00A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O2P | sing | 1.61Å | 1.53Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O5' | P | sing | 1.61Å | 1.63Å | |
| P | O1P | doub | 1.48Å | 1.54Å | |
| P | O3P | sing | 1.61Å | 1.68Å | |
| CC | O3P | sing | 1.35Å | 1.51Å | |
| O2 | CC | doub | 1.22Å | 1.25Å | |
| CC | C1C | sing | 1.48Å | 1.52Å | |
| C6C | C1C | doub | 1.40Å | 1.41Å | Aromatic |
| C1C | C2C | sing | 1.40Å | 1.41Å | Aromatic |
| C2C | C3C | doub | 1.38Å | 1.42Å | Aromatic |
| C2C | H2C | sing | 1.08Å | 1.08Å | |
| C4C | C3C | sing | 1.39Å | 1.40Å | Aromatic |
| C3C | H3C | sing | 1.08Å | 1.08Å | |
| C5C | C4C | doub | 1.39Å | 1.43Å | Aromatic |
| C4C | CL4A | sing | 1.74Å | 1.85Å | |
| C6C | C5C | sing | 1.38Å | 1.41Å | Aromatic |
| C5C | H5C | sing | 1.08Å | 1.08Å | |
| C6C | H6C | sing | 1.08Å | 1.08Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.54Å | 1.51Å | |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.50Å | |
| C1' | O4' | sing | 1.45Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.49Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C2 | N1 | doub | 1.32Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O2P | HO2P | 109.5° | 114.0° |
| O2P | P | O5' | 110.3° | 109.5° |
| O2P | P | O1P | 113.2° | 109.5° |
| O2P | P | O3P | 111.6° | 109.5° |
| O5' | P | O1P | 107.5° | 109.5° |
| O5' | P | O3P | 99.6° | 109.5° |
| P | O5' | C5' | 121.0° | 123.0° |
| O1P | P | O3P | 113.7° | 109.5° |
| P | O3P | CC | 134.0° | 117.0° |
| O3P | CC | O2 | 123.7° | 120.0° |
| O3P | CC | C1C | 121.5° | 120.0° |
| O2 | CC | C1C | 114.8° | 120.0° |
| CC | C1C | C6C | 119.3° | 120.1° |
| CC | C1C | C2C | 121.7° | 120.2° |
| C6C | C1C | C2C | 119.0° | 119.7° |
| C1C | C6C | C5C | 118.8° | 119.9° |
| C1C | C6C | H6C | 120.6° | 120.1° |
| C1C | C2C | C3C | 121.9° | 119.9° |
| C1C | C2C | H2C | 119.0° | 120.0° |
| C3C | C2C | H2C | 119.1° | 120.1° |
| C2C | C3C | C4C | 119.9° | 120.2° |
| C2C | C3C | H3C | 120.0° | 119.9° |
| C4C | C3C | H3C | 120.1° | 119.9° |
| C3C | C4C | C5C | 117.6° | 120.2° |
| C3C | C4C | CL4A | 121.2° | 119.9° |
| C5C | C4C | CL4A | 121.2° | 119.9° |
| C4C | C5C | C6C | 122.8° | 120.2° |
| C4C | C5C | H5C | 118.6° | 119.9° |
| C6C | C5C | H5C | 118.6° | 119.9° |
| C5C | C6C | H6C | 120.6° | 120.1° |
| O5' | C5' | C4' | 106.2° | 109.4° |
| O5' | C5' | H5' | 110.6° | 109.5° |
| O5' | C5' | H5'A | 111.3° | 109.5° |
| C4' | C5' | H5' | 110.6° | 109.5° |
| C4' | C5' | H5'A | 111.3° | 109.5° |
| C5' | C4' | O4' | 112.9° | 110.4° |
| C5' | C4' | C3' | 117.0° | 110.4° |
| C5' | C4' | H4' | 100.3° | 110.3° |
| H5' | C5' | H5'A | 107.0° | 109.5° |
| O4' | C4' | C3' | 105.8° | 104.9° |
| O4' | C4' | H4' | 112.8° | 110.4° |
| C4' | O4' | C1' | 111.4° | 105.2° |
| C3' | C4' | H4' | 108.1° | 110.4° |
| C4' | C3' | C2' | 103.3° | 104.1° |
