EOW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.48Å | 1.53Å | |
| C6 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| P | O3P | sing | 1.61Å | 1.49Å | |
| P | O4P | sing | 1.61Å | 1.60Å | |
| P | O1P | sing | 1.61Å | 1.54Å | |
| C5A | O4P | sing | 1.43Å | 1.46Å | |
| C5A | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.48Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.39Å | 1.47Å | Aromatic |
| C2A | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C7 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.39Å | 1.47Å | Aromatic |
| C4 | C4A | sing | 1.51Å | 1.46Å | |
| C3 | O3 | sing | 1.36Å | 1.35Å | |
| C7 | C8 | trip | 1.17Å | 1.28Å | |
| O3P | H1 | sing | 0.97Å | 0.95Å | |
| O1P | H2 | sing | 0.97Å | 0.95Å | |
| C5A | H3 | sing | 1.09Å | 1.10Å | |
| C5A | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C4A | H6 | sing | 1.09Å | 1.10Å | |
| C4A | H7 | sing | 1.09Å | 1.10Å | |
| C4A | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C2A | H10 | sing | 1.09Å | 1.10Å | |
| C2A | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.05Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O3P | 112.2° | 109.5° |
| O2P | P | O4P | 107.8° | 109.5° |
| O2P | P | O1P | 106.6° | 109.5° |
| N1 | C6 | C5 | 122.4° | 120.9° |
| C6 | N1 | C2 | 124.7° | 121.8° |
| N1 | C6 | H5 | 118.8° | 119.5° |
| C6 | C5 | C5A | 119.3° | 120.4° |
| C6 | C5 | C4 | 117.6° | 119.2° |
| C5 | C6 | H5 | 118.8° | 119.6° |
| N1 | C2 | C2A | 119.7° | 119.7° |
| N1 | C2 | C3 | 118.8° | 120.6° |
| O3P | P | O4P | 106.5° | 109.5° |
| O3P | P | O1P | 113.7° | 109.5° |
| P | O3P | H1 | 109.5° | 114.0° |
| O4P | P | O1P | 109.9° | 109.5° |
| P | O4P | C5A | 119.8° | 123.0° |
| P | O1P | H2 | 109.5° | 114.0° |
| O4P | C5A | C5 | 109.2° | 109.5° |
| O4P | C5A | H3 | 109.5° | 109.4° |
| O4P | C5A | H4 | 109.5° | 109.5° |
| C5A | C5 | C4 | 123.0° | 120.4° |
| C5 | C5A | H3 | 109.5° | 109.4° |
| C5 | C5A | H4 | 109.5° | 109.5° |
| C5 | C4 | C3 | 118.3° | 118.4° |
| C5 | C4 | C4A | 121.2° | 120.8° |
| C2A | C2 | C3 | 121.4° | 119.7° |
| C2 | C2A | C1 | 118.3° | 109.5° |
| C2 | C2A | H10 | 107.2° | 109.4° |
| C2 | C2A | H11 | 107.2° | 109.4° |
| C2 | C3 | C4 | 117.9° | 119.0° |
| C2 | C3 | O3 | 120.7° | 120.5° |
| C2A | C1 | C7 | 107.6° | 109.5° |
| C1 | C2A | H10 | 107.2° | 109.5° |
| C1 | C2A | H11 | 107.2° | 109.5° |
| C2A | C1 | H12 | 110.0° | 109.5° |
| C2A | C1 | H13 | 110.0° | 109.5° |
| C1 | C7 | C8 | 179.7° | 180.0° |
| C7 | C1 | H12 | 109.9° | 109.5° |
| C7 | C1 | H13 | 109.9° | 109.5° |
| C3 | C4 | C4A | 119.5° | 120.8° |
| C4 | C3 | O3 | 121.2° | 120.5° |
| C4 | C4A | H6 | 109.5° | 109.5° |
| C4 | C4A | H7 | 109.4° | 109.5° |
| C4 | C4A | H8 | 109.5° | 109.5° |
| C3 | O3 | H9 | 109.5° | 114.0° |
| C7 | C8 | H14 | 180.0° | 180.0° |
| H3 | C5A | H4 | 109.5° | 109.5° |
| H6 | C4A | H7 | 109.5° | 109.5° |
| H6 | C4A | H8 | 109.4° | 109.5° |
| H7 | C4A | H8 | 109.5° | 109.4° |
| H10 | C2A | H11 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O3P | O4P | 117.7° | 120.0° |
| O2P | P | O3P | O1P | 121.1° | 120.0° |
| O2P | P | O4P | O1P | 115.7° | 120.0° |
| O2P | P | O4P | C5A | 47.6° | 55.0° |
| O2P | P | O3P | H1 | 0.0° | 179.9° |
| O2P | P | O1P | H2 | 0.0° | 60.0° |
| N1 | C6 | C5 | H5 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5A | 179.3° | 180.0° |
