I22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | P1 | sing | 1.61Å | 1.60Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| P1 | O9 | doub | 1.48Å | 1.56Å | |
| P1 | O10 | sing | 1.61Å | 1.64Å | |
| P1 | O7 | sing | 1.61Å | 1.88Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O7 | C7 | sing | 1.43Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.58Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.59Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C1 | O1 | sing | 1.43Å | 1.57Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P1 | O8 | HO8 | 109.5° | 114.0° |
| O8 | P1 | O9 | 110.8° | 109.5° |
| O8 | P1 | O10 | 110.7° | 109.5° |
| O8 | P1 | O7 | 106.3° | 109.5° |
| O9 | P1 | O10 | 112.1° | 109.4° |
| O9 | P1 | O7 | 111.9° | 109.5° |
| O10 | P1 | O7 | 104.7° | 109.4° |
| P1 | O10 | HO10 | 109.5° | 114.1° |
| P1 | O7 | C7 | 117.8° | 123.0° |
| O7 | C7 | C6 | 98.7° | 109.5° |
| O7 | C7 | H71 | 113.2° | 109.5° |
| O7 | C7 | H72 | 113.2° | 109.4° |
| C6 | C7 | H71 | 113.2° | 109.5° |
| C6 | C7 | H72 | 113.2° | 109.5° |
| C7 | C6 | O6 | 101.2° | 109.5° |
| C7 | C6 | C5 | 112.3° | 109.5° |
| C7 | C6 | H6 | 116.6° | 109.4° |
| H71 | C7 | H72 | 105.5° | 109.5° |
| O6 | C6 | C5 | 118.2° | 109.5° |
| O6 | C6 | H6 | 110.5° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C5 | C6 | H6 | 99.0° | 109.5° |
| C6 | C5 | O5 | 95.8° | 109.5° |
| C6 | C5 | C4 | 103.0° | 109.4° |
| C6 | C5 | H5 | 119.3° | 109.5° |
| O5 | C5 | C4 | 103.0° | 109.5° |
| O5 | C5 | H5 | 119.3° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 113.9° |
| C4 | C5 | H5 | 113.5° | 109.5° |
| C5 | C4 | O4 | 95.9° | 109.5° |
| C5 | C4 | C3 | 105.5° | 109.4° |
| C5 | C4 | H4 | 120.4° | 109.5° |
| O4 | C4 | C3 | 110.6° | 109.4° |
| O4 | C4 | H4 | 115.9° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 113.9° |
| C3 | C4 | H4 | 107.8° | 109.4° |
| C4 | C3 | C2 | 108.8° | 109.5° |
| C4 | C3 | O3 | 101.3° | 109.5° |
| C4 | C3 | H3 | 119.3° | 109.5° |
| C2 | C3 | O3 | 119.7° | 109.5° |
| C2 | C3 | H3 | 100.7° | 109.5° |
| C3 | C2 | C1 | 123.1° | 120.0° |
| C3 | C2 | O2 | 118.1° | 120.0° |
| O3 | C3 | H3 | 108.2° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C1 | C2 | O2 | 118.0° | 120.0° |
| C2 | C1 | O1 | 112.5° | 109.5° |
| C2 | C1 | H11 | 108.5° | 109.5° |
| C2 | C1 | H12 | 108.5° | 109.4° |
| O1 | C1 | H11 | 108.5° | 109.5° |
| O1 | C1 | H12 | 108.5° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| H11 | C1 | H12 | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | P1 | O9 | O10 | 124.2° | 120.0° |
| O8 | P1 | O9 | O7 | 118.5° | 120.0° |
| O8 | P1 | O10 | O7 | 114.2° | 120.0° |
| O8 | P1 | O10 | HO10 | 124.3° | 59.9° |
| O8 | P1 | O7 | C7 | 93.5° | 65.0° |
| HO8 | O8 | P1 | O9 | 0.0° | 180.0° |
| HO8 | O8 | P1 | O10 | 125.0° | 60.0° |
| HO8 | O8 | P1 | O7 | 121.8° | 60.0° |
| O9 | P1 | O10 | O7 | 121.5° | 119.9° |
| O9 | P1 | O10 | HO10 | 0.0° | 60.1° |
| O9 | P1 | O7 | C7 | 145.4° | 55.1° |
| O10 | P1 | O7 | C7 | 23.8° | 175.0° |
| O7 | P1 | O10 | HO10 | 121.5° | 180.0° |
| P1 | O7 | C7 | C6 | 163.6° | 180.0° |
| P1 | O7 | C7 | H71 | 76.4° | 59.9° |
| P1 | O7 | C7 | H72 | 43.6° | 60.1° |
| O7 | C7 | C6 | H71 | 120.0° | 120.0° |
| O7 | C7 | C6 | H72 | 120.0° | 120.0° |
| O7 | C7 | H71 | H72 | 124.3° | 120.0° |
| O7 | C7 | C6 | O6 | 39.4° | 65.0° |
| O7 | C7 | C6 | C5 | 166.3° | 175.0° |
