Y0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | S2 | doub | 1.42Å | 1.66Å | |
| S2 | O4 | doub | 1.42Å | 1.65Å | |
| S2 | C10 | sing | 1.76Å | 1.79Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| F1 | C4 | sing | 1.35Å | 1.37Å | |
| O7 | C11 | sing | 1.36Å | 1.43Å | |
| O7 | C14 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | doub | 1.39Å | 1.35Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C7 | S1 | sing | 1.76Å | 1.81Å | |
| C12 | O6 | sing | 1.36Å | 1.41Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.64Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| O6 | C13 | sing | 1.43Å | 1.39Å | |
| S1 | N1 | sing | 1.66Å | 1.69Å | |
| S1 | O3 | doub | 1.42Å | 1.65Å | |
| C6 | N1 | sing | 1.40Å | 1.43Å | |
| C6 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.39Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.08Å | 1.08Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| S2 | F2 | sing | 1.61Å | 1.61Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | S2 | O4 | 118.0° | 123.1° |
| O5 | S2 | C10 | 112.5° | 106.4° |
| O5 | S2 | F2 | 110.7° | 106.4° |
| O4 | S2 | C10 | 115.3° | 106.4° |
| O4 | S2 | F2 | 103.4° | 106.4° |
| S2 | C10 | C9 | 118.3° | 120.0° |
| S2 | C10 | C11 | 119.6° | 120.0° |
| C10 | S2 | F2 | 93.6° | 107.3° |
| C10 | C9 | C8 | 118.1° | 120.1° |
| C9 | C10 | C11 | 121.9° | 120.0° |
| C10 | C9 | H91 | 120.9° | 119.9° |
| C9 | C8 | C7 | 120.1° | 120.1° |
| C9 | C8 | H81 | 119.9° | 120.0° |
| C8 | C9 | H91 | 120.9° | 119.9° |
| C10 | C11 | O7 | 117.1° | 119.3° |
| C10 | C11 | C12 | 120.2° | 119.9° |
| C8 | C7 | C12 | 121.8° | 120.0° |
| C8 | C7 | S1 | 118.3° | 120.0° |
| C7 | C8 | H81 | 120.0° | 119.9° |
| F1 | C4 | C5 | 121.3° | 119.9° |
| F1 | C4 | C3 | 119.7° | 119.9° |
| C11 | O7 | C14 | 112.9° | 116.7° |
| O7 | C11 | C12 | 122.6° | 120.8° |
| O7 | C14 | C13 | 113.3° | 108.2° |
| O7 | C14 | H142 | 108.5° | 109.7° |
| O7 | C14 | H141 | 108.5° | 109.8° |
| C11 | C12 | C7 | 117.8° | 119.8° |
| C11 | C12 | O6 | 123.2° | 120.8° |
| C12 | C7 | S1 | 119.9° | 120.0° |
| C7 | C12 | O6 | 119.0° | 119.4° |
| C7 | S1 | O2 | 105.9° | 106.4° |
| C7 | S1 | N1 | 107.5° | 107.2° |
| C7 | S1 | O3 | 112.1° | 106.4° |
| C12 | O6 | C13 | 113.9° | 116.7° |
| C5 | C4 | C3 | 119.1° | 120.1° |
| C4 | C5 | C6 | 119.3° | 119.9° |
| C4 | C5 | H51 | 120.3° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C4 | C3 | H31 | 119.6° | 120.0° |
| C14 | C13 | O6 | 113.3° | 108.3° |
| C13 | C14 | H142 | 108.5° | 109.7° |
| C13 | C14 | H141 | 108.5° | 109.7° |
| C14 | C13 | H132 | 108.5° | 109.7° |
| C14 | C13 | H131 | 108.5° | 109.7° |
| C5 | C6 | N1 | 119.9° | 120.0° |
| C5 | C6 | C15 | 121.9° | 120.0° |
| C6 | C5 | H51 | 120.3° | 120.0° |
| O2 | S1 | N1 | 108.9° | 106.4° |
| O2 | S1 | O3 | 111.9° | 123.2° |
| C3 | C2 | C15 | 120.6° | 120.0° |
| C3 | C2 | O1 | 120.4° | 120.0° |
| C2 | C3 | H31 | 119.7° | 120.0° |
| O6 | C13 | H132 | 108.5° | 109.8° |
