RIS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | P9 | sing | 1.62Å | 1.52Å | |
| O12 | H12 | sing | 0.98Å | 0.95Å | |
| P9 | O11 | doub | 1.50Å | 1.68Å | |
| P9 | O10 | sing | 1.62Å | 1.66Å | |
| P9 | C8 | sing | 1.85Å | 1.75Å | |
| C8 | O13 | sing | 1.43Å | 1.44Å | |
| C8 | P14 | sing | 1.83Å | 1.75Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| P14 | O16 | sing | 1.62Å | 1.51Å | |
| P14 | O15 | sing | 1.62Å | 1.67Å | |
| P14 | O17 | doub | 1.50Å | 1.68Å | |
| O16 | H16 | sing | 0.98Å | 0.95Å | |
| O15 | H15 | sing | 0.98Å | 0.95Å | |
| C7 | C2 | sing | 1.51Å | 1.51Å | |
| C7 | HC71 | sing | 1.10Å | 1.11Å | |
| C7 | HC72 | sing | 1.10Å | 1.12Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C5 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| N4 | C3 | doub | 1.35Å | 1.34Å | Aromatic |
| C3 | HC3 | sing | 1.09Å | 1.10Å | |
| HO1 | O10 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P9 | O12 | H12 | 110.6° | 118.9° |
| O12 | P9 | O11 | 110.6° | 115.3° |
| O12 | P9 | O10 | 109.4° | 103.4° |
| O12 | P9 | C8 | 109.7° | 102.9° |
| O11 | P9 | O10 | 109.7° | 115.0° |
| O11 | P9 | C8 | 108.4° | 114.7° |
| O10 | P9 | C8 | 109.0° | 104.0° |
| P9 | O10 | HO1 | 109.5° | 119.0° |
| P9 | C8 | O13 | 107.8° | 100.9° |
| P9 | C8 | P14 | 110.8° | 120.9° |
| P9 | C8 | C7 | 105.2° | 107.2° |
| O13 | C8 | P14 | 110.2° | 103.7° |
| O13 | C8 | C7 | 111.6° | 109.4° |
| C8 | O13 | H13 | 107.8° | 108.1° |
| P14 | C8 | C7 | 111.1° | 113.5° |
| C8 | P14 | O16 | 107.6° | 103.3° |
| C8 | P14 | O15 | 108.1° | 103.8° |
| C8 | P14 | O17 | 113.6° | 115.5° |
| C8 | C7 | C2 | 119.0° | 116.8° |
| C8 | C7 | HC71 | 108.8° | 108.4° |
| C8 | C7 | HC72 | 108.8° | 109.5° |
| O16 | P14 | O15 | 111.6° | 103.0° |
| O16 | P14 | O17 | 108.3° | 115.3° |
| P14 | O16 | H16 | 107.6° | 118.9° |
| O15 | P14 | O17 | 107.7° | 114.4° |
| P14 | O15 | H15 | 108.1° | 118.9° |
| C2 | C7 | HC71 | 108.8° | 108.7° |
| C2 | C7 | HC72 | 108.8° | 107.4° |
| C7 | C2 | C1 | 116.6° | 120.3° |
| C7 | C2 | C3 | 124.9° | 120.4° |
| HC71 | C7 | HC72 | 101.3° | 105.5° |
| C1 | C2 | C3 | 118.5° | 119.3° |
| C2 | C1 | C6 | 119.9° | 119.0° |
| C2 | C1 | HC1 | 120.0° | 121.4° |
| C2 | C3 | N4 | 120.7° | 123.4° |
| C2 | C3 | HC3 | 121.4° | 121.9° |
| C6 | C1 | HC1 | 120.1° | 119.6° |
| C1 | C6 | C5 | 118.7° | 117.9° |
| C1 | C6 | HC6 | 121.0° | 121.0° |
| C5 | C6 | HC6 | 120.3° | 121.1° |
| C6 | C5 | N4 | 120.8° | 124.0° |
| C6 | C5 | HC5 | 121.2° | 120.8° |
| N4 | C5 | HC5 | 118.0° | 115.2° |
| C5 | N4 | C3 | 121.4° | 116.4° |
| N4 | C3 | HC3 | 117.8° | 114.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | P9 | O11 | O10 | 120.7° | 120.2° |
| O12 | P9 | O11 | C8 | 120.4° | 119.2° |
| O12 | P9 | O10 | C8 | 120.0° | 107.2° |
| O12 | P9 | C8 | O13 | 178.1° | 179.6° |
| O12 | P9 | C8 | P14 | 61.2° | 66.3° |
| O12 | P9 | C8 | C7 | 58.9° | 65.9° |
| O12 | P9 | O10 | HO1 | 138.0° | 74.7° |
| H12 | O12 | P9 | O11 | 180.0° | 51.8° |
| H12 | O12 | P9 | O10 | 59.1° | 74.5° |
| H12 | O12 | P9 | C8 | 60.4° | 177.4° |
| O11 | P9 | O10 | C8 | 118.5° | 126.3° |
| O11 | P9 | C8 | O13 | 61.0° | 54.4° |
