HSP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | sing | 1.61Å | 1.52Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | P1 | sing | 1.61Å | 1.51Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | S1 | doub | 1.42Å | 1.64Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | S1 | sing | 1.76Å | 1.79Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | O4 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| S1 | C7 | sing | 1.81Å | 1.82Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | P1 | sing | 1.82Å | 1.72Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| P1 | O5 | doub | 1.48Å | 1.52Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P1 | O1 | HO1 | 105.7° | 114.0° |
| O1 | P1 | O2 | 105.7° | 109.5° |
| O1 | P1 | C10 | 113.5° | 109.5° |
| O1 | P1 | O5 | 104.5° | 109.5° |
| P1 | O2 | HO2 | 105.7° | 114.0° |
| O2 | P1 | C10 | 113.6° | 109.5° |
| O2 | P1 | O5 | 105.0° | 109.5° |
| O3 | S1 | C2 | 93.2° | 103.0° |
| O3 | S1 | C7 | 109.6° | 109.5° |
| C2 | C1 | C6 | 119.9° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | C3 | 120.0° | 119.9° |
| C1 | C2 | S1 | 119.9° | 120.0° |
| C6 | C1 | H1 | 120.4° | 120.0° |
| C1 | C6 | C5 | 120.4° | 120.1° |
| C1 | C6 | H6 | 119.9° | 119.9° |
| C3 | C2 | S1 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.6° | 119.9° |
| C2 | C3 | O4 | 121.0° | 120.0° |
| C2 | S1 | C7 | 105.5° | 103.0° |
| C4 | C3 | O4 | 119.4° | 120.1° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C3 | O4 | HO4 | 121.0° | 114.0° |
| C5 | C4 | H4 | 120.0° | 120.1° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C4 | C5 | H5 | 120.2° | 120.0° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| S1 | C7 | C8 | 110.4° | 109.5° |
| S1 | C7 | H71 | 111.9° | 109.5° |
| S1 | C7 | H72 | 111.9° | 109.5° |
| C8 | C7 | H71 | 111.9° | 109.4° |
| C8 | C7 | H72 | 111.8° | 109.5° |
| C7 | C8 | C9 | 110.7° | 109.5° |
| C7 | C8 | H81 | 111.8° | 109.5° |
| C7 | C8 | H82 | 111.8° | 109.5° |
| H71 | C7 | H72 | 98.6° | 109.5° |
| C9 | C8 | H81 | 111.8° | 109.4° |
| C9 | C8 | H82 | 111.7° | 109.5° |
| C8 | C9 | C10 | 110.5° | 109.5° |
| C8 | C9 | H91 | 111.8° | 109.4° |
| C8 | C9 | H92 | 111.8° | 109.5° |
| H81 | C8 | H82 | 98.6° | 109.5° |
| C10 | C9 | H91 | 111.8° | 109.5° |
| C10 | C9 | H92 | 111.8° | 109.5° |
| C9 | C10 | P1 | 113.1° | 109.5° |
| C9 | C10 | H101 | 110.9° | 109.4° |
| C9 | C10 | H102 | 110.9° | 109.5° |
| H91 | C9 | H92 | 98.6° | 109.4° |
| P1 | C10 | H101 | 110.9° | 109.5° |
| P1 | C10 | H102 | 110.8° | 109.5° |
| C10 | P1 | O5 | 113.7° | 109.5° |
| H101 | C10 | H102 | 99.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | C10 | 125.1° | 120.0° |
| O1 | P1 | O2 | O5 | 110.1° | 120.0° |
| O1 | P1 | O2 | HO2 | 180.0° | 60.0° |
| O1 | P1 | C10 | C9 | 87.6° | 65.0° |
| O1 | P1 | C10 | O5 | 119.3° | 120.0° |
| O1 | P1 | C10 | H101 | 147.1° | 55.0° |
| O1 | P1 | C10 | H102 | 37.7° | 175.0° |
| HO1 | O1 | P1 | O2 | 180.0° | 60.0° |
| HO1 | O1 | P1 | C10 | 54.8° | 60.0° |
| HO1 | O1 | P1 | O5 | 69.6° | 180.0° |
| O2 | P1 | C10 | C9 | 151.6° | 175.0° |
| O2 | P1 | C10 | O5 | 120.0° | 120.0° |
| O2 | P1 | C10 | H101 | 26.3° | 65.0° |
