A3A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8A | N9A | sing | 1.37Å | 1.36Å | Aromatic |
| C8A | N7A | doub | 1.32Å | 1.31Å | Aromatic |
| C8A | H8A | sing | 1.08Å | 1.08Å | |
| N9A | C4A | sing | 1.37Å | 1.37Å | Aromatic |
| N9A | C1' | sing | 1.47Å | 1.47Å | |
| C4A | C5A | doub | 1.39Å | 1.37Å | Aromatic |
| C4A | N3A | sing | 1.34Å | 1.36Å | Aromatic |
| C5A | N7A | sing | 1.37Å | 1.40Å | Aromatic |
| C5A | C6A | sing | 1.39Å | 1.41Å | Aromatic |
| N3A | C2A | doub | 1.35Å | 1.33Å | Aromatic |
| C2A | N1A | sing | 1.35Å | 1.33Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| N1A | C6A | doub | 1.36Å | 1.34Å | Aromatic |
| C6A | N6A | sing | 1.41Å | 1.32Å | |
| N6A | HN61 | sing | 1.00Å | 1.02Å | |
| N6A | HN62 | sing | 1.00Å | 1.00Å | |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | O6' | sing | 1.62Å | 1.62Å | |
| P | O1 | sing | 1.62Å | 10.29Å | |
| OP2 | H2P | sing | 0.98Å | 0.95Å | |
| O6' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.07Å | |
| C4' | O5' | sing | 1.44Å | 1.40Å | |
| C4' | C3' | sing | 1.52Å | 1.53Å | |
| C4' | H4' | sing | 1.10Å | 1.09Å | |
| O5' | C1' | sing | 1.44Å | 1.40Å | |
| C3' | O3' | sing | 1.42Å | 1.41Å | |
| C3' | C2' | sing | 1.51Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.53Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.09Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| C1' | H1' | sing | 1.09Å | 1.07Å | |
| O1 | HO1 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9A | C8A | N7A | 114.2° | 112.2° |
| N9A | C8A | H8A | 119.5° | 122.1° |
| C8A | N9A | C4A | 105.9° | 106.8° |
| C8A | N9A | C1' | 126.8° | 126.2° |
| N7A | C8A | H8A | 126.3° | 125.6° |
| C8A | N7A | C5A | 103.0° | 104.9° |
| C4A | N9A | C1' | 126.1° | 127.0° |
| N9A | C4A | C5A | 105.8° | 105.3° |
| N9A | C4A | N3A | 127.1° | 127.4° |
| N9A | C1' | O5' | 107.0° | 110.0° |
| N9A | C1' | C2' | 116.4° | 113.7° |
| N9A | C1' | H1' | 108.3° | 104.7° |
| C5A | C4A | N3A | 127.2° | 127.3° |
| C4A | C5A | N7A | 111.0° | 110.7° |
| C4A | C5A | C6A | 114.5° | 116.9° |
| C4A | N3A | C2A | 111.6° | 110.4° |
| N7A | C5A | C6A | 134.5° | 132.4° |
| C5A | C6A | N1A | 121.0° | 119.1° |
| C5A | C6A | N6A | 122.6° | 120.8° |
| N3A | C2A | N1A | 128.4° | 128.8° |
| N3A | C2A | H2A | 115.3° | 115.6° |
| N1A | C2A | H2A | 116.3° | 115.5° |
| C2A | N1A | C6A | 117.3° | 117.5° |