| O11 | P9 | C8 | P14 | 59.7° | 167.8° |
| O11 | P9 | C8 | C7 | 179.8° | 60.0° |
| O11 | P9 | O10 | HO1 | 16.5° | 51.8° |
| O10 | P9 | C8 | O13 | 58.4° | 72.0° |
| O10 | P9 | C8 | P14 | 179.1° | 41.3° |
| O10 | P9 | C8 | C7 | 60.8° | 173.5° |
| P9 | C8 | O13 | P14 | 121.1° | 125.8° |
| P9 | C8 | O13 | C7 | 115.0° | 112.7° |
| P9 | C8 | P14 | C7 | 116.5° | 129.5° |
| P9 | C8 | O13 | H13 | 180.0° | 175.2° |
| P9 | C8 | P14 | O16 | 57.7° | 62.7° |
| P9 | C8 | P14 | O15 | 63.0° | 44.5° |
| P9 | C8 | P14 | O17 | 177.6° | 170.5° |
| P9 | C8 | C7 | C2 | 175.4° | 168.6° |
| P9 | C8 | C7 | HC71 | 50.1° | 68.2° |
| P9 | C8 | C7 | HC72 | 59.4° | 46.3° |
| C8 | P9 | O10 | HO1 | 102.0° | 178.0° |
| O13 | C8 | P14 | C7 | 124.2° | 118.7° |
| O13 | C8 | P14 | O16 | 61.6° | 174.6° |
| O13 | C8 | P14 | O15 | 177.8° | 67.3° |
| O13 | C8 | P14 | O17 | 58.3° | 58.6° |
| O13 | C8 | C7 | C2 | 58.8° | 60.0° |
| O13 | C8 | C7 | HC71 | 66.5° | 176.8° |
| O13 | C8 | C7 | HC72 | 176.0° | 62.2° |
| P14 | C8 | O13 | H13 | 58.9° | 49.4° |
| C8 | P14 | O16 | O15 | 118.4° | 107.8° |
| C8 | P14 | O16 | O17 | 123.2° | 126.9° |
| C8 | P14 | O15 | O17 | 123.2° | 126.7° |
| C8 | P14 | O16 | H16 | 180.0° | 177.7° |
| C8 | P14 | O15 | H15 | 180.0° | 178.1° |
| P14 | C8 | C7 | C2 | 64.7° | 55.3° |
| P14 | C8 | C7 | HC71 | 170.1° | 67.9° |
| P14 | C8 | C7 | HC72 | 60.6° | 177.5° |
| C7 | C8 | O13 | H13 | 65.0° | 72.1° |
| C7 | C8 | P14 | O16 | 174.2° | 66.7° |
| C7 | C8 | P14 | O15 | 53.6° | 174.0° |
| C7 | C8 | P14 | O17 | 65.9° | 60.0° |
| C8 | C7 | C2 | HC71 | 125.3° | 123.0° |
| C8 | C7 | C2 | HC72 | 125.2° | 123.4° |
| C8 | C7 | HC71 | HC72 | 114.5° | 117.2° |
| C8 | C7 | C2 | C1 | 153.2° | 90.0° |
| C8 | C7 | C2 | C3 | 27.8° | 90.0° |
| O16 | P14 | O15 | O17 | 118.8° | 125.9° |
| O16 | P14 | O15 | H15 | 61.9° | 74.5° |
| O15 | P14 | O16 | H16 | 61.6° | 74.5° |
| O17 | P14 | O16 | H16 | 56.8° | 50.8° |
| O17 | P14 | O15 | H15 | 56.9° | 51.4° |
| C2 | C7 | HC71 | HC72 | 114.5° | 114.9° |
| C7 | C2 | C1 | C3 | 179.1° | 180.0° |
| C7 | C2 | C1 | C6 | 179.3° | 180.0° |
| C7 | C2 | C1 | HC1 | 0.7° | 0.1° |
| C7 | C2 | C3 | N4 | 179.2° | 180.0° |
| C7 | C2 | C3 | HC3 | 0.8° | 0.0° |
| HC71 | C7 | C2 | C1 | 81.5° | 146.9° |
| HC71 | C7 | C2 | C3 | 97.5° | 33.0° |
| HC72 | C7 | C2 | C1 | 28.0° | 33.3° |
| HC72 | C7 | C2 | C3 | 153.0° | 146.6° |
| C2 | C1 | C6 | HC1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | HC6 | 180.0° | 180.0° |
| C1 | C2 | C3 | N4 | 0.2° | 0.0° |
| C1 | C2 | C3 | HC3 | 179.8° | 179.9° |
| C3 | C2 | C1 | C6 | 0.2° | 0.0° |
| C3 | C2 | C1 | HC1 | 179.8° | 180.0° |
| C2 | C3 | N4 | C5 | 0.1° | 0.1° |
| C2 | C3 | N4 | HC3 | 180.0° | 180.0° |
| C1 | C6 | C5 | HC6 | 180.0° | 180.0° |
| C1 | C6 | C5 | N4 | 0.1° | 0.0° |
| C1 | C6 | C5 | HC5 | 179.8° | 180.0° |
| HC1 | C1 | C6 | C5 | 180.0° | 180.0° |
| HC1 | C1 | C6 | HC6 | 0.0° | 0.0° |
| C6 | C5 | N4 | HC5 | 180.0° | 180.0° |
| C6 | C5 | N4 | C3 | 0.1° | 0.1° |
| HC6 | C6 | C5 | N4 | 179.8° | 180.0° |
| HC6 | C6 | C5 | HC5 | 0.2° | 0.0° |
| C5 | N4 | C3 | HC3 | 179.9° | 179.9° |
| HC5 | C5 | N4 | C3 | 179.9° | 179.9° |