| C4' | C3' | O3' | 114.8° | 110.5° |
| C4' | C3' | H3' | 111.1° | 110.5° |
| C2' | C3' | O3' | 112.0° | 110.6° |
| C2' | C3' | H3' | 113.9° | 110.6° |
| C3' | C2' | O2' | 106.0° | 110.5° |
| C3' | C2' | C1' | 105.4° | 104.1° |
| C3' | C2' | H2' | 116.0° | 110.5° |
| O3' | C3' | H3' | 102.1° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O2' | C2' | C1' | 114.5° | 110.6° |
| O2' | C2' | H2' | 107.3° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 107.9° | 110.5° |
| C2' | C1' | N9 | 112.5° | 110.4° |
| C2' | C1' | O4' | 106.1° | 104.9° |
| C2' | C1' | H1' | 107.9° | 110.4° |
| N9 | C1' | O4' | 103.2° | 110.4° |
| N9 | C1' | H1' | 110.6° | 110.3° |
| C1' | N9 | C4 | 123.6° | 126.3° |
| C1' | N9 | C8 | 129.0° | 126.3° |
| O4' | C1' | H1' | 116.5° | 110.4° |
| C4 | N9 | C8 | 107.4° | 107.5° |
| N9 | C4 | N3 | 133.3° | 134.9° |
| N9 | C4 | C5 | 105.6° | 106.0° |
| N9 | C8 | N7 | 113.3° | 110.0° |
| N9 | C8 | H8 | 123.3° | 125.0° |
| N3 | C4 | C5 | 121.1° | 119.1° |
| C4 | N3 | C2 | 120.4° | 120.6° |
| C4 | C5 | C6 | 114.4° | 118.2° |
| C4 | C5 | N7 | 107.9° | 107.1° |
| C6 | C5 | N7 | 137.6° | 134.7° |
| C5 | C6 | N1 | 119.0° | 118.5° |
| C5 | C6 | N6 | 122.2° | 120.8° |
| C5 | N7 | C8 | 105.8° | 109.5° |
| N7 | C8 | H8 | 123.3° | 125.0° |
| N1 | C6 | N6 | 118.8° | 120.7° |
| C6 | N1 | C2 | 123.3° | 121.2° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.1° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| N1 | C2 | N3 | 121.8° | 122.5° |
| N1 | C2 | H2 | 119.1° | 118.8° |
| N3 | C2 | H2 | 119.1° | 118.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O5' | O1P | 123.9° | 120.0° |
| O2P | P | O5' | O3P | 117.4° | 120.0° |
| O2P | P | O1P | O3P | 128.6° | 120.0° |
| O2P | P | O3P | CC | 83.7° | 65.0° |
| O2P | P | O5' | C5' | 41.7° | 65.0° |
| HO2P | O2P | P | O5' | 166.9° | 60.0° |
| HO2P | O2P | P | O1P | 72.6° | 180.0° |
| HO2P | O2P | P | O3P | 57.2° | 60.0° |
| O5' | P | O1P | O3P | 109.2° | 120.0° |
| O5' | P | O3P | CC | 32.8° | 175.0° |
| P | O5' | C5' | C4' | 170.8° | 180.0° |
| P | O5' | C5' | H5' | 69.2° | 60.0° |
| P | O5' | C5' | H5'A | 49.6° | 60.0° |
| O1P | P | O3P | CC | 146.8° | 55.0° |
| O1P | P | O5' | C5' | 165.6° | 55.0° |
| P | O3P | CC | O2 | 29.8° | 0.0° |
| P | O3P | CC | C1C | 150.9° | 180.0° |
| O3P | P | O5' | C5' | 75.7° | 175.0° |
| O3P | CC | O2 | C1C | 179.3° | 180.0° |
| O3P | CC | C1C | C6C | 179.5° | 0.3° |
| O3P | CC | C1C | C2C | 0.1° | 180.0° |
| O2 | CC | C1C | C6C | 0.1° | 179.7° |
| O2 | CC | C1C | C2C | 179.4° | 0.0° |
| CC | C1C | C6C | C2C | 179.6° | 179.7° |
| CC | C1C | C2C | C3C | 179.9° | 180.0° |
| CC | C1C | C2C | H2C | 0.1° | 0.0° |
| CC | C1C | C6C | C5C | 180.0° | 179.7° |
| CC | C1C | C6C | H6C | 0.0° | 0.0° |
| C6C | C1C | C2C | C3C | 0.6° | 0.3° |
| C6C | C1C | C2C | H2C | 179.4° | 179.7° |
