 | C7 | C6 | H2 | 123.9° | 119.2° |
| C7 | C12 | C11 | H4 | 178.6° | 180.0° |
| C12 | C7 | C8 | H6 | 179.5° | 180.0° |
| C8 | C7 | C12 | C11 | 1.6° | 0.0° |
| C7 | C8 | C9 | H6 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 0.0° |
| C7 | C8 | C9 | S1 | 177.6° | 180.0° |
| C8 | C7 | C6 | H1 | 65.9° | 60.5° |
| C8 | C7 | C6 | H2 | 56.3° | 61.1° |
| C12 | C11 | C10 | H4 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C12 | C11 | C10 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 1.2° | 0.0° |
| C8 | C9 | C10 | S1 | 178.5° | 180.0° |
| C8 | C9 | S1 | O5 | 27.5° | 156.4° |
| C8 | C9 | S1 | O4 | 92.7° | 23.5° |
| C8 | C9 | S1 | O3 | 147.1° | 90.1° |
| C8 | C9 | C10 | H5 | 178.8° | 179.9° |
| C11 | C10 | C9 | H5 | 180.0° | 179.9° |
| C11 | C10 | C9 | S1 | 177.3° | 180.0° |
| C10 | C9 | S1 | O5 | 151.1° | 23.6° |
| C10 | C9 | S1 | O4 | 88.7° | 156.5° |
| C10 | C9 | S1 | O3 | 31.5° | 90.0° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | H6 | 179.1° | 180.0° |
| C9 | S1 | O5 | O4 | 116.2° | 123.0° |
| C9 | S1 | O5 | O3 | 115.7° | 114.1° |
| C9 | S1 | O4 | O3 | 116.1° | 114.1° |
| S1 | C9 | C10 | H5 | 2.6° | 0.0° |
| S1 | C9 | C8 | H6 | 2.4° | 0.0° |
| C9 | S1 | O3 | H9 | 115.7° | 180.0° |
| O5 | S1 | O4 | O3 | 127.9° | 122.9° |
| O5 | S1 | O3 | H9 | 0.0° | 66.4° |
| O4 | S1 | O3 | H9 | 128.1° | 66.4° |
| H3 | C1 | C2 | H7 | 0.6° | 0.5° |
| H4 | C11 | C10 | H5 | 0.0° | 0.0° |