| O2 | P1 | C10 | H102 | 83.0° | 55.0° |
| HO2 | O2 | P1 | C10 | 54.9° | 180.0° |
| HO2 | O2 | P1 | O5 | 69.9° | 60.0° |
| O3 | S1 | C2 | C1 | 13.4° | 151.1° |
| O3 | S1 | C2 | C3 | 167.0° | 28.8° |
| O3 | S1 | C2 | C7 | 111.4° | 113.9° |
| O3 | S1 | C7 | C8 | 43.0° | 71.0° |
| O3 | S1 | C7 | H71 | 82.3° | 169.1° |
| O3 | S1 | C7 | H72 | 168.2° | 49.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | S1 | 179.6° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | O4 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C1 | C2 | S1 | C7 | 124.8° | 95.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | S1 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 179.8° |
| H1 | C1 | C2 | S1 | 0.3° | 0.3° |
| H1 | C1 | C6 | C5 | 179.9° | 179.7° |
| H1 | C1 | C6 | H6 | 0.1° | 0.2° |
| C2 | C3 | C4 | O4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C2 | C3 | O4 | HO4 | 180.0° | 90.0° |
| C3 | C2 | S1 | C7 | 55.6° | 85.1° |
| S1 | C2 | C3 | C4 | 179.8° | 180.0° |
| S1 | C2 | C3 | O4 | 0.2° | 0.0° |
| C2 | S1 | C7 | C8 | 56.2° | 180.0° |
| C2 | S1 | C7 | H71 | 178.5° | 60.0° |
| C2 | S1 | C7 | H72 | 69.0° | 60.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | O4 | HO4 | 0.0° | 90.0° |
| O4 | C3 | C4 | C5 | 179.9° | 180.0° |
| O4 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| S1 | C7 | C8 | H71 | 125.2° | 120.0° |
| S1 | C7 | C8 | H72 | 125.3° | 120.0° |
| S1 | C7 | H71 | H72 | 117.8° | 120.0° |
| S1 | C7 | C8 | C9 | 180.0° | 180.0° |
| S1 | C7 | C8 | H81 | 54.7° | 60.0° |
| S1 | C7 | C8 | H82 | 54.8° | 60.0° |
| C8 | C7 | H71 | H72 | 117.8° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 117.7° | 120.0° |
| C7 | C8 | C9 | C10 | 179.7° | NaN° |
| C7 | C8 | C9 | H91 | 55.1° | 60.0° |
| C7 | C8 | C9 | H92 | 54.4° | 59.9° |
| H71 | C7 | C8 | C9 | 54.8° | 60.0° |
| H71 | C7 | C8 | H81 | 179.9° | 180.0° |
| H71 | C7 | C8 | H82 | 70.5° | 60.0° |
| H72 | C7 | C8 | C9 | 54.7° | 60.0° |
| H72 | C7 | C8 | H81 | 70.6° | 60.0° |
| H72 | C7 | C8 | H82 | 179.9° | 180.0° |
| C9 | C8 | H81 | H82 | 117.6° | 120.0° |
| C8 | C9 | C10 | H91 | 125.2° | 120.0° |
| C8 | C9 | C10 | H92 | 125.2° | 120.1° |
| C8 | C9 | H91 | H92 | 117.8° | 120.0° |
| C8 | C9 | C10 | P1 | 175.9° | 180.0° |
| C8 | C9 | C10 | H101 | 50.6° | 60.0° |
| C8 | C9 | C10 | H102 | 58.9° | 60.0° |
| H81 | C8 | C9 | C10 | 54.4° | 60.0° |
| H81 | C8 | C9 | H91 | 179.6° | 180.0° |
| H81 | C8 | C9 | H92 | 70.9° | 60.1° |
| H82 | C8 | C9 | C10 | 55.0° | 60.0° |
| H82 | C8 | C9 | H91 | 70.2° | 60.0° |
| H82 | C8 | C9 | H92 | 179.7° | 180.0° |
| C10 | C9 | H91 | H92 | 117.7° | 120.0° |
| C9 | C10 | P1 | H101 | 125.3° | 120.0° |
| C9 | C10 | P1 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.8° | 120.0° |
| C9 | C10 | P1 | O5 | 31.7° | 55.0° |
| H91 | C9 | C10 | P1 | 58.9° | 60.0° |
| H91 | C9 | C10 | H101 | 175.8° | 180.0° |
| H91 | C9 | C10 | H102 | 66.4° | 60.0° |
| H92 | C9 | C10 | P1 | 50.6° | 59.9° |
| H92 | C9 | C10 | H101 | 74.7° | 60.1° |
| H92 | C9 | C10 | H102 | 175.9° | 180.0° |
| P1 | C10 | H101 | H102 | 116.7° | 120.0° |
| H101 | C10 | P1 | O5 | 93.6° | 175.0° |
| H102 | C10 | P1 | O5 | 157.0° | 65.0° |
