A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.61Å | 1.60Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| P | OP1 | doub | 1.48Å | 1.44Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.55Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.38Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.46Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.39Å | |
| C2' | C1' | sing | 1.54Å | 1.48Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.41Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.31Å | |
| C6 | N1 | doub | 1.33Å | 1.40Å | Aromatic |
| N6 | H61 | sing | 0.97Å | 1.02Å | |
| N6 | H62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.26Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.29Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 109.3° | 106.8° |
| OP3 | P | OP1 | 109.3° | 109.5° |
| OP3 | P | OP2 | 110.9° | 109.4° |
| OP3 | P | O5' | 94.7° | 109.5° |
| OP1 | P | OP2 | 117.1° | 109.5° |
| OP1 | P | O5' | 113.5° | 109.5° |
| OP2 | P | O5' | 109.2° | 109.4° |
| P | OP2 | HOP2 | 117.1° | 106.9° |
| P | O5' | C5' | 116.6° | 106.9° |
| O5' | C5' | C4' | 107.9° | 109.5° |
| O5' | C5' | H5' | 112.8° | 109.5° |
| O5' | C5' | H5'' | 112.7° | 109.5° |
| C4' | C5' | H5' | 112.8° | 109.5° |
| C4' | C5' | H5'' | 112.8° | 109.4° |
| C5' | C4' | O4' | 111.0° | 110.4° |
| C5' | C4' | C3' | 114.0° | 110.5° |
| C5' | C4' | H4' | 103.7° | 110.2° |
| H5' | C5' | H5'' | 97.7° | 109.4° |
| O4' | C4' | C3' | 104.1° | 104.8° |
| O4' | C4' | H4' | 113.6° | 110.4° |
| C4' | O4' | C1' | 108.5° | 105.3° |
| C3' | C4' | H4' | 110.7° | 110.3° |
| C4' | C3' | O3' | 111.4° | 110.6° |
| C4' | C3' | C2' | 102.9° | 104.1° |
| C4' | C3' | H3' | 113.8° | 110.5° |
| O4' | C1' | C2' | 107.5° | 104.9° |
| O4' | C1' | N9 | 103.5° | 110.4° |
| O4' | C1' | H1' | 117.5° | 110.4° |
| O3' | C3' | C2' | 113.0° | 110.5° |
| O3' | C3' | H3' | 103.9° | 110.4° |
| C3' | O3' | HO3' | 111.4° | 106.8° |
| C2' | C3' | H3' | 112.3° | 110.6° |
| C3' | C2' | O2' | 108.5° | 110.6° |
| C3' | C2' | C1' | 100.2° | 104.0° |
| C3' | C2' | H2' | 116.9° | 110.5° |
| O2' | C2' | C1' | 112.3° | 110.8° |
| O2' | C2' | H2' | 105.7° | 110.5° |
| C2' | O2' | HO2' | 108.5° | 106.8° |
| C1' | C2' | H2' | 113.4° | 110.3° |
| C2' | C1' | N9 | 117.3° | 110.4° |
| C2' | C1' | H1' | 103.8° | 110.3° |
| N9 | C1' | H1' | 107.8° | 110.3° |
| C1' | N9 | C8 | 129.3° | 126.3° |
| C1' | N9 | C4 | 123.3° | 126.3° |
| C8 | N9 | C4 | 107.5° | 107.4° |
| N9 | C8 | N7 | 110.8° | 110.0° |
| N9 | C8 | H8 | 126.3° | 125.0° |
| N9 | C4 | C5 | 103.3° | 106.0° |
| N9 | C4 | N3 | 131.2° | 134.9° |
| N7 | C8 | H8 | 123.0° | 125.0° |
| C8 | N7 | C5 | 104.5° | 109.5° |
| N7 | C5 | C6 | 128.7° | 134.7° |
| N7 | C5 | C4 | 114.0° | 107.1° |
| C6 | C5 | C4 | 117.3° | 118.1° |
| C5 | C6 | N6 | 125.3° | 120.7° |