| N1A | C6A | N6A | 116.4° | 120.2° |
| C6A | N6A | HN61 | 118.7° | 119.5° |
| C6A | N6A | HN62 | 118.6° | 119.4° |
| HN61 | N6A | HN62 | 122.3° | 120.8° |
| OP1 | P | OP2 | 119.7° | 115.3° |
| OP1 | P | O6' | 108.2° | 115.0° |
| OP1 | P | O1 | 143.9° | 115.0° |
| OP2 | P | O6' | 107.8° | 103.7° |
| OP2 | P | O1 | 93.8° | 103.3° |
| P | OP2 | H2P | 119.7° | 119.0° |
| O6' | P | O1 | 43.2° | 102.9° |
| P | O6' | C5' | 122.0° | 118.4° |
| P | O1 | HO1 | 143.9° | 119.0° |
| O6' | C5' | C4' | 114.2° | 108.9° |
| O6' | C5' | H5' | 110.5° | 109.0° |
| O6' | C5' | H5'' | 107.4° | 109.0° |
| C4' | C5' | H5' | 109.8° | 110.3° |
| C4' | C5' | H5'' | 105.5° | 110.3° |
| C5' | C4' | O5' | 106.3° | 108.1° |
| C5' | C4' | C3' | 114.1° | 112.9° |
| C5' | C4' | H4' | 110.7° | 109.3° |
| H5' | C5' | H5'' | 109.1° | 109.4° |
| O5' | C4' | C3' | 109.3° | 106.1° |
| O5' | C4' | H4' | 107.3° | 107.8° |
| C4' | O5' | C1' | 109.6° | 109.1° |
| C3' | C4' | H4' | 108.8° | 112.3° |
| C4' | C3' | O3' | 110.5° | 108.9° |
| C4' | C3' | C2' | 102.5° | 103.5° |
| C4' | C3' | H3' | 111.1° | 113.7° |
| O5' | C1' | C2' | 108.8° | 108.0° |
| O5' | C1' | H1' | 106.3° | 109.0° |
| O3' | C3' | C2' | 110.9° | 109.7° |
| O3' | C3' | H3' | 110.0° | 107.6° |
| C3' | O3' | H1 | 110.5° | 107.3° |
| C2' | C3' | H3' | 111.6° | 113.4° |
| C3' | C2' | C1' | 103.3° | 103.7° |
| C3' | C2' | H2' | 109.8° | 109.1° |
| C3' | C2' | H2'' | 111.6° | 113.7° |
| C1' | C2' | H2' | 109.9° | 108.6° |
| C1' | C2' | H2'' | 111.8° | 113.2° |
| C2' | C1' | H1' | 109.5° | 111.4° |
| H2' | C2' | H2'' | 110.2° | 108.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9A | C8A | N7A | H8A | 178.0° | 180.0° |
| C8A | N9A | C4A | C1' | 168.3° | 180.0° |
| C8A | N9A | C4A | C5A | 3.0° | 0.0° |
| C8A | N9A | C4A | N3A | 176.7° | 180.0° |
| N9A | C8A | N7A | C5A | 2.6° | 0.0° |
| C8A | N9A | C1' | O5' | 38.7° | 33.1° |
| C8A | N9A | C1' | C2' | 83.2° | 88.1° |
| C8A | N9A | C1' | H1' | 153.0° | 150.0° |
| N7A | C8A | N9A | C4A | 3.7° | 0.0° |
| N7A | C8A | N9A | C1' | 164.5° | 180.0° |
| C8A | N7A | C5A | C4A | 0.6° | 0.0° |
| C8A | N7A | C5A | C6A | 178.0° | 180.0° |
| H8A | C8A | N9A | C4A | 178.1° | 180.0° |
| H8A | C8A | N9A | C1' | 13.7° | 0.0° |
| H8A | C8A | N7A | C5A | 179.3° | 180.0° |
| N9A | C4A | C5A | N3A | 179.7° | 180.0° |
| N9A | C4A | C5A | N7A | 1.6° | 0.0° |