| O6 | C13 | H131 | 108.5° | 109.7° |
| N1 | S1 | O3 | 110.4° | 106.4° |
| S1 | N1 | C6 | 114.9° | 120.0° |
| S1 | N1 | H14 | 108.1° | 120.0° |
| N1 | C6 | C15 | 118.2° | 120.0° |
| C6 | N1 | H14 | 108.1° | 120.0° |
| C6 | C15 | C2 | 118.4° | 119.9° |
| C6 | C15 | H151 | 120.8° | 120.1° |
| C15 | C2 | O1 | 119.0° | 120.0° |
| C2 | C15 | H151 | 120.8° | 120.1° |
| C2 | O1 | C1 | 109.0° | 117.1° |
| O1 | C1 | H12 | 109.5° | 109.6° |
| O1 | C1 | H13 | 109.5° | 109.5° |
| O1 | C1 | H11 | 109.5° | 109.4° |
| H142 | C14 | H141 | 109.5° | 109.7° |
| H132 | C13 | H131 | 109.5° | 109.7° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H11 | 109.5° | 109.4° |
| H13 | C1 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | S2 | O4 | C10 | 136.8° | 122.9° |
| O5 | S2 | O4 | F2 | 122.6° | 122.9° |
| O5 | S2 | C10 | F2 | 114.2° | 113.6° |
| O5 | S2 | C10 | C9 | 24.4° | 90.0° |
| O5 | S2 | C10 | C11 | 161.3° | 90.1° |
| O4 | S2 | C10 | F2 | 106.7° | 113.6° |
| O4 | S2 | C10 | C9 | 163.6° | 42.8° |
| O4 | S2 | C10 | C11 | 22.1° | 137.1° |
| S2 | C10 | C9 | C11 | 174.2° | 179.9° |
| S2 | C10 | C9 | C8 | 176.2° | 179.9° |
| S2 | C10 | C11 | O7 | 4.5° | 0.3° |
| S2 | C10 | C11 | C12 | 177.3° | 179.9° |
| S2 | C10 | C9 | H91 | 3.8° | 0.0° |
| C10 | C9 | C8 | H91 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.1° |
| C9 | C10 | C11 | O7 | 178.6° | 179.7° |
| C9 | C10 | C11 | C12 | 3.2° | 0.1° |
| C10 | C9 | C8 | H81 | 179.7° | 179.9° |
| C9 | C10 | S2 | F2 | 89.8° | 156.4° |
| C8 | C9 | C10 | C11 | 2.1° | 0.0° |
| C9 | C8 | C7 | H81 | 180.0° | 180.0° |
| C9 | C8 | C7 | C12 | 1.5° | 0.0° |
| C9 | C8 | C7 | S1 | 178.8° | 180.0° |
| C10 | C11 | O7 | C12 | 178.1° | 179.8° |
| C10 | C11 | O7 | C14 | 168.0° | 162.7° |
| C10 | C11 | C12 | C7 | 1.9° | 0.2° |
| C10 | C11 | C12 | O6 | 178.4° | 179.6° |
| C11 | C10 | C9 | H91 | 177.9° | 180.0° |
| C11 | C10 | S2 | F2 | 84.5° | 23.5° |
| C8 | C7 | C12 | C11 | 0.4° | 0.1° |
| C8 | C7 | C12 | S1 | 179.7° | 180.0° |
| C8 | C7 | C12 | O6 | 179.3° | 179.7° |
| C8 | C7 | S1 | O2 | 6.7° | 131.5° |
| C8 | C7 | S1 | N1 | 109.6° | 115.0° |
| C8 | C7 | S1 | O3 | 128.9° | 1.5° |
| C7 | C8 | C9 | H91 | 179.7° | 180.0° |
| F1 | C4 | C5 | C3 | 179.8° | 179.8° |
| F1 | C4 | C5 | C6 | 179.6° | 179.8° |
| F1 | C4 | C3 | C2 | 179.5° | 179.7° |
| F1 | C4 | C5 | H51 | 0.4° | 0.3° |
| F1 | C4 | C3 | H31 | 0.5° | 0.3° |
| O7 | C11 | C12 | C7 | 180.0° | 179.6° |
| O7 | C11 | C12 | O6 | 0.3° | 0.6° |
| C11 | O7 | C14 | C13 | 38.8° | 46.3° |
| C11 | O7 | C14 | H142 | 159.4° | 73.4° |
| C11 | O7 | C14 | H141 | 81.7° | 166.0° |
| C14 | O7 | C11 | C12 | 13.9° | 17.5° |
| O7 | C14 | C13 | H142 | 120.5° | 119.7° |
| O7 | C14 | C13 | H141 | 120.6° | 119.7° |
| O7 | C14 | C13 | O6 | 54.4° | 59.8° |
| O7 | C14 | H142 | H141 | 118.2° | 120.7° |
| O7 | C14 | C13 | H132 | 66.2° | 60.0° |
| O7 | C14 | C13 | H131 | 174.9° | 179.4° |
| C11 | C12 | C7 | O6 | 179.7° | 179.8° |