| C5 | C6 | N1 | 115.7° | 118.5° |
| C5 | C4 | N3 | 125.5° | 119.1° |
| N6 | C6 | N1 | 119.0° | 120.8° |
| C6 | N6 | H61 | 125.3° | 120.0° |
| C6 | N6 | H62 | 106.6° | 120.0° |
| C6 | N1 | C2 | 120.3° | 121.1° |
| H61 | N6 | H62 | 106.7° | 120.0° |
| N1 | C2 | N3 | 127.8° | 122.5° |
| N1 | C2 | H2 | 111.4° | 118.7° |
| N3 | C2 | H2 | 120.8° | 118.8° |
| C2 | N3 | C4 | 113.5° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 127.1° | 120.0° |
| OP3 | P | OP1 | O5' | 104.2° | 120.1° |
| OP3 | P | OP2 | O5' | 103.0° | 120.0° |
| OP3 | P | OP2 | HOP2 | 53.7° | 60.0° |
| OP3 | P | O5' | C5' | 153.5° | 180.0° |
| HOP3 | OP3 | P | OP1 | 180.0° | 60.0° |
| HOP3 | OP3 | P | OP2 | 49.5° | 60.1° |
| HOP3 | OP3 | P | O5' | 63.1° | 180.0° |
| OP1 | P | OP2 | O5' | 130.7° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 179.9° |
| OP1 | P | O5' | C5' | 93.2° | 60.0° |
| OP2 | P | O5' | C5' | 39.4° | 60.0° |
| O5' | P | OP2 | HOP2 | 49.3° | 59.9° |
| P | O5' | C5' | C4' | 179.5° | 179.9° |
| P | O5' | C5' | H5' | 54.2° | 60.0° |
| P | O5' | C5' | H5'' | 55.2° | 60.0° |
| O5' | C5' | C4' | H5' | 125.2° | 120.1° |
| O5' | C5' | C4' | H5'' | 125.2° | 120.0° |
| O5' | C5' | H5' | H5'' | 118.7° | 120.0° |
| O5' | C5' | C4' | O4' | 65.3° | 61.4° |
| O5' | C5' | C4' | C3' | 177.5° | 177.0° |
| O5' | C5' | C4' | H4' | 57.1° | 60.8° |
| C4' | C5' | H5' | H5'' | 118.8° | 119.9° |
| C5' | C4' | O4' | C3' | 123.0° | 119.1° |
| C5' | C4' | O4' | H4' | 116.5° | 122.2° |
| C5' | C4' | C3' | H4' | 116.5° | 122.2° |
| C5' | C4' | O4' | C1' | 137.8° | 159.5° |
| C5' | C4' | C3' | O3' | 83.0° | 98.3° |
| C5' | C4' | C3' | C2' | 155.7° | 143.0° |
| C5' | C4' | C3' | H3' | 34.0° | 24.3° |
| H5' | C5' | C4' | O4' | 59.9° | 178.5° |
| H5' | C5' | C4' | C3' | 57.2° | 63.0° |
| H5' | C5' | C4' | H4' | 177.7° | 59.2° |
| H5'' | C5' | C4' | O4' | 169.4° | 58.6° |
| H5'' | C5' | C4' | C3' | 52.3° | 57.0° |
| H5'' | C5' | C4' | H4' | 68.2° | 179.2° |
| O4' | C4' | C3' | H4' | 122.4° | 118.9° |
| O4' | C4' | C3' | O3' | 155.9° | 142.7° |
| O4' | C4' | C3' | C2' | 34.6° | 24.0° |
| O4' | C4' | C3' | H3' | 87.1° | 94.7° |
| C4' | O4' | C1' | C2' | 11.3° | 40.4° |
| C4' | O4' | C1' | N9 | 113.5° | 159.3° |
| C4' | O4' | C1' | H1' | 127.9° | 78.4° |
| C3' | C4' | O4' | C1' | 14.8° | 40.5° |
| C4' | C3' | O3' | C2' | 115.2° | 114.7° |
| C4' | C3' | O3' | H3' | 122.9° | 122.6° |
| C4' | C3' | C2' | H3' | 122.7° | 118.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 77.6° | 118.8° |
| C4' | C3' | C2' | C1' | 40.3° | 0.1° |
| C4' | C3' | C2' | H2' | 163.1° | 118.5° |
| H4' | C4' | O4' | C1' | 105.7° | 78.3° |
| H4' | C4' | C3' | O3' | 33.5° | 23.9° |
| H4' | C4' | C3' | C2' | 87.8° | 94.8° |
| H4' | C4' | C3' | H3' | 150.5° | 146.5° |
| O4' | C1' | C2' | C3' | 32.1° | 23.8° |
| O4' | C1' | C2' | O2' | 82.9° | 142.6° |
