IPR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P11 | O14 | sing | 1.61Å | 1.51Å | |
| P11 | O12 | sing | 1.61Å | 1.49Å | |
| P11 | O13 | doub | 1.48Å | 1.51Å | |
| P11 | O10 | sing | 1.61Å | 1.60Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O10 | P7 | sing | 1.61Å | 1.59Å | |
| P7 | O8 | sing | 1.61Å | 1.51Å | |
| P7 | O9 | doub | 1.48Å | 1.51Å | |
| P7 | O6 | sing | 1.61Å | 1.60Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O6 | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | HC51 | sing | 1.09Å | 1.11Å | |
| C5 | HC52 | sing | 1.09Å | 1.11Å | |
| C4 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | HC41 | sing | 1.09Å | 1.12Å | |
| C4 | HC42 | sing | 1.09Å | 1.12Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | HC2 | sing | 1.09Å | 1.11Å | |
| C1 | HC11 | sing | 1.09Å | 1.12Å | |
| C1 | HC12 | sing | 1.09Å | 1.12Å | |
| C1 | HC13 | sing | 1.09Å | 1.11Å | |
| C3 | HC31 | sing | 1.09Å | 1.12Å | |
| C3 | HC32 | sing | 1.09Å | 1.11Å | |
| C3 | HC33 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | P11 | O12 | 110.0° | 109.5° |
| O14 | P11 | O13 | 110.9° | 109.4° |
| O14 | P11 | O10 | 105.6° | 109.5° |
| P11 | O14 | H14 | 110.0° | 106.8° |
| O12 | P11 | O13 | 116.8° | 109.5° |
| O12 | P11 | O10 | 106.0° | 109.5° |
| P11 | O12 | H12 | 110.0° | 106.7° |
| O13 | P11 | O10 | 106.7° | 109.5° |
| P11 | O10 | P7 | 122.9° | 106.8° |
| O10 | P7 | O8 | 110.1° | 109.5° |
| O10 | P7 | O9 | 108.3° | 109.4° |
| O10 | P7 | O6 | 98.4° | 109.4° |
| O8 | P7 | O9 | 119.7° | 109.5° |
| O8 | P7 | O6 | 109.7° | 109.5° |
| P7 | O8 | HO8 | 110.1° | 106.8° |
| O9 | P7 | O6 | 108.5° | 109.5° |
| P7 | O6 | C5 | 121.6° | 106.8° |
| O6 | C5 | C4 | 106.9° | 109.5° |
| O6 | C5 | HC51 | 113.2° | 109.5° |
| O6 | C5 | HC52 | 113.2° | 109.5° |
| C4 | C5 | HC51 | 113.1° | 109.4° |
| C4 | C5 | HC52 | 113.1° | 109.5° |
| C5 | C4 | C2 | 117.7° | 109.5° |
| C5 | C4 | HC41 | 109.3° | 109.4° |
| C5 | C4 | HC42 | 109.3° | 109.5° |
| HC51 | C5 | HC52 | 97.3° | 109.4° |
| C2 | C4 | HC41 | 109.2° | 109.4° |
| C2 | C4 | HC42 | 109.2° | 109.5° |
| C4 | C2 | C1 | 118.0° | 109.5° |
| C4 | C2 | C3 | 117.5° | 109.5° |
| C4 | C2 | HC2 | 103.0° | 109.4° |
| HC41 | C4 | HC42 | 100.8° | 109.4° |
| C1 | C2 | C3 | 121.4° | 109.5° |
| C1 | C2 | HC2 | 91.7° | 109.5° |
| C2 | C1 | HC11 | 118.0° | 109.5° |
| C2 | C1 | HC12 | 109.2° | 109.5° |
| C2 | C1 | HC13 | 109.2° | 109.4° |
| C3 | C2 | HC2 | 93.0° | 109.5° |
| C2 | C3 | HC31 | 117.5° | 109.5° |
| C2 | C3 | HC32 | 109.3° | 109.5° |
| C2 | C3 | HC33 | 109.3° | 109.5° |
| HC11 | C1 | HC12 | 109.1° | 109.5° |
| HC11 | C1 | HC13 | 109.1° | 109.4° |
| HC12 | C1 | HC13 | 100.9° | 109.5° |
| HC31 | C3 | HC32 | 109.3° | 109.4° |
| HC31 | C3 | HC33 | 109.3° | 109.5° |
| HC32 | C3 | HC33 | 100.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | P11 | O12 | O13 | 127.6° | 119.9° |
| O14 | P11 | O12 | O10 | 113.8° | 120.0° |
| O14 | P11 | O13 | O10 | 114.6° | 120.0° |
| O14 | P11 | O12 | H12 | 180.0° | 60.0° |
| O14 | P11 | O10 | P7 | 155.6° | 180.0° |
| O12 | P11 | O13 | O10 | 118.3° | 120.0° |
| O12 | P11 | O14 | H14 | 180.0° | 59.9° |
| O12 | P11 | O10 | P7 | 87.6° | 60.0° |
