TQV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.61Å | 1.56Å | |
| P | O2P | sing | 1.61Å | 1.61Å | |
| P | O3P | doub | 1.48Å | 1.45Å | |
| P | O4P | sing | 1.61Å | 92.13Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | O2P | sing | 1.36Å | 1.41Å | |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| O1P | C8 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.39Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.37Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| O4P | H4P | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 100.9° | 109.5° |
| O1P | P | O3P | 110.4° | 109.5° |
| O1P | P | O4P | 94.9° | 109.5° |
| P | O1P | C8 | 124.5° | 123.0° |
| O2P | P | O3P | 113.8° | 109.5° |
| O2P | P | O4P | 157.2° | 109.5° |
| P | O2P | C1 | 136.2° | 114.0° |
| O3P | P | O4P | 75.0° | 109.5° |
| P | O4P | H4P | 90.0° | 114.0° |
| C2 | C1 | O2P | 122.3° | 120.0° |
| C2 | C1 | C6 | 118.6° | 119.9° |
| C1 | C2 | C3 | 120.6° | 119.9° |
| C1 | C2 | H2 | 119.7° | 120.0° |
| O2P | C1 | C6 | 118.7° | 120.0° |
| C1 | C6 | C5 | 120.7° | 119.9° |
| C1 | C6 | C7 | 122.2° | 120.1° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| O1P | C8 | C9 | 110.9° | 109.5° |
| O1P | C8 | H8 | 109.1° | 109.5° |
| O1P | C8 | H8A | 109.1° | 109.5° |
| C3 | C4 | C5 | 119.7° | 120.1° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.1° | 119.9° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 116.9° | 120.0° |
| C6 | C5 | H5 | 120.0° | 119.9° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C6 | C7 | H7A | 109.5° | 109.5° |
| C6 | C7 | H7B | 109.5° | 109.5° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C8 | C9 | C14 | 119.3° | 120.1° |
| C9 | C8 | H8 | 109.1° | 109.4° |
| C9 | C8 | H8A | 109.1° | 109.4° |
| C10 | C9 | C14 | 120.5° | 119.9° |
| C9 | C10 | C11 | 119.6° | 120.1° |
| C9 | C10 | H10 | 120.2° | 119.9° |
| C9 | C14 | C13 | 120.0° | 119.9° |
| C9 | C14 | O15 | 117.2° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C11 | C10 | H10 | 120.2° | 120.0° |
| C10 | C11 | H11 | 120.0° | 119.9° |
| C11 | C12 | C13 | 120.6° | 120.1° |
| C12 | C11 | H11 | 120.0° | 119.9° |
| C11 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | C14 | 119.3° | 119.9° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | H13 | 120.3° | 120.0° |
| C13 | C14 | O15 | 122.8° | 120.1° |
| C14 | C13 | H13 | 120.3° | 120.0° |
| C14 | O15 | HO15 | 109.5° | 114.0° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.4° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 118.2° | 120.0° |
| O1P | P | O2P | O4P | 133.2° | 120.1° |
| O1P | P | O3P | O4P | 89.7° | 120.0° |
| O1P | P | O2P | C1 | 28.7° | 175.0° |
| P | O1P | C8 | C9 | 103.2° | 180.0° |
| P | O1P | C8 | H8 | 136.6° | 60.0° |
| P | O1P | C8 | H8A | 17.0° | 60.0° |
| O1P | P | O4P | H4P | 90.0° | 60.0° |
| O2P | P | O3P | O4P | 157.7° | 120.0° |
| P | O2P | C1 | C2 | 12.6° | 75.0° |
| P | O2P | C1 | C6 | 174.8° | 104.7° |
| O2P | P | O1P | C8 | 85.3° | 175.0° |
| O2P | P | O4P | H4P | 90.0° | 60.1° |
| O3P | P | O2P | C1 | 146.9° | 55.0° |
