A0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | P8 | doub | 1.48Å | 1.52Å | |
| O13 | P8 | sing | 1.61Å | 1.54Å | |
| O11 | C10 | doub | 1.21Å | 1.24Å | |
| P8 | O9 | sing | 1.61Å | 1.51Å | |
| P8 | O4 | sing | 1.61Å | 1.63Å | |
| C10 | O12 | sing | 1.35Å | 1.26Å | |
| C10 | C7 | sing | 1.47Å | 1.48Å | |
| O4 | B1 | sing | 1.42Å | 1.43Å | |
| C6 | C7 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | N5 | sing | 1.35Å | 1.32Å | Aromatic |
| C7 | N8 | sing | 1.34Å | 1.35Å | Aromatic |
| N5 | C1 | sing | 1.46Å | 1.46Å | |
| N5 | N9 | sing | 1.40Å | 1.36Å | Aromatic |
| B1 | O2 | sing | 1.42Å | 1.52Å | |
| B1 | C1 | sing | 1.57Å | 1.60Å | |
| N8 | N9 | doub | 1.29Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| O13 | H3 | sing | 0.97Å | 0.95Å | |
| O9 | H4 | sing | 0.97Å | 0.95Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O12 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | P8 | O13 | 112.8° | 109.5° |
| O10 | P8 | O9 | 110.2° | 109.5° |
| O10 | P8 | O4 | 103.9° | 109.4° |
| O13 | P8 | O9 | 114.5° | 109.5° |
| O13 | P8 | O4 | 104.8° | 109.5° |
| P8 | O13 | H3 | 109.5° | 114.1° |
| O11 | C10 | O12 | 124.7° | 120.0° |
| O11 | C10 | C7 | 116.9° | 120.0° |
| O9 | P8 | O4 | 109.9° | 109.5° |
| P8 | O9 | H4 | 109.5° | 113.9° |
| P8 | O4 | B1 | 137.0° | 114.0° |
| O12 | C10 | C7 | 118.4° | 120.0° |
| C10 | O12 | H7 | 109.5° | 116.9° |
| C10 | C7 | C6 | 126.3° | 125.8° |
| C10 | C7 | N8 | 122.6° | 125.7° |
| O4 | B1 | O2 | 92.8° | 120.0° |
| O4 | B1 | C1 | 117.0° | 120.0° |
| C7 | C6 | N5 | 106.3° | 106.9° |
| C6 | C7 | N8 | 111.1° | 108.5° |
| C7 | C6 | H6 | 126.9° | 126.6° |
| C6 | N5 | C1 | 136.5° | 126.6° |
| C6 | N5 | N9 | 107.9° | 106.8° |
| N5 | C6 | H6 | 126.9° | 126.6° |
| C7 | N8 | N9 | 103.2° | 109.5° |
| C1 | N5 | N9 | 115.4° | 126.6° |
| N5 | C1 | B1 | 114.6° | 109.5° |
| N5 | C1 | H1 | 108.2° | 109.5° |
| N5 | C1 | H2 | 108.2° | 109.4° |
| N5 | N9 | N8 | 111.4° | 108.4° |
| O2 | B1 | C1 | 112.7° | 120.0° |
| B1 | O2 | H5 | 109.5° | 114.1° |
| B1 | C1 | H1 | 108.2° | 109.5° |
| B1 | C1 | H2 | 108.2° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | P8 | O13 | O9 | 127.0° | 120.0° |
| O10 | P8 | O13 | O4 | 112.4° | 120.0° |
| O10 | P8 | O9 | O4 | 114.0° | 120.0° |
| O10 | P8 | O4 | B1 | 158.2° | 60.1° |
| O10 | P8 | O13 | H3 | 0.0° | 60.0° |
| O10 | P8 | O9 | H4 | 0.0° | 180.0° |
| O13 | P8 | O9 | O4 | 117.7° | 120.0° |
| O13 | P8 | O4 | B1 | 83.2° | 180.0° |
| O13 | P8 | O9 | H4 | 128.4° | 60.0° |
| O11 | C10 | O12 | C7 | 178.5° | 180.0° |
| O11 | C10 | C7 | C6 | 19.0° | 0.3° |
| O11 | C10 | C7 | N8 | 159.3° | 180.0° |
| O11 | C10 | O12 | H7 | 0.0° | 0.0° |
| O9 | P8 | O4 | B1 | 40.3° | 59.9° |
| O9 | P8 | O13 | H3 | 127.0° | 60.0° |
| P8 | O4 | B1 | O2 | 179.2° | 0.1° |
| P8 | O4 | B1 | C1 | 61.9° | 180.0° |
| O4 | P8 | O13 | H3 | 112.5° | 180.0° |
| O4 | P8 | O9 | H4 | 114.0° | 60.0° |
| O12 | C10 | C7 | C6 | 162.4° | 179.7° |
| O12 | C10 | C7 | N8 | 19.3° | 0.0° |
| C10 | C7 | C6 | N8 | 178.4° | 179.8° |
| C10 | C7 | C6 | N5 | 180.0° | 179.8° |
| C10 | C7 | N8 | N9 | 177.7° | 180.0° |
| C10 | C7 | C6 | H6 | 0.0° | 0.3° |
| C7 | C10 | O12 | H7 | 178.5° | 180.0° |
| O4 | B1 | C1 | N5 | 58.8° | 180.0° |
| O4 | B1 | O2 | C1 | 120.9° | 179.9° |
| O4 | B1 | C1 | H1 | 179.5° | 59.9° |
| O4 | B1 | C1 | H2 | 62.0° | 60.1° |
| O4 | B1 | O2 | H5 | 180.0° | 180.0° |
| C7 | C6 | N5 | H6 | 180.0° | 179.5° |
| C7 | C6 | N5 | C1 | 177.5° | 179.9° |
| C7 | C6 | N5 | N9 | 3.3° | 0.4° |
| C6 | C7 | N8 | N9 | 0.8° | 0.3° |
| N5 | C6 | C7 | N8 | 1.6° | 0.4° |
| C6 | N5 | C1 | N9 | 173.9° | 179.7° |
| C6 | N5 | C1 | B1 | 41.3° | 90.3° |
| C6 | N5 | N9 | N8 | 4.0° | 0.2° |
| C6 | N5 | C1 | H1 | 162.0° | 149.6° |
| C6 | N5 | C1 | H2 | 79.5° | 29.7° |
| C7 | N8 | N9 | N5 | 2.9° | 0.0° |
| N8 | C7 | C6 | H6 | 178.4° | 180.0° |
| N5 | C1 | B1 | O2 | 47.0° | 0.1° |
| N5 | C1 | B1 | H1 | 120.7° | 120.1° |
| N5 | C1 | B1 | H2 | 120.8° | 119.9° |
| C1 | N5 | N9 | N8 | 179.6° | 180.0° |
| N5 | C1 | H1 | H2 | 117.7° | 119.9° |
| C1 | N5 | C6 | H6 | 2.6° | 0.3° |
| N9 | N5 | C1 | B1 | 144.9° | 90.0° |
| N9 | N5 | C1 | H1 | 24.1° | 30.0° |
| N9 | N5 | C1 | H2 | 94.4° | 150.0° |
| N9 | N5 | C6 | H6 | 176.7° | 179.9° |
| O2 | B1 | C1 | H1 | 73.7° | 120.0° |
| O2 | B1 | C1 | H2 | 167.8° | 120.0° |
| B1 | C1 | H1 | H2 | 117.7° | 120.0° |
| C1 | B1 | O2 | H5 | 59.1° | 0.0° |