| O13 | P11 | O14 | H14 | 49.2° | 60.1° |
| O13 | P11 | O12 | H12 | 52.4° | 179.9° |
| O13 | P11 | O10 | P7 | 37.5° | 60.0° |
| O10 | P11 | O14 | H14 | 66.0° | 179.9° |
| O10 | P11 | O12 | H12 | 66.2° | 60.0° |
| P11 | O10 | P7 | O8 | 32.5° | 60.0° |
| P11 | O10 | P7 | O9 | 100.2° | 60.0° |
| P11 | O10 | P7 | O6 | 147.1° | 180.0° |
| O10 | P7 | O8 | O9 | 126.5° | 120.0° |
| O10 | P7 | O8 | O6 | 107.2° | 120.0° |
| O10 | P7 | O9 | O6 | 105.8° | 120.0° |
| O10 | P7 | O8 | HO8 | 179.9° | 60.0° |
| O10 | P7 | O6 | C5 | 38.8° | 180.0° |
| O8 | P7 | O9 | O6 | 126.8° | 120.0° |
| O8 | P7 | O6 | C5 | 153.8° | 60.0° |
| O9 | P7 | O8 | HO8 | 53.6° | 180.0° |
| O9 | P7 | O6 | C5 | 73.8° | 60.1° |
| O6 | P7 | O8 | HO8 | 72.7° | 60.0° |
| P7 | O6 | C5 | C4 | 167.6° | 179.9° |
| P7 | O6 | C5 | HC51 | 42.4° | 60.0° |
| P7 | O6 | C5 | HC52 | 67.2° | 59.9° |
| O6 | C5 | C4 | HC51 | 125.3° | 120.0° |
| O6 | C5 | C4 | HC52 | 125.2° | 120.1° |
| O6 | C5 | HC51 | HC52 | 119.1° | 120.0° |
| O6 | C5 | C4 | C2 | 20.4° | 180.0° |
| O6 | C5 | C4 | HC41 | 145.7° | 60.0° |
| O6 | C5 | C4 | HC42 | 104.8° | 59.9° |
| C4 | C5 | HC51 | HC52 | 119.1° | 120.0° |
| C5 | C4 | C2 | HC41 | 125.3° | 120.0° |
| C5 | C4 | C2 | HC42 | 125.3° | 120.1° |
| C5 | C4 | HC41 | HC42 | 115.0° | 120.0° |
| C5 | C4 | C2 | C1 | 117.6° | 180.0° |
| C5 | C4 | C2 | C3 | 81.9° | 59.9° |
| C5 | C4 | C2 | HC2 | 18.6° | 60.0° |
| HC51 | C5 | C4 | C2 | 104.9° | 60.0° |
| HC51 | C5 | C4 | HC41 | 20.4° | 180.0° |
| HC51 | C5 | C4 | HC42 | 129.9° | 60.1° |
| HC52 | C5 | C4 | C2 | 145.7° | 59.9° |
| HC52 | C5 | C4 | HC41 | 89.1° | 60.1° |
| HC52 | C5 | C4 | HC42 | 20.4° | 180.0° |
| C2 | C4 | HC41 | HC42 | 115.0° | 120.0° |
| C4 | C2 | C1 | C3 | 159.7° | 120.0° |
| C4 | C2 | C1 | HC2 | 105.7° | 120.0° |
| C4 | C2 | C3 | HC2 | 106.4° | 119.9° |
| C4 | C2 | C1 | HC11 | 180.0° | 180.0° |
| C4 | C2 | C1 | HC12 | 54.7° | 60.0° |
| C4 | C2 | C1 | HC13 | 54.7° | 60.0° |
| C4 | C2 | C3 | HC31 | 179.9° | 60.0° |
| C4 | C2 | C3 | HC32 | 54.8° | 59.9° |
| C4 | C2 | C3 | HC33 | 54.8° | 179.9° |
| HC41 | C4 | C2 | C1 | 117.1° | 60.0° |
| HC41 | C4 | C2 | C3 | 43.4° | 60.0° |
| HC41 | C4 | C2 | HC2 | 143.9° | 180.0° |
| HC42 | C4 | C2 | C1 | 7.7° | 59.9° |
| HC42 | C4 | C2 | C3 | 152.8° | 180.0° |
| HC42 | C4 | C2 | HC2 | 106.7° | 60.1° |
| C1 | C2 | C3 | HC2 | 93.8° | 120.0° |
| C2 | C1 | HC11 | HC12 | 125.3° | 120.0° |
| C2 | C1 | HC11 | HC13 | 125.4° | 119.9° |
| C2 | C1 | HC12 | HC13 | 114.9° | 120.0° |
| C1 | C2 | C3 | HC31 | 20.1° | 60.0° |
| C1 | C2 | C3 | HC32 | 145.4° | 180.0° |
| C1 | C2 | C3 | HC33 | 105.0° | 60.0° |
| C3 | C2 | C1 | HC11 | 20.2° | 59.9° |
| C3 | C2 | C1 | HC12 | 105.0° | 180.0° |
| C3 | C2 | C1 | HC13 | 145.6° | 60.0° |
| C2 | C3 | HC31 | HC32 | 125.3° | 120.0° |
| C2 | C3 | HC31 | HC33 | 125.2° | 120.1° |
| C2 | C3 | HC32 | HC33 | 115.1° | 120.0° |
| HC2 | C2 | C1 | HC11 | 74.4° | 60.1° |
| HC2 | C2 | C1 | HC12 | 160.4° | 60.0° |
| HC2 | C2 | C1 | HC13 | 51.0° | 180.0° |
| HC2 | C2 | C3 | HC31 | 73.7° | 179.9° |
| HC2 | C2 | C3 | HC32 | 51.6° | 60.0° |
| HC2 | C2 | C3 | HC33 | 161.1° | 60.0° |
| HC11 | C1 | HC12 | HC13 | 114.8° | 120.0° |
| HC31 | C3 | HC32 | HC33 | 115.0° | 120.0° |