| C1C | C6C | C5C | C4C | 0.2° | 0.7° |
| C1C | C6C | C5C | H6C | 180.0° | 179.6° |
| C1C | C6C | C5C | H5C | 179.8° | 179.7° |
| C1C | C2C | C3C | H2C | 180.0° | 180.0° |
| C1C | C2C | C3C | C4C | 0.0° | 0.1° |
| C1C | C2C | C3C | H3C | 180.0° | 180.0° |
| C2C | C1C | C6C | C5C | 0.5° | 0.7° |
| C2C | C1C | C6C | H6C | 179.6° | 179.7° |
| C2C | C3C | C4C | H3C | 180.0° | 179.9° |
| C2C | C3C | C4C | C5C | 0.7° | 0.0° |
| C2C | C3C | C4C | CL4A | 179.9° | 180.0° |
| H2C | C2C | C3C | C4C | 180.0° | 179.9° |
| H2C | C2C | C3C | H3C | 0.0° | 0.0° |
| C3C | C4C | C5C | CL4A | 179.4° | 180.0° |
| C3C | C4C | C5C | C6C | 0.8° | 0.3° |
| C3C | C4C | C5C | H5C | 179.2° | 180.0° |
| H3C | C3C | C4C | C5C | 179.3° | 180.0° |
| H3C | C3C | C4C | CL4A | 0.0° | 0.0° |
| C4C | C5C | C6C | H5C | 180.0° | 179.7° |
| C4C | C5C | C6C | H6C | 179.7° | 179.7° |
| CL4A | C4C | C5C | C6C | 179.8° | 179.7° |
| CL4A | C4C | C5C | H5C | 0.2° | 0.0° |
| H5C | C5C | C6C | H6C | 0.3° | 0.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'A | 121.3° | 120.0° |
| O5' | C5' | H5' | H5'A | 121.3° | 120.0° |
| O5' | C5' | C4' | O4' | 160.6° | 68.0° |
| O5' | C5' | C4' | C3' | 37.4° | 176.6° |
| O5' | C5' | C4' | H4' | 79.2° | 54.3° |
| C4' | C5' | H5' | H5'A | 121.3° | 120.0° |
| C5' | C4' | O4' | C3' | 129.2° | 118.9° |
| C5' | C4' | O4' | H4' | 112.8° | 122.2° |
| C5' | C4' | C3' | H4' | 112.3° | 122.3° |
| C5' | C4' | C3' | C2' | 155.2° | 142.8° |
| C5' | C4' | C3' | O3' | 82.5° | 98.4° |
| C5' | C4' | C3' | H3' | 32.7° | 24.1° |
| C5' | C4' | O4' | C1' | 151.9° | 159.3° |
| H5' | C5' | C4' | O4' | 79.4° | 52.0° |
| H5' | C5' | C4' | C3' | 157.4° | 63.4° |
| H5' | C5' | C4' | H4' | 40.8° | 174.3° |
| H5'A | C5' | C4' | O4' | 39.3° | 172.1° |
| H5'A | C5' | C4' | C3' | 83.8° | 56.6° |
| H5'A | C5' | C4' | H4' | 159.6° | 65.7° |
| O4' | C4' | C3' | H4' | 121.0° | 118.9° |
| O4' | C4' | C3' | C2' | 28.5° | 23.9° |
| O4' | C4' | C3' | O3' | 150.8° | 142.7° |
| O4' | C4' | C3' | H3' | 94.0° | 94.8° |
| C4' | O4' | C1' | C2' | 7.0° | 40.4° |
| C4' | O4' | C1' | N9 | 125.4° | 159.2° |
| C4' | O4' | C1' | H1' | 113.1° | 78.5° |
| C4' | C3' | C2' | O3' | 124.1° | 118.7° |
| C4' | C3' | C2' | H3' | 120.6° | 118.7° |
| C4' | C3' | O3' | H3' | 120.3° | 122.6° |
| C4' | C3' | O3' | HO3' | 80.5° | 179.9° |
| C4' | C3' | C2' | O2' | 97.7° | 118.8° |
| C4' | C3' | C2' | C1' | 24.1° | 0.0° |
| C4' | C3' | C2' | H2' | 143.3° | 118.6° |
| C3' | C4' | O4' | C1' | 22.7° | 40.4° |
| H4' | C4' | C3' | C2' | 92.5° | 94.9° |
| H4' | C4' | C3' | O3' | 29.7° | 23.8° |
| H4' | C4' | C3' | H3' | 145.0° | 146.4° |
| H4' | C4' | O4' | C1' | 95.3° | 78.5° |
| C2' | C3' | O3' | H3' | 122.3° | 122.7° |
| C2' | C3' | O3' | HO3' | 36.9° | 65.4° |
| C3' | C2' | O2' | C1' | 115.8° | 114.7° |
