DS0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | P8 | sing | 1.61Å | 1.51Å | |
| P8 | O9 | doub | 1.48Å | 1.52Å | |
| P8 | O10 | sing | 1.61Å | 1.53Å | |
| P8 | O7 | sing | 1.61Å | 1.61Å | |
| O7 | C3 | sing | 1.35Å | 1.45Å | |
| C3 | N2 | doub | 1.28Å | 1.32Å | |
| C3 | C4 | sing | 1.52Å | 1.48Å | |
| N2 | O1 | sing | 1.41Å | 1.27Å | |
| O1 | C5 | sing | 1.44Å | 1.43Å | |
| C5 | C4 | sing | 1.55Å | 1.52Å | |
| C4 | N6 | sing | 1.47Å | 1.46Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| N6 | H61N | sing | 1.01Å | 1.00Å | |
| N6 | H62N | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | P8 | O9 | 117.2° | 109.5° |
| O11 | P8 | O10 | 112.6° | 109.5° |
| O11 | P8 | O7 | 105.6° | 109.4° |
| P8 | O11 | H11 | 109.5° | 114.0° |
| O9 | P8 | O10 | 116.1° | 109.5° |
| O9 | P8 | O7 | 97.4° | 109.5° |
| O10 | P8 | O7 | 105.3° | 109.5° |
| P8 | O10 | H10 | 109.5° | 114.0° |
| P8 | O7 | C3 | 121.7° | 114.0° |
| O7 | C3 | N2 | 125.3° | 125.8° |
| O7 | C3 | C4 | 124.0° | 125.8° |
| N2 | C3 | C4 | 110.7° | 108.4° |
| C3 | N2 | O1 | 111.1° | 113.2° |
| C3 | C4 | C5 | 101.4° | 102.4° |
| C3 | C4 | N6 | 108.9° | 110.8° |
| C3 | C4 | H4 | 111.6° | 110.8° |
| N2 | O1 | C5 | 113.8° | 107.5° |
| O1 | C5 | C4 | 102.8° | 101.5° |
| O1 | C5 | H51C | 111.1° | 111.0° |
| O1 | C5 | H52C | 111.1° | 111.0° |
| C5 | C4 | N6 | 111.5° | 110.9° |
| C5 | C4 | H4 | 111.0° | 110.7° |
| C4 | C5 | H51C | 111.1° | 111.2° |
| C4 | C5 | H52C | 111.1° | 110.9° |
| N6 | C4 | H4 | 112.0° | 110.9° |
| C4 | N6 | H61N | 109.5° | 111.0° |
| C4 | N6 | H62N | 109.5° | 111.0° |
| H51C | C5 | H52C | 109.5° | 110.9° |
| H61N | N6 | H62N | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | P8 | O9 | O10 | 137.1° | 120.0° |
| O11 | P8 | O9 | O7 | 111.8° | 120.0° |
| O11 | P8 | O10 | O7 | 114.6° | 120.0° |
| O11 | P8 | O7 | C3 | 51.4° | 65.0° |
| O11 | P8 | O10 | H10 | 139.1° | 60.0° |
| O9 | P8 | O10 | O7 | 106.4° | 120.0° |
| O9 | P8 | O7 | C3 | 172.4° | 55.0° |
| O9 | P8 | O11 | H11 | 0.0° | 180.0° |
| O9 | P8 | O10 | H10 | 0.0° | 60.0° |
| O10 | P8 | O7 | C3 | 67.9° | 175.0° |
| O10 | P8 | O11 | H11 | 138.5° | 60.0° |
| P8 | O7 | C3 | N2 | 160.0° | 0.0° |
| P8 | O7 | C3 | C4 | 19.9° | 179.7° |
| O7 | P8 | O11 | H11 | 107.1° | 60.0° |
| O7 | P8 | O10 | H10 | 106.4° | 180.0° |
| O7 | C3 | N2 | C4 | 179.9° | 179.7° |
| O7 | C3 | N2 | O1 | 176.6° | 179.7° |
| O7 | C3 | C4 | C5 | 176.5° | 164.6° |
| O7 | C3 | C4 | N6 | 65.8° | 77.1° |
| O7 | C3 | C4 | H4 | 58.3° | 46.5° |
| C3 | N2 | O1 | C5 | 1.8° | 17.4° |
| N2 | C3 | C4 | C5 | 3.4° | 15.6° |
| N2 | C3 | C4 | N6 | 114.3° | 102.7° |
| N2 | C3 | C4 | H4 | 121.6° | 133.8° |
| C4 | C3 | N2 | O1 | 3.4° | 0.1° |
| C3 | C4 | C5 | O1 | 2.2° | 24.3° |
| C3 | C4 | C5 | N6 | 115.8° | 118.3° |
| C3 | C4 | C5 | H4 | 118.6° | 118.1° |
| C3 | C4 | N6 | H4 | 123.9° | 123.5° |
| C3 | C4 | C5 | H51C | 116.8° | 93.8° |
| C3 | C4 | C5 | H52C | 121.1° | 142.3° |
| C3 | C4 | N6 | H61N | 180.0° | 61.5° |
| C3 | C4 | N6 | H62N | 60.0° | 174.6° |
| N2 | O1 | C5 | C4 | 0.5° | 25.3° |
| N2 | O1 | C5 | H51C | 118.4° | 92.9° |
| N2 | O1 | C5 | H52C | 119.4° | 143.2° |
| O1 | C5 | C4 | H51C | 118.9° | 118.1° |
| O1 | C5 | C4 | H52C | 118.9° | 118.0° |
| O1 | C5 | C4 | N6 | 113.6° | 94.0° |
| O1 | C5 | C4 | H4 | 120.8° | 142.4° |
| O1 | C5 | H51C | H52C | 123.1° | 123.9° |
| C5 | C4 | N6 | H4 | 125.0° | 123.5° |
| C4 | C5 | H51C | H52C | 123.1° | 123.9° |
| C5 | C4 | N6 | H61N | 68.9° | 174.5° |
| C5 | C4 | N6 | H62N | 51.1° | 61.6° |
| N6 | C4 | C5 | H51C | 127.5° | 147.9° |
| N6 | C4 | C5 | H52C | 5.3° | 24.0° |
| C4 | N6 | H61N | H62N | 120.0° | 123.9° |
| H4 | C4 | C5 | H51C | 1.9° | 24.3° |
| H4 | C4 | C5 | H52C | 120.2° | 99.5° |
| H4 | C4 | N6 | H61N | 56.1° | 62.0° |
| H4 | C4 | N6 | H62N | 176.1° | 61.9° |