| O3P | P | O1P | C8 | 35.3° | 55.0° |
| O3P | P | O4P | H4P | 90.0° | 180.0° |
| O4P | P | O2P | C1 | 104.5° | 65.0° |
| O4P | P | O1P | C8 | 111.1° | 65.0° |
| C2 | C1 | O2P | C6 | 172.5° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 2.3° | 0.0° |
| C2 | C1 | C6 | C5 | 6.1° | 0.6° |
| C2 | C1 | C6 | C7 | 179.7° | 180.0° |
| C1 | C2 | C3 | H3 | 177.7° | 180.0° |
| O2P | C1 | C2 | C3 | 177.8° | 180.0° |
| O2P | C1 | C6 | C5 | 178.9° | 179.7° |
| O2P | C1 | C6 | C7 | 6.8° | 0.3° |
| O2P | C1 | C2 | H2 | 2.2° | 0.0° |
| C6 | C1 | C2 | C3 | 5.2° | 0.3° |
| C1 | C6 | C5 | C4 | 4.0° | 0.6° |
| C1 | C6 | C5 | C7 | 174.5° | 179.4° |
| C6 | C1 | C2 | H2 | 174.7° | 179.7° |
| C1 | C6 | C5 | H5 | 176.0° | 179.8° |
| C1 | C6 | C7 | H7 | 93.1° | 90.0° |
| C1 | C6 | C7 | H7A | 146.9° | 150.0° |
| C1 | C6 | C7 | H7B | 26.9° | 29.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| O1P | C8 | C9 | H8 | 120.2° | 120.1° |
| O1P | C8 | C9 | H8A | 120.2° | 120.0° |
| O1P | C8 | C9 | C10 | 22.5° | 0.0° |
| O1P | C8 | C9 | C14 | 157.6° | 179.7° |
| O1P | C8 | H8 | H8A | 119.4° | 120.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.3° |
| C4 | C3 | C2 | H2 | 177.7° | 180.0° |
| C3 | C4 | C5 | H5 | 179.1° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 178.5° | 180.0° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 179.1° | 179.7° |
| C5 | C6 | C7 | H7 | 92.5° | 90.6° |
| C5 | C6 | C7 | H7A | 27.6° | 29.4° |
| C5 | C6 | C7 | H7B | 147.5° | 149.5° |
| C7 | C6 | C5 | H5 | 1.5° | 0.4° |
| C6 | C7 | H7 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7B | 120.0° | 120.0° |
| C6 | C7 | H7A | H7B | 120.0° | 120.0° |
| C8 | C9 | C10 | C14 | 179.9° | 179.7° |
| C8 | C9 | C10 | C11 | 179.5° | 179.9° |
| C8 | C9 | C14 | C13 | 179.4° | 179.7° |
| C8 | C9 | C14 | O15 | 0.4° | 0.0° |
| C9 | C8 | H8 | H8A | 119.4° | 119.9° |
| C8 | C9 | C10 | H10 | 0.5° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C14 | C13 | 0.5° | 0.6° |
| C10 | C9 | C14 | O15 | 179.7° | 179.7° |
| C10 | C9 | C8 | H8 | 142.7° | 120.0° |
| C10 | C9 | C8 | H8A | 97.8° | 120.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C14 | C9 | C10 | C11 | 0.3° | 0.2° |
| C9 | C14 | C13 | C12 | 0.2° | 0.7° |
| C9 | C14 | C13 | O15 | 179.8° | 179.7° |
| C14 | C9 | C8 | H8 | 37.4° | 59.7° |
| C14 | C9 | C8 | H8A | 82.1° | 60.3° |
| C14 | C9 | C10 | H10 | 179.7° | 179.7° |
| C9 | C14 | C13 | H13 | 179.7° | 179.7° |
| C9 | C14 | O15 | HO15 | 180.0° | 90.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H12 | 179.8° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.4° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.6° |
| C12 | C13 | C14 | O15 | 179.9° | 179.7° |
| C13 | C12 | C11 | H11 | 179.8° | 179.9° |
| C14 | C13 | C12 | H12 | 179.9° | 179.7° |
| C13 | C14 | O15 | HO15 | 0.2° | 89.7° |
| O15 | C14 | C13 | H13 | 0.1° | 0.0° |
| H2 | C2 | C3 | H3 | 2.4° | 0.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| H4 | C4 | C5 | H5 | 0.9° | 0.1° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 0.0° | 0.1° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
