0XI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | P11 | doub | 1.48Å | 1.51Å | |
| O12 | P11 | sing | 1.61Å | 1.51Å | |
| O10 | P11 | sing | 1.61Å | 1.61Å | |
| O10 | C09 | sing | 1.43Å | 1.42Å | |
| P11 | O13 | sing | 1.61Å | 1.51Å | |
| C09 | C08 | sing | 1.51Å | 1.51Å | |
| C08 | C02 | doub | 1.33Å | 1.34Å | |
| C02 | C1 | sing | 1.48Å | 1.50Å | |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | H1 | sing | 1.09Å | 1.10Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | P11 | O12 | 110.7° | 109.5° |
| O14 | P11 | O10 | 108.5° | 109.5° |
| O14 | P11 | O13 | 110.0° | 109.5° |
| O12 | P11 | O10 | 108.1° | 109.5° |
| O12 | P11 | O13 | 110.2° | 109.5° |
| P11 | O12 | H12 | 109.5° | 114.0° |
| P11 | O10 | C09 | 119.8° | 123.0° |
| O10 | P11 | O13 | 109.2° | 109.5° |
| O10 | C09 | C08 | 109.4° | 109.5° |
| O10 | C09 | H1 | 109.5° | 109.5° |
| O10 | C09 | H2 | 109.5° | 109.5° |
| P11 | O13 | H13 | 109.5° | 114.0° |
| C09 | C08 | C02 | 120.1° | 120.0° |
| C08 | C09 | H1 | 109.5° | 109.5° |
| C08 | C09 | H2 | 109.5° | 109.5° |
| C09 | C08 | H6 | 120.0° | 120.0° |
| C08 | C02 | C1 | 119.7° | 120.0° |
| C08 | C02 | C01 | 120.8° | 120.0° |
| C02 | C08 | H6 | 119.9° | 120.0° |
| C1 | C02 | C01 | 119.6° | 120.0° |
| C02 | C1 | C6 | 120.2° | 120.1° |
| C02 | C1 | C2 | 119.5° | 120.2° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C02 | C01 | H5 | 109.4° | 109.5° |
| C1 | C6 | C5 | 119.8° | 119.8° |
| C6 | C1 | C2 | 120.4° | 119.7° |
| C1 | C6 | H11 | 120.1° | 120.1° |
| C6 | C5 | C4 | 119.9° | 120.1° |
| C6 | C5 | H10 | 120.1° | 119.9° |
| C5 | C6 | H11 | 120.1° | 120.0° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C1 | C2 | H7 | 120.1° | 120.0° |
| C5 | C4 | C3 | 120.1° | 120.3° |
| C5 | C4 | H9 | 120.0° | 119.8° |
| C4 | C5 | H10 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.1° |
| C3 | C2 | H7 | 120.1° | 120.1° |
| C2 | C3 | H8 | 119.9° | 119.9° |
| C4 | C3 | H8 | 119.9° | 119.9° |
| C3 | C4 | H9 | 120.0° | 119.9° |
| H1 | C09 | H2 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | P11 | O12 | O10 | 118.7° | 120.0° |
| O14 | P11 | O12 | O13 | 122.0° | 120.0° |
| O14 | P11 | O10 | O13 | 120.0° | 120.0° |
| O14 | P11 | O10 | C09 | 179.2° | 55.0° |
| O14 | P11 | O12 | H12 | 0.0° | 59.9° |
| O14 | P11 | O13 | H13 | 0.0° | 180.0° |
| O12 | P11 | O10 | O13 | 120.0° | 120.0° |
| O12 | P11 | O10 | C09 | 60.7° | 175.0° |
| O12 | P11 | O13 | H13 | 122.3° | 60.0° |
| P11 | O10 | C09 | C08 | 140.3° | 180.0° |
| P11 | O10 | C09 | H1 | 99.8° | 60.0° |
| P11 | O10 | C09 | H2 | 20.3° | 60.0° |
