WTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C4 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C5 | N7 | sing | 1.36Å | 1.40Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| O2P | P | doub | 1.48Å | 1.52Å | |
| P | O1P | sing | 1.61Å | 1.64Å | |
| P | O3P | sing | 1.61Å | 1.59Å | |
| C1P | O3P | sing | 1.43Å | 1.47Å | |
| C1P | C2P | sing | 1.53Å | 1.52Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C1P | H2 | sing | 1.09Å | 1.10Å | |
| C1P | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C2' | H5 | sing | 1.09Å | 1.10Å | |
| C2P | H6 | sing | 1.09Å | 1.10Å | |
| C2P | H7 | sing | 1.09Å | 1.10Å | |
| C2P | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| O1P | H16 | sing | 0.97Å | 0.95Å | |
| O2' | H17 | sing | 0.97Å | 0.95Å | |
| O3' | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C1' | 107.3° | 110.9° |
| O2' | C2' | C3' | 110.8° | 110.9° |
| O2' | C2' | H5 | 113.6° | 110.8° |
| C2' | O2' | H17 | 109.5° | 114.0° |
| C2 | N3 | C4 | 112.9° | 120.7° |
| N3 | C2 | N1 | 126.7° | 122.4° |
| N3 | C2 | H4 | 116.6° | 118.8° |
| N3 | C4 | N9 | 128.3° | 134.9° |
| N3 | C4 | C5 | 125.6° | 119.1° |
| C2 | N1 | C6 | 119.5° | 121.2° |
| N1 | C2 | H4 | 116.7° | 118.8° |
| C2' | C1' | O4' | 107.9° | 103.5° |
| C2' | C1' | N9 | 112.5° | 110.6° |
| C1' | C2' | C3' | 100.6° | 102.1° |
| C2' | C1' | H1 | 108.7° | 110.6° |
| C1' | C2' | H5 | 111.9° | 110.9° |
| O4' | C1' | N9 | 108.3° | 110.6° |
| C1' | O4' | C4' | 109.5° | 107.0° |
| O4' | C1' | H1 | 110.0° | 110.6° |
| C1' | N9 | C4 | 124.6° | 126.3° |
| C1' | N9 | C8 | 127.6° | 126.3° |
| N9 | C1' | H1 | 109.4° | 110.6° |
| C2' | C3' | C4' | 102.7° | 104.2° |
| C2' | C3' | O3' | 114.2° | 110.5° |
| C3' | C2' | H5 | 111.7° | 110.9° |
| C2' | C3' | H9 | 108.5° | 110.5° |
| O4' | C4' | C3' | 104.6° | 107.3° |
| O4' | C4' | C5' | 109.7° | 109.9° |
| O4' | C4' | H10 | 109.7° | 110.0° |
| N9 | C4 | C5 | 106.1° | 106.0° |
| C4 | N9 | C8 | 107.5° | 107.4° |
| C4 | C5 | C6 | 117.6° | 118.2° |
| C4 | C5 | N7 | 109.5° | 107.1° |
| N1 | C6 | C5 | 117.7° | 118.4° |
| N1 | C6 | N6 | 119.4° | 120.8° |
| N9 | C8 | N7 | 110.7° | 110.0° |
| N9 | C8 | H13 | 124.7° | 125.0° |
| C3' | C4' | C5' | 115.0° | 109.9° |
| C4' | C3' | O3' | 112.4° | 110.5° |
| C4' | C3' | H9 | 108.7° | 110.6° |
| C3' | C4' | H10 | 108.8° | 109.9° |
| C4' | C5' | O5' | 110.5° | 109.5° |
| C5' | C4' | H10 | 108.9° | 109.8° |
| C4' | C5' | H11 | 109.2° | 109.5° |
| C4' | C5' | H12 | 109.2° | 109.5° |
| O3' | C3' | H9 | 110.1° | 110.4° |
| C3' | O3' | H18 | 109.5° | 114.0° |
| C5 | C6 | N6 | 122.8° | 120.8° |
| C6 | C5 | N7 | 133.0° | 134.6° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| C6 | N6 | H15 | 109.4° | 120.1° |
| C5 | N7 | C8 | 106.2° | 109.4° |
| C5' | O5' | P | 120.8° | 123.0° |
| O5' | C5' | H11 | 109.2° | 109.5° |
| O5' | C5' | H12 | 109.2° | 109.5° |
| O5' | P | O2P | 106.0° | 109.5° |
| O5' | P | O1P | 105.4° | 109.5° |