| O4' | C1' | C2' | N9 | 116.0° | 118.9° |
| O4' | C1' | C2' | H1' | 125.2° | 118.9° |
| O4' | C1' | C2' | H2' | 157.4° | 94.7° |
| O4' | C1' | N9 | H1' | 125.2° | 122.3° |
| O4' | C1' | N9 | C8 | 9.9° | 27.1° |
| O4' | C1' | N9 | C4 | 170.3° | 153.0° |
| O3' | C3' | C2' | H3' | 117.1° | 122.6° |
| O3' | C3' | C2' | O2' | 42.6° | 0.1° |
| O3' | C3' | C2' | C1' | 160.5° | 118.9° |
| O3' | C3' | C2' | H2' | 76.7° | 122.7° |
| C2' | C3' | O3' | HO3' | 64.8° | 65.3° |
| C3' | C2' | O2' | C1' | 109.8° | 114.8° |
| C3' | C2' | O2' | H2' | 126.1° | 122.7° |
| C3' | C2' | C1' | H2' | 125.3° | 118.6° |
| C3' | C2' | O2' | HO2' | 179.9° | 61.5° |
| C3' | C2' | C1' | N9 | 83.9° | 142.8° |
| C3' | C2' | C1' | H1' | 157.3° | 95.1° |
| H3' | C3' | O3' | HO3' | 57.1° | 57.4° |
| H3' | C3' | C2' | O2' | 159.7° | 122.5° |
| H3' | C3' | C2' | C1' | 82.4° | 118.5° |
| H3' | C3' | C2' | H2' | 40.4° | 0.1° |
| O2' | C2' | C1' | H2' | 119.7° | 122.6° |
| O2' | C2' | C1' | N9 | 161.1° | 98.4° |
| O2' | C2' | C1' | H1' | 42.4° | 23.7° |
| C1' | C2' | O2' | HO2' | 70.1° | 176.2° |
| C2' | C1' | N9 | H1' | 116.6° | 122.2° |
| C2' | C1' | N9 | C8 | 108.3° | 88.5° |
| C2' | C1' | N9 | C4 | 71.5° | 91.5° |
| H2' | C2' | O2' | HO2' | 54.0° | 61.2° |
| H2' | C2' | C1' | N9 | 41.4° | 24.2° |
| H2' | C2' | C1' | H1' | 77.3° | 146.4° |
| C1' | N9 | C8 | C4 | 179.9° | 180.0° |
| C1' | N9 | C8 | N7 | 180.0° | 180.0° |
| C1' | N9 | C8 | H8 | 0.0° | 0.0° |
| C1' | N9 | C4 | C5 | 179.8° | 179.8° |
| C1' | N9 | C4 | N3 | 0.1° | 0.1° |
| H1' | C1' | N9 | C8 | 135.1° | 149.4° |
| H1' | C1' | N9 | C4 | 45.1° | 30.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.3° | 0.3° |
| C8 | N9 | C4 | C5 | 0.0° | 0.2° |
| C8 | N9 | C4 | N3 | 179.8° | 180.0° |
| C4 | N9 | C8 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | H8 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.4° |
| N9 | C4 | C5 | C6 | 179.8° | 179.6° |
| N9 | C4 | C5 | N3 | 179.8° | 179.9° |
| N9 | C4 | N3 | C2 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 179.8° | 179.4° |
| C8 | N7 | C5 | C4 | 0.4° | 0.4° |
| H8 | C8 | N7 | C5 | 179.7° | 179.7° |
| N7 | C5 | C6 | C4 | 179.4° | 179.0° |
| N7 | C5 | C6 | N6 | 0.4° | 0.8° |
| N7 | C5 | C6 | N1 | 179.7° | 179.5° |
| N7 | C5 | C4 | N3 | 180.0° | 179.8° |
| C5 | C6 | N6 | N1 | 179.8° | 179.7° |
| C5 | C6 | N6 | H61 | 180.0° | 179.7° |
| C5 | C6 | N6 | H62 | 54.7° | 0.5° |
| C5 | C6 | N1 | C2 | 0.1° | 0.3° |
| C6 | C5 | C4 | N3 | 0.4° | 0.5° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| C4 | C5 | C6 | N1 | 0.3° | 0.6° |
| C5 | C4 | N3 | C2 | 0.3° | 0.2° |
| C6 | N6 | H61 | H62 | 125.3° | 179.8° |
| N6 | C6 | N1 | C2 | 179.9° | 180.0° |
| N1 | C6 | N6 | H61 | 0.2° | 0.0° |
| N1 | C6 | N6 | H62 | 125.2° | 179.8° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| H2 | C2 | N3 | C4 | 180.0° | 180.0° |