| O10 | P11 | O12 | H12 | 118.7° | 180.0° |
| O10 | P11 | O13 | H13 | 119.0° | 60.0° |
| C09 | O10 | P11 | O13 | 59.3° | 65.0° |
| O10 | C09 | C08 | H1 | 120.0° | 120.0° |
| O10 | C09 | C08 | H2 | 120.0° | 120.0° |
| O10 | C09 | C08 | C02 | 148.7° | 135.0° |
| O10 | C09 | H1 | H2 | 120.0° | 120.0° |
| O10 | C09 | C08 | H6 | 31.3° | 45.0° |
| O13 | P11 | O12 | H12 | 122.0° | 60.0° |
| C09 | C08 | C02 | H6 | 180.0° | 180.0° |
| C09 | C08 | C02 | C1 | 180.0° | 180.0° |
| C09 | C08 | C02 | C01 | 0.4° | 0.2° |
| C08 | C09 | H1 | H2 | 120.0° | 120.0° |
| C08 | C02 | C1 | C01 | 179.6° | 179.8° |
| C08 | C02 | C1 | C6 | 38.3° | 65.5° |
| C08 | C02 | C1 | C2 | 142.3° | 114.7° |
| C02 | C08 | C09 | H1 | 91.3° | 105.0° |
| C02 | C08 | C09 | H2 | 28.7° | 14.9° |
| C08 | C02 | C01 | H3 | 180.0° | 89.7° |
| C08 | C02 | C01 | H4 | 60.0° | 30.3° |
| C08 | C02 | C01 | H5 | 60.0° | 150.2° |
| C02 | C1 | C6 | C2 | 179.4° | 179.8° |
| C02 | C1 | C6 | C5 | 179.9° | 179.6° |
| C02 | C1 | C2 | C3 | 179.8° | 180.0° |
| C1 | C02 | C01 | H3 | 0.4° | 90.1° |
| C1 | C02 | C01 | H4 | 119.6° | 150.0° |
| C1 | C02 | C01 | H5 | 120.4° | 30.0° |
| C1 | C02 | C08 | H6 | 0.0° | 0.0° |
| C02 | C1 | C2 | H7 | 0.2° | 0.0° |
| C02 | C1 | C6 | H11 | 0.1° | 0.1° |
| C01 | C02 | C1 | C6 | 142.1° | 114.7° |
| C01 | C02 | C1 | C2 | 37.3° | 65.1° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | C08 | H6 | 179.6° | 179.7° |
| C1 | C6 | C5 | H11 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.5° | 0.6° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | H7 | 179.6° | 179.8° |
| C1 | C6 | C5 | H10 | 179.5° | 179.8° |
| C5 | C6 | C1 | C2 | 0.7° | 0.6° |
| C6 | C5 | C4 | H10 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 0.1° | 0.4° |
| C6 | C5 | C4 | H9 | 179.9° | 179.7° |
| C1 | C2 | C3 | H7 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H8 | 180.0° | 180.0° |
| C2 | C1 | C6 | H11 | 179.3° | 179.7° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C4 | C3 | H9 | 180.0° | 179.9° |
| C5 | C4 | C3 | H8 | 179.9° | 179.9° |
| C4 | C5 | C6 | H11 | 179.5° | 179.7° |
| C2 | C3 | C4 | H8 | 180.0° | 180.0° |
| C2 | C3 | C4 | H9 | 179.8° | 180.0° |
| C4 | C3 | C2 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | H10 | 180.0° | 180.0° |
| H1 | C09 | C08 | H6 | 88.7° | 75.0° |
| H2 | C09 | C08 | H6 | 151.3° | 165.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H7 | C2 | C3 | H8 | 0.0° | 0.0° |
| H8 | C3 | C4 | H9 | 0.1° | 0.0° |
| H9 | C4 | C5 | H10 | 0.1° | 0.1° |
| H10 | C5 | C6 | H11 | 0.5° | 0.1° |