| C11 | C12 | C7 | S1 | 179.9° | 179.9° |
| C11 | C12 | O6 | C13 | 14.6° | 17.4° |
| C12 | C7 | S1 | O2 | 173.6° | 48.5° |
| C7 | C12 | O6 | C13 | 165.7° | 162.8° |
| C12 | C7 | S1 | N1 | 70.1° | 65.0° |
| C12 | C7 | S1 | O3 | 51.3° | 178.5° |
| C12 | C7 | C8 | H81 | 178.5° | 180.0° |
| S1 | C7 | C12 | O6 | 0.4° | 0.3° |
| C7 | S1 | O2 | N1 | 115.3° | 114.1° |
| C7 | S1 | O2 | O3 | 122.4° | 123.0° |
| C7 | S1 | N1 | O3 | 122.5° | 113.5° |
| C7 | S1 | N1 | C6 | 97.0° | 65.1° |
| S1 | C7 | C8 | H81 | 1.2° | 0.1° |
| C7 | S1 | N1 | H14 | 142.2° | 115.1° |
| C12 | O6 | C13 | C14 | 39.7° | 46.2° |
| C12 | O6 | C13 | H132 | 80.9° | 73.5° |
| C12 | O6 | C13 | H131 | 160.3° | 165.9° |
| C4 | C5 | C6 | H51 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | N1 | 179.8° | 180.0° |
| C4 | C5 | C6 | C15 | 1.0° | 0.0° |
| C5 | C4 | C3 | H31 | 179.3° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C2 | H31 | 180.0° | 180.0° |
| C4 | C3 | C2 | C15 | 1.2° | 0.1° |
| C4 | C3 | C2 | O1 | 179.2° | 180.0° |
| C3 | C4 | C5 | H51 | 179.4° | 180.0° |
| C14 | C13 | O6 | H132 | 120.6° | 119.8° |
| C14 | C13 | O6 | H131 | 120.5° | 119.7° |
| C13 | C14 | H142 | H141 | 118.3° | 120.6° |
| C14 | C13 | H132 | H131 | 118.2° | 120.5° |
| C5 | C6 | N1 | S1 | 55.1° | 44.9° |
| C5 | C6 | N1 | C15 | 178.8° | 179.9° |
| C5 | C6 | C15 | C2 | 1.4° | 0.1° |
| C5 | C6 | N1 | H14 | 176.0° | 135.0° |
| C5 | C6 | C15 | H151 | 178.6° | 179.9° |
| O2 | S1 | N1 | O3 | 123.2° | 133.0° |
| O2 | S1 | N1 | C6 | 17.3° | 48.5° |
| O2 | S1 | N1 | H14 | 103.5° | 131.4° |
| C3 | C2 | C15 | C6 | 1.5° | 0.1° |
| C3 | C2 | C15 | O1 | 178.0° | 179.9° |
| C3 | C2 | O1 | C1 | 62.6° | 0.0° |
| C3 | C2 | C15 | H151 | 178.5° | 180.0° |
| O6 | C13 | C14 | H142 | 174.9° | 60.0° |
| O6 | C13 | C14 | H141 | 66.2° | 179.5° |
| O6 | C13 | H132 | H131 | 118.3° | 120.6° |
| S1 | N1 | C6 | H14 | 120.8° | 179.9° |
| S1 | N1 | C6 | C15 | 123.7° | 135.0° |
| O3 | S1 | N1 | C6 | 140.5° | 178.6° |
| O3 | S1 | N1 | H14 | 19.7° | 1.6° |
| N1 | C6 | C15 | C2 | 179.8° | 179.9° |
| N1 | C6 | C5 | H51 | 0.3° | 0.1° |
| N1 | C6 | C15 | H151 | 0.2° | 0.0° |
| C6 | C15 | C2 | H151 | 180.0° | 179.9° |
| C6 | C15 | C2 | O1 | 179.5° | 180.0° |
| C15 | C6 | C5 | H51 | 179.0° | 180.0° |
| C15 | C6 | N1 | H14 | 2.9° | 45.1° |
| C15 | C2 | O1 | C1 | 115.4° | 179.9° |
| C15 | C2 | C3 | H31 | 178.8° | 179.9° |
| O1 | C2 | C3 | H31 | 0.8° | 0.0° |
| C2 | O1 | C1 | H12 | 180.0° | 180.0° |
| C2 | O1 | C1 | H13 | 60.0° | 59.9° |
| C2 | O1 | C1 | H11 | 60.0° | 60.0° |
| O1 | C2 | C15 | H151 | 0.5° | 0.1° |
| O1 | C1 | H12 | H13 | 120.0° | 120.0° |
| O1 | C1 | H12 | H11 | 120.0° | 120.0° |
| O1 | C1 | H13 | H11 | 120.0° | 119.9° |
| H142 | C14 | C13 | H132 | 54.3° | 179.7° |
| H142 | C14 | C13 | H131 | 64.5° | 59.7° |
| H141 | C14 | C13 | H132 | 173.2° | 59.7° |
| H141 | C14 | C13 | H131 | 54.4° | 60.8° |
| H81 | C8 | C9 | H91 | 0.3° | 0.1° |
| H12 | C1 | H13 | H11 | 120.0° | 120.0° |