| O7 | C7 | C6 | H6 | 80.5° | 55.0° |
| C6 | C7 | H71 | H72 | 124.3° | 120.0° |
| C7 | C6 | O6 | C5 | 123.0° | 120.0° |
| C7 | C6 | O6 | H6 | 124.1° | 120.0° |
| C7 | C6 | C5 | H6 | 123.7° | 120.0° |
| C7 | C6 | O6 | HO6 | 180.0° | 60.0° |
| C7 | C6 | C5 | O5 | 66.2° | 60.0° |
| C7 | C6 | C5 | C4 | 38.6° | 180.0° |
| C7 | C6 | C5 | H5 | 165.4° | 60.0° |
| H71 | C7 | C6 | O6 | 80.6° | 55.0° |
| H71 | C7 | C6 | C5 | 46.3° | 65.0° |
| H71 | C7 | C6 | H6 | 159.5° | 175.0° |
| H72 | C7 | C6 | O6 | 159.3° | 175.0° |
| H72 | C7 | C6 | C5 | 73.7° | 55.0° |
| H72 | C7 | C6 | H6 | 39.5° | 65.0° |
| O6 | C6 | C5 | H6 | 119.2° | 120.0° |
| O6 | C6 | C5 | O5 | 51.0° | 180.0° |
| O6 | C6 | C5 | C4 | 155.8° | 60.0° |
| O6 | C6 | C5 | H5 | 77.4° | 60.0° |
| C5 | C6 | O6 | HO6 | 57.0° | 60.0° |
| C6 | C5 | O5 | C4 | 104.8° | 120.0° |
| C6 | C5 | O5 | H5 | 128.4° | 120.0° |
| C6 | C5 | C4 | H5 | 130.4° | 120.0° |
| C6 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C6 | C5 | C4 | O4 | 62.5° | 60.0° |
| C6 | C5 | C4 | C3 | 175.8° | NaN° |
| C6 | C5 | C4 | H4 | 62.2° | 60.0° |
| H6 | C6 | O6 | HO6 | 55.9° | 180.0° |
| H6 | C6 | C5 | O5 | 170.1° | 60.0° |
| H6 | C6 | C5 | C4 | 85.1° | 60.0° |
| H6 | C6 | C5 | H5 | 41.8° | 180.0° |
| O5 | C5 | C4 | H5 | 130.4° | 120.0° |
| O5 | C5 | C4 | O4 | 161.7° | 180.0° |
| O5 | C5 | C4 | C3 | 85.0° | 60.0° |
| O5 | C5 | C4 | H4 | 37.0° | 60.0° |
| C4 | C5 | O5 | HO5 | 75.2° | 60.0° |
| C5 | C4 | O4 | C3 | 109.0° | 120.0° |
| C5 | C4 | O4 | H4 | 128.0° | 120.1° |
| C5 | C4 | C3 | H4 | 129.7° | 120.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 59.9° |
| C5 | C4 | C3 | C2 | 59.4° | 175.0° |
| C5 | C4 | C3 | O3 | 173.7° | 55.0° |
| C5 | C4 | C3 | H3 | 55.1° | 65.0° |
| H5 | C5 | O5 | HO5 | 51.6° | 180.0° |
| H5 | C5 | C4 | O4 | 67.9° | 60.0° |
| H5 | C5 | C4 | C3 | 45.4° | 60.0° |
| H5 | C5 | C4 | H4 | 167.4° | 180.0° |
| O4 | C4 | C3 | H4 | 127.7° | 119.9° |
| O4 | C4 | C3 | C2 | 162.0° | 55.0° |
| O4 | C4 | C3 | O3 | 71.1° | 65.0° |
| O4 | C4 | C3 | H3 | 47.4° | 175.0° |
| C3 | C4 | O4 | HO4 | 71.1° | 60.1° |
| C4 | C3 | C2 | O3 | 115.6° | 120.0° |
| C4 | C3 | C2 | H3 | 126.1° | 120.0° |
| C4 | C3 | O3 | H3 | 126.2° | 120.0° |
| C4 | C3 | O3 | HO3 | 120.2° | 60.0° |
| C4 | C3 | C2 | C1 | 72.9° | 75.0° |
| C4 | C3 | C2 | O2 | 117.3° | 105.0° |
| H4 | C4 | O4 | HO4 | 52.0° | 180.0° |
| H4 | C4 | C3 | C2 | 70.3° | 65.0° |
| H4 | C4 | C3 | O3 | 56.6° | 175.0° |
| H4 | C4 | C3 | H3 | 175.1° | 55.0° |
| C2 | C3 | O3 | H3 | 114.4° | 120.0° |
| C2 | C3 | O3 | HO3 | 0.8° | 60.0° |
| C3 | C2 | C1 | O2 | 169.8° | 180.0° |
| C3 | C2 | C1 | O1 | 0.1° | 180.0° |
| C3 | C2 | C1 | H11 | 120.1° | 60.0° |
| C3 | C2 | C1 | H12 | 119.9° | 60.0° |
| O3 | C3 | C2 | C1 | 171.5° | 165.0° |
| O3 | C3 | C2 | O2 | 1.7° | 15.0° |
| H3 | C3 | O3 | HO3 | 113.6° | 180.0° |
| H3 | C3 | C2 | C1 | 53.2° | 45.0° |
| H3 | C3 | C2 | O2 | 116.6° | 135.0° |
| C2 | C1 | O1 | H11 | 120.0° | 120.0° |
| C2 | C1 | O1 | H12 | 120.0° | 119.9° |
| C2 | C1 | H11 | H12 | 118.8° | 119.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
| O2 | C2 | C1 | O1 | 169.9° | 0.1° |
| O2 | C2 | C1 | H11 | 70.1° | 120.0° |
| O2 | C2 | C1 | H12 | 50.0° | 120.0° |
| O1 | C1 | H11 | H12 | 118.7° | 120.0° |
| H11 | C1 | O1 | HO1 | 60.0° | 60.0° |
| H12 | C1 | O1 | HO1 | 60.0° | 60.0° |