| N9A | C4A | C5A | C6A | 179.6° | 180.0° |
| N9A | C4A | N3A | C2A | 178.8° | 180.0° |
| C4A | N9A | C1' | O5' | 127.1° | 147.0° |
| C4A | N9A | C1' | C2' | 111.0° | 91.8° |
| C4A | N9A | C1' | H1' | 12.8° | 30.0° |
| C1' | N9A | C4A | C5A | 165.3° | 180.0° |
| C1' | N9A | C4A | N3A | 15.1° | 0.1° |
| N9A | C1' | O5' | C4' | 116.8° | 126.8° |
| N9A | C1' | O5' | C2' | 126.5° | 124.6° |
| N9A | C1' | O5' | H1' | 115.6° | 114.3° |
| N9A | C1' | C2' | C3' | 98.7° | 105.3° |
| N9A | C1' | C2' | H1' | 123.2° | 118.1° |
| N9A | C1' | C2' | H2' | 144.2° | 138.7° |
| N9A | C1' | C2' | H2'' | 21.5° | 18.4° |
| C4A | C5A | N7A | C6A | 178.6° | 180.0° |
| C5A | C4A | N3A | C2A | 0.8° | 0.0° |
| C4A | C5A | C6A | N1A | 1.8° | 0.0° |
| C4A | C5A | C6A | N6A | 179.7° | 180.0° |
| N3A | C4A | C5A | N7A | 178.1° | 180.0° |
| N3A | C4A | C5A | C6A | 0.8° | 0.0° |
| C4A | N3A | C2A | N1A | 1.7° | 0.0° |
| C4A | N3A | C2A | H2A | 176.0° | 179.9° |
| N7A | C5A | C6A | N1A | 176.8° | 180.0° |
| N7A | C5A | C6A | N6A | 1.8° | 0.1° |
| C5A | C6A | N1A | C2A | 1.1° | 0.0° |
| C5A | C6A | N1A | N6A | 178.6° | 180.0° |
| C5A | C6A | N6A | HN61 | 175.7° | 93.8° |
| C5A | C6A | N6A | HN62 | 2.3° | 80.0° |
| N3A | C2A | N1A | H2A | 177.7° | 179.9° |
| N3A | C2A | N1A | C6A | 0.8° | 0.0° |
| C2A | N1A | C6A | N6A | 179.8° | 180.0° |
| H2A | C2A | N1A | C6A | 176.9° | 179.9° |
| N1A | C6A | N6A | HN61 | 3.0° | 86.2° |
| N1A | C6A | N6A | HN62 | 176.3° | 100.0° |
| C6A | N6A | HN61 | HN62 | 173.1° | 173.6° |
| OP1 | P | OP2 | O6' | 124.1° | 126.6° |
| OP1 | P | OP2 | O1 | 165.9° | 126.3° |
| OP1 | P | O6' | O1 | 153.0° | 125.8° |
| OP1 | P | OP2 | H2P | 180.0° | 48.8° |
| OP1 | P | O6' | C5' | 27.2° | 180.0° |
| OP1 | P | O1 | HO1 | 180.0° | 48.0° |
| OP2 | P | O6' | O1 | 76.2° | 107.4° |
| OP2 | P | O6' | C5' | 157.9° | 53.1° |
| OP2 | P | O1 | HO1 | 21.0° | 78.5° |
| O6' | P | OP2 | H2P | 55.8° | 175.4° |
| P | O6' | C5' | C4' | 174.6° | 180.0° |
| P | O6' | C5' | H5' | 50.2° | 59.6° |
| P | O6' | C5' | H5'' | 68.7° | 59.6° |
| O6' | P | O1 | HO1 | 133.1° | 173.8° |
| O1 | P | OP2 | H2P | 14.0° | 77.5° |
| O1 | P | O6' | C5' | 125.9° | 54.2° |
| O6' | C5' | C4' | H5' | 124.8° | 119.5° |
| O6' | C5' | C4' | H5'' | 117.7° | 119.5° |
| O6' | C5' | H5' | H5'' | 117.8° | 119.0° |
| O6' | C5' | C4' | O5' | 85.3° | 62.4° |