| N1 | C6 | C5 | C4 | 2.7° | 0.3° |
| C6 | N1 | C2 | C2A | 178.8° | 180.0° |
| C6 | N1 | C2 | C3 | 3.1° | 0.3° |
| C5 | C6 | N1 | C2 | 2.1° | 0.0° |
| C6 | C5 | C5A | O4P | 105.1° | 0.2° |
| C6 | C5 | C5A | C4 | 176.4° | 179.7° |
| C6 | C5 | C4 | C3 | 4.6° | 0.2° |
| C6 | C5 | C4 | C4A | 173.5° | 179.7° |
| C6 | C5 | C5A | H3 | 135.0° | 119.7° |
| C6 | C5 | C5A | H4 | 14.9° | 120.3° |
| N1 | C2 | C2A | C3 | 175.6° | 179.7° |
| N1 | C2 | C2A | C1 | 122.6° | 89.9° |
| N1 | C2 | C3 | C4 | 4.9° | 0.3° |
| N1 | C2 | C3 | O3 | 179.4° | 179.7° |
| C2 | N1 | C6 | H5 | 177.9° | 180.0° |
| N1 | C2 | C2A | H10 | 116.1° | 150.0° |
| N1 | C2 | C2A | H11 | 1.4° | 30.0° |
| O3P | P | O4P | O1P | 123.6° | 120.0° |
| O3P | P | O4P | C5A | 168.3° | 65.0° |
| O3P | P | O1P | H2 | 124.2° | 60.0° |
| P | O4P | C5A | C5 | 178.4° | 180.0° |
| O4P | P | O3P | H1 | 117.7° | 60.1° |
| O4P | P | O1P | H2 | 116.5° | 180.0° |
| P | O4P | C5A | H3 | 61.6° | 60.1° |
| P | O4P | C5A | H4 | 58.4° | 60.0° |
| O1P | P | O4P | C5A | 68.1° | 175.0° |
| O1P | P | O3P | H1 | 121.1° | 60.0° |
| O4P | C5A | C5 | H3 | 119.9° | 119.9° |
| O4P | C5A | C5 | H4 | 120.0° | 120.0° |
| O4P | C5A | C5 | C4 | 71.3° | 180.0° |
| O4P | C5A | H3 | H4 | 120.1° | 120.0° |
| C5A | C5 | C4 | C3 | 179.0° | 180.0° |
| C5A | C5 | C4 | C4A | 10.1° | 0.0° |
| C5 | C5A | H3 | H4 | 120.1° | 120.0° |
| C5A | C5 | C6 | H5 | 0.6° | 0.0° |
| C5 | C4 | C3 | C2 | 5.6° | 0.1° |
| C5 | C4 | C3 | C4A | 169.1° | 180.0° |
| C5 | C4 | C3 | O3 | 178.7° | 180.0° |
| C4 | C5 | C5A | H3 | 48.6° | 60.1° |
| C4 | C5 | C5A | H4 | 168.7° | 60.0° |
| C4 | C5 | C6 | H5 | 177.2° | 179.8° |
| C5 | C4 | C4A | H6 | 84.2° | 90.0° |
| C5 | C4 | C4A | H7 | 155.8° | 150.0° |
| C5 | C4 | C4A | H8 | 35.8° | 30.0° |
| C2 | C2A | C1 | H10 | 121.3° | 120.0° |
| C2 | C2A | C1 | H11 | 121.3° | 119.9° |
| C2 | C2A | C1 | C7 | 147.1° | 180.0° |
| C2A | C2 | C3 | C4 | 179.5° | 180.0° |
| C2A | C2 | C3 | O3 | 3.8° | 0.0° |
| C2 | C2A | H10 | H11 | 116.0° | 120.0° |
| C2 | C2A | C1 | H12 | 93.2° | 59.9° |
| C2 | C2A | C1 | H13 | 27.4° | 60.0° |
| C3 | C2 | C2A | C1 | 61.7° | 89.8° |
| C2 | C3 | C4 | O3 | 175.7° | 180.0° |
| C2 | C3 | C4 | C4A | 174.7° | 180.0° |
| C2 | C3 | O3 | H9 | 180.0° | 90.0° |
| C3 | C2 | C2A | H10 | 59.5° | 30.3° |
| C3 | C2 | C2A | H11 | 177.0° | 150.3° |
| C2A | C1 | C7 | H12 | 119.7° | 120.1° |
| C2A | C1 | C7 | H13 | 119.7° | 120.0° |
| C2A | C1 | C7 | C8 | 23.0° | 107.8° |
| C1 | C2A | H10 | H11 | 116.0° | 120.0° |
| C2A | C1 | H12 | H13 | 120.9° | 120.0° |
| C7 | C1 | C2A | H10 | 25.9° | 60.0° |
| C7 | C1 | C2A | H11 | 91.6° | 60.1° |
| C7 | C1 | H12 | H13 | 120.8° | 120.0° |
| C1 | C7 | C8 | H14 | 49.2° | 89.7° |
| C3 | C4 | C4A | H6 | 84.6° | 90.0° |
| C3 | C4 | C4A | H7 | 35.4° | 30.0° |
| C3 | C4 | C4A | H8 | 155.4° | 150.0° |
| C4 | C3 | O3 | H9 | 4.4° | 90.0° |
| C4A | C4 | C3 | O3 | 9.6° | 0.0° |
| C4 | C4A | H6 | H7 | 120.0° | 120.0° |
| C4 | C4A | H6 | H8 | 120.0° | 120.0° |
| C4 | C4A | H7 | H8 | 120.0° | 120.0° |
| C8 | C7 | C1 | H12 | 96.7° | 12.3° |
| C8 | C7 | C1 | H13 | 142.8° | 132.2° |
| H6 | C4A | H7 | H8 | 120.0° | 120.0° |
| H10 | C2A | C1 | H12 | 145.6° | 179.9° |
| H10 | C2A | C1 | H13 | 93.8° | 60.0° |
| H11 | C2A | C1 | H12 | 28.1° | 60.0° |
| H11 | C2A | C1 | H13 | 148.7° | 179.9° |
