UAH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | P09 | doub | 1.48Å | 1.65Å | |
| P09 | O11 | sing | 1.61Å | 1.46Å | |
| P09 | O12 | sing | 1.61Å | 1.45Å | |
| P09 | O08 | sing | 1.61Å | 1.67Å | |
| O08 | C07 | sing | 1.43Å | 1.41Å | |
| O04 | C03 | sing | 1.36Å | 1.41Å | |
| C05 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.54Å | |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C02 | N14 | doub | 1.32Å | 1.32Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.32Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| O04 | H4 | sing | 0.97Å | 0.95Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| O11 | H8 | sing | 0.97Å | 0.95Å | |
| O12 | H9 | sing | 0.97Å | 0.95Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | P09 | O11 | 110.2° | 109.5° |
| O10 | P09 | O12 | 113.2° | 109.4° |
| O10 | P09 | O08 | 108.8° | 109.5° |
| O11 | P09 | O12 | 99.1° | 109.5° |
| O11 | P09 | O08 | 111.9° | 109.5° |
| P09 | O11 | H8 | 109.5° | 114.0° |
| O12 | P09 | O08 | 113.4° | 109.5° |
| P09 | O12 | H9 | 109.5° | 114.0° |
| P09 | O08 | C07 | 124.1° | 123.0° |
| O08 | C07 | C06 | 105.6° | 109.5° |
| O08 | C07 | H6 | 110.4° | 109.4° |
| O08 | C07 | H7 | 110.4° | 109.5° |
| O04 | C03 | C05 | 119.5° | 120.4° |
| O04 | C03 | C02 | 120.6° | 120.5° |
| C03 | O04 | H4 | 109.5° | 114.0° |
| C03 | C05 | C06 | 118.6° | 118.4° |
| C05 | C03 | C02 | 119.8° | 119.1° |
| C03 | C05 | H5 | 120.7° | 120.8° |
| C05 | C06 | C07 | 121.5° | 120.4° |
| C05 | C06 | C13 | 118.1° | 119.2° |
| C06 | C05 | H5 | 120.7° | 120.8° |
| C07 | C06 | C13 | 120.4° | 120.4° |
| C06 | C07 | H6 | 110.4° | 109.5° |
| C06 | C07 | H7 | 110.4° | 109.5° |
| C03 | C02 | C01 | 121.5° | 119.6° |
| C03 | C02 | N14 | 119.6° | 120.7° |
| C06 | C13 | N14 | 121.8° | 120.9° |
| C06 | C13 | H10 | 119.1° | 119.6° |
| C01 | C02 | N14 | 118.9° | 119.7° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C02 | N14 | C13 | 122.0° | 121.8° |
| N14 | C13 | H10 | 119.1° | 119.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | P09 | O11 | O12 | 119.0° | 120.0° |
| O10 | P09 | O11 | O08 | 121.2° | 120.0° |
| O10 | P09 | O12 | O08 | 124.5° | 120.0° |
| O10 | P09 | O08 | C07 | 174.8° | 54.9° |
| O10 | P09 | O11 | H8 | 0.0° | 60.0° |
| O10 | P09 | O12 | H9 | 0.0° | 180.0° |
| O11 | P09 | O12 | O08 | 118.7° | 120.0° |
| O11 | P09 | O08 | C07 | 52.8° | 175.0° |
| O11 | P09 | O12 | H9 | 116.7° | 60.0° |
| O12 | P09 | O08 | C07 | 58.3° | 65.0° |
| O12 | P09 | O11 | H8 | 119.0° | 59.9° |
| P09 | O08 | C07 | C06 | 180.0° | 180.0° |
| P09 | O08 | C07 | H6 | 60.6° | 60.0° |
| P09 | O08 | C07 | H7 | 60.6° | 60.0° |
| O08 | P09 | O11 | H8 | 121.1° | 179.9° |
| O08 | P09 | O12 | H9 | 124.5° | 60.0° |
| O08 | C07 | C06 | C05 | 85.7° | 90.1° |
| O08 | C07 | C06 | H6 | 119.4° | 120.0° |
| O08 | C07 | C06 | H7 | 119.4° | 120.0° |
| O08 | C07 | C06 | C13 | 93.1° | 90.0° |
| O08 | C07 | H6 | H7 | 121.8° | 120.0° |
| O04 | C03 | C05 | C02 | 179.9° | 180.0° |
| O04 | C03 | C05 | C06 | 179.7° | 180.0° |
| O04 | C03 | C02 | C01 | 0.6° | 0.0° |
| O04 | C03 | C02 | N14 | 179.6° | 179.7° |
| O04 | C03 | C05 | H5 | 0.3° | 0.0° |
| C03 | C05 | C06 | H5 | 180.0° | 180.0° |
| C03 | C05 | C06 | C07 | 179.1° | 180.0° |
| C03 | C05 | C06 | C13 | 0.3° | 0.1° |
| C05 | C03 | C02 | C01 | 179.6° | 179.9° |
| C05 | C03 | C02 | N14 | 0.2° | 0.3° |
| C05 | C03 | O04 | H4 | 180.0° | 90.0° |
| C05 | C06 | C07 | C13 | 178.8° | 179.9° |
| C06 | C05 | C03 | C02 | 0.1° | 0.1° |
| C05 | C06 | C13 | N14 | 0.6° | 0.3° |
| C05 | C06 | C07 | H6 | 33.7° | 150.0° |
| C05 | C06 | C07 | H7 | 154.9° | 29.9° |
| C05 | C06 | C13 | H10 | 179.4° | 180.0° |
| C07 | C06 | C13 | N14 | 179.4° | 179.7° |
| C07 | C06 | C05 | H5 | 0.9° | 0.0° |
| C06 | C07 | H6 | H7 | 121.8° | 120.0° |
| C07 | C06 | C13 | H10 | 0.6° | 0.1° |
| C03 | C02 | C01 | N14 | 179.8° | 179.8° |
| C03 | C02 | N14 | C13 | 0.5° | 0.5° |
| C03 | C02 | C01 | H1 | 179.8° | 89.7° |
| C03 | C02 | C01 | H2 | 59.8° | 30.2° |
| C03 | C02 | C01 | H3 | 60.2° | 150.2° |
| C02 | C03 | O04 | H4 | 0.2° | 90.0° |
| C02 | C03 | C05 | H5 | 179.9° | 180.0° |
| C06 | C13 | N14 | C02 | 0.7° | 0.6° |
| C06 | C13 | N14 | H10 | 180.0° | 179.7° |
| C13 | C06 | C05 | H5 | 179.7° | 180.0° |
| C13 | C06 | C07 | H6 | 147.5° | 30.0° |
| C13 | C06 | C07 | H7 | 26.3° | 150.0° |
| C01 | C02 | N14 | C13 | 179.3° | 179.7° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| N14 | C02 | C01 | H1 | 0.0° | 90.1° |
| N14 | C02 | C01 | H2 | 120.0° | 150.0° |
| N14 | C02 | C01 | H3 | 120.0° | 30.0° |
| C02 | N14 | C13 | H10 | 179.3° | 179.8° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