| O6' | C5' | C4' | C3' | 35.3° | 179.5° |
| O6' | C5' | C4' | H4' | 158.4° | 54.7° |
| C4' | C5' | H5' | H5'' | 115.2° | 121.5° |
| C5' | C4' | O5' | C3' | 123.6° | 121.4° |
| C5' | C4' | O5' | H4' | 118.5° | 118.1° |
| C5' | C4' | C3' | H4' | 124.2° | 124.1° |
| C5' | C4' | O5' | C1' | 116.5° | 100.7° |
| C5' | C4' | C3' | O3' | 143.5° | 155.8° |
| C5' | C4' | C3' | C2' | 98.3° | 87.6° |
| C5' | C4' | C3' | H3' | 21.1° | 35.9° |
| H5' | C5' | C4' | O5' | 39.5° | 57.1° |
| H5' | C5' | C4' | C3' | 160.1° | 60.0° |
| H5' | C5' | C4' | H4' | 76.8° | 174.2° |
| H5'' | C5' | C4' | O5' | 157.0° | 178.0° |
| H5'' | C5' | C4' | C3' | 82.4° | 60.9° |
| H5'' | C5' | C4' | H4' | 40.7° | 64.9° |
| O5' | C4' | C3' | H4' | 117.0° | 117.6° |
| O5' | C4' | C3' | O3' | 97.6° | 85.9° |
| O5' | C4' | C3' | C2' | 20.6° | 30.7° |
| O5' | C4' | C3' | H3' | 139.9° | 154.2° |
| C4' | O5' | C1' | C2' | 9.7° | 2.2° |
| C4' | O5' | C1' | H1' | 127.6° | 118.9° |
| C3' | C4' | O5' | C1' | 7.1° | 20.7° |
| C4' | C3' | O3' | C2' | 112.9° | 112.6° |
| C4' | C3' | O3' | H3' | 123.1° | 123.7° |
| C4' | C3' | C2' | H3' | 119.0° | 123.7° |
| C4' | C3' | O3' | H1 | 179.9° | 31.4° |
| C4' | C3' | C2' | C1' | 24.7° | 28.4° |
| C4' | C3' | C2' | H2' | 92.5° | 87.2° |
| C4' | C3' | C2' | H2'' | 145.0° | 151.8° |
| H4' | C4' | O5' | C1' | 125.0° | 141.2° |
| H4' | C4' | C3' | O3' | 19.3° | 31.7° |
| H4' | C4' | C3' | C2' | 137.6° | 148.3° |
| H4' | C4' | C3' | H3' | 103.1° | 88.3° |
| O5' | C1' | C2' | C3' | 22.3° | 17.0° |
| O5' | C1' | C2' | H1' | 115.8° | 119.6° |
| O5' | C1' | C2' | H2' | 94.8° | 99.0° |
| O5' | C1' | C2' | H2'' | 142.4° | 140.7° |
| O3' | C3' | C2' | H3' | 123.1° | 120.2° |
| O3' | C3' | C2' | C1' | 93.2° | 87.6° |
| O3' | C3' | C2' | H2' | 149.6° | 156.8° |
| O3' | C3' | C2' | H2'' | 27.0° | 35.7° |
| C2' | C3' | O3' | H1 | 67.0° | 144.0° |
| C3' | C2' | C1' | H2' | 117.1° | 116.0° |
| C3' | C2' | C1' | H2'' | 120.1° | 123.7° |
| C3' | C2' | H2' | H2'' | 123.4° | 124.3° |
| C3' | C2' | C1' | H1' | 138.1° | 136.6° |
| H3' | C3' | O3' | H1 | 57.0° | 92.3° |
| H3' | C3' | C2' | C1' | 143.7° | 152.1° |
| H3' | C3' | C2' | H2' | 26.5° | 36.5° |
| H3' | C3' | C2' | H2'' | 96.0° | 84.5° |
| C1' | C2' | H2' | H2'' | 123.7° | 123.3° |
| H2' | C2' | C1' | H1' | 21.0° | 20.6° |
| H2'' | C2' | C1' | H1' | 101.8° | 99.7° |