| C3' | C2' | O2' | H2' | 124.6° | 122.6° |
| C3' | C2' | C1' | H2' | 124.5° | 118.6° |
| C3' | C2' | O2' | HO2' | 18.7° | 61.4° |
| C3' | C2' | C1' | N9 | 100.6° | 142.8° |
| C3' | C2' | C1' | O4' | 11.5° | 23.9° |
| C3' | C2' | C1' | H1' | 137.1° | 95.0° |
| O3' | C3' | C2' | O2' | 26.4° | 0.1° |
| O3' | C3' | C2' | C1' | 148.2° | 118.7° |
| O3' | C3' | C2' | H2' | 92.6° | 122.7° |
| H3' | C3' | O3' | HO3' | 159.2° | 57.4° |
| H3' | C3' | C2' | O2' | 141.7° | 122.5° |
| H3' | C3' | C2' | C1' | 96.5° | 118.7° |
| H3' | C3' | C2' | H2' | 22.7° | 0.0° |
| O2' | C2' | C1' | H2' | 119.3° | 122.6° |
| O2' | C2' | C1' | N9 | 143.2° | 98.5° |
| O2' | C2' | C1' | O4' | 104.6° | 142.6° |
| O2' | C2' | C1' | H1' | 21.0° | 23.7° |
| C1' | C2' | O2' | HO2' | 97.0° | 176.1° |
| C2' | C1' | N9 | O4' | 113.9° | 115.5° |
| C2' | C1' | N9 | H1' | 120.7° | 122.2° |
| C2' | C1' | O4' | H1' | 120.1° | 118.9° |
| C2' | C1' | N9 | C4 | 132.5° | 85.3° |
| C2' | C1' | N9 | C8 | 49.9° | 95.0° |
| H2' | C2' | O2' | HO2' | 143.3° | 61.2° |
| H2' | C2' | C1' | N9 | 23.9° | 24.2° |
| H2' | C2' | C1' | O4' | 136.0° | 94.7° |
| H2' | C2' | C1' | H1' | 98.4° | 146.3° |
| N9 | C1' | O4' | H1' | 121.4° | 122.2° |
| C1' | N9 | C4 | C8 | 178.1° | 179.7° |
| C1' | N9 | C4 | N3 | 1.7° | 0.0° |
| C1' | N9 | C4 | C5 | 179.1° | 180.0° |
| C1' | N9 | C8 | N7 | 178.8° | 179.8° |
| C1' | N9 | C8 | H8 | 1.2° | 0.1° |
| O4' | C1' | N9 | C4 | 113.6° | 159.2° |
| O4' | C1' | N9 | C8 | 64.1° | 20.4° |
| H1' | C1' | N9 | C4 | 11.8° | 36.9° |
| H1' | C1' | N9 | C8 | 170.6° | 142.8° |
| N9 | C4 | N3 | C5 | 179.0° | 180.0° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| N9 | C4 | C5 | N7 | 1.0° | 0.0° |
| C4 | N9 | C8 | N7 | 0.8° | 0.4° |
| C4 | N9 | C8 | H8 | 179.1° | 179.8° |
| N9 | C4 | N3 | C2 | 178.9° | 180.0° |
| C8 | N9 | C4 | N3 | 179.8° | 179.8° |
| C8 | N9 | C4 | C5 | 1.0° | 0.2° |
| N9 | C8 | N7 | C5 | 0.2° | 0.5° |
| N9 | C8 | N7 | H8 | 180.0° | 179.8° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.1° |
| C4 | N3 | C2 | H2 | 179.8° | 180.0° |
| C4 | C5 | C6 | N7 | 179.8° | 179.9° |
| C4 | C5 | N7 | C8 | 0.5° | 0.3° |
| C4 | C5 | C6 | N1 | 0.2° | 0.0° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C6 | C5 | N7 | C8 | 179.7° | 179.8° |
| C5 | C6 | N1 | N6 | 179.7° | 180.0° |
| C5 | C6 | N6 | HN6 | 141.0° | 0.0° |
| C5 | C6 | N6 | HN6A | 99.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.0° |
| C5 | N7 | C8 | H8 | 179.8° | 179.8° |
| N7 | C5 | C6 | N1 | 179.6° | 180.0° |
| N7 | C5 | C6 | N6 | 0.1° | 0.0° |
| N1 | C6 | N6 | HN6 | 39.3° | 180.0° |
| N1 | C6 | N6 | HN6A | 80.7° | 0.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.1° |
| C6 | N1 | C2 | H2 | 179.6° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N6 | C6 | N1 | C2 | 179.9° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.8° |