| O5' | P | O3P | 101.8° | 109.5° |
| N7 | C8 | H13 | 124.7° | 125.0° |
| O2P | P | O1P | 121.2° | 109.5° |
| O2P | P | O3P | 116.0° | 109.5° |
| O1P | P | O3P | 104.3° | 109.4° |
| P | O1P | H16 | 109.5° | 114.0° |
| P | O3P | C1P | 121.9° | 123.0° |
| O3P | C1P | C2P | 106.0° | 109.5° |
| O3P | C1P | H2 | 110.3° | 109.5° |
| O3P | C1P | H3 | 110.3° | 109.5° |
| C2P | C1P | H2 | 110.3° | 109.5° |
| C2P | C1P | H3 | 110.3° | 109.4° |
| C1P | C2P | H6 | 109.5° | 109.4° |
| C1P | C2P | H7 | 109.5° | 109.5° |
| C1P | C2P | H8 | 109.4° | 109.5° |
| H2 | C1P | H3 | 109.5° | 109.5° |
| H6 | C2P | H7 | 109.5° | 109.5° |
| H6 | C2P | H8 | 109.5° | 109.5° |
| H7 | C2P | H8 | 109.4° | 109.5° |
| H11 | C5' | H12 | 109.5° | 109.5° |
| H14 | N6 | H15 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C1' | C3' | 115.9° | 118.2° |
| O2' | C2' | C1' | H5 | 125.3° | 123.6° |
| O2' | C2' | C1' | O4' | 88.3° | 155.2° |
| O2' | C2' | C1' | N9 | 152.3° | 86.3° |
| O2' | C2' | C3' | H5 | 127.8° | 123.6° |
| O2' | C2' | C3' | C4' | 76.2° | 139.1° |
| O2' | C2' | C3' | O3' | 45.7° | 20.4° |
| O2' | C2' | C1' | H1 | 31.0° | 36.7° |
| O2' | C2' | C3' | H9 | 168.8° | 102.1° |
| N3 | C2 | N1 | H4 | 180.0° | 179.8° |
| C2 | N3 | C4 | N9 | 179.1° | 179.9° |
| C2 | N3 | C4 | C5 | 1.6° | 0.0° |
| N3 | C2 | N1 | C6 | 0.2° | 0.2° |
| C4 | N3 | C2 | N1 | 1.1° | 0.0° |
| N3 | C4 | N9 | C1' | 4.1° | 0.1° |
| N3 | C4 | N9 | C5 | 179.3° | 180.0° |
| N3 | C4 | N9 | C8 | 177.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.2° |
| N3 | C4 | C5 | N7 | 178.9° | 180.0° |
| C4 | N3 | C2 | H4 | 178.9° | 179.7° |
| C2 | N1 | C6 | C5 | 1.2° | 0.5° |
| C2 | N1 | C6 | N6 | 179.4° | 180.0° |
| C2' | C1' | O4' | N9 | 122.1° | 118.5° |
| C2' | C1' | O4' | H1 | 118.4° | 118.5° |
| C2' | C1' | N9 | H1 | 120.9° | 123.0° |
| C1' | C2' | C3' | H5 | 118.9° | 118.2° |
| C2' | C1' | O4' | C4' | 6.8° | 40.0° |
| C2' | C1' | N9 | C4 | 68.8° | 84.9° |
| C2' | C1' | N9 | C8 | 118.6° | 95.0° |
| C1' | C2' | C3' | C4' | 37.1° | 20.9° |
| C1' | C2' | C3' | O3' | 159.0° | 97.8° |
| C1' | C2' | C3' | H9 | 77.9° | 139.7° |
| C1' | C2' | O2' | H17 | 180.0° | 180.0° |
| O4' | C1' | N9 | H1 | 119.9° | 122.9° |
| O4' | C1' | C2' | C3' | 27.6° | 37.0° |
| O4' | C1' | N9 | C4 | 172.0° | 161.0° |
| O4' | C1' | N9 | C8 | 0.6° | 19.1° |
| C1' | O4' | C4' | C3' | 17.5° | 26.5° |
| C1' | O4' | C4' | C5' | 141.4° | 145.9° |
| O4' | C1' | C2' | H5 | 146.4° | 81.2° |
| C1' | O4' | C4' | H10 | 99.1° | 93.0° |
| N9 | C1' | C2' | C3' | 91.8° | 155.5° |
| N9 | C1' | O4' | C4' | 115.3° | 158.6° |
| C1' | N9 | C4 | C8 | 173.8° | 179.9° |
| C1' | N9 | C4 | C5 | 175.3° | 179.9° |
| C1' | N9 | C8 | N7 | 175.6° | 179.9° |
| N9 | C1' | C2' | H5 | 26.9° | 37.3° |
| C1' | N9 | C8 | H13 | 4.4° | 0.0° |
| C2' | C3' | C4' | O4' | 34.4° | 2.0° |
| C2' | C3' | C4' | O3' | 123.1° | 118.7° |
| C2' | C3' | C4' | H9 | 114.8° | 118.7° |
| C2' | C3' | C4' | C5' | 154.8° | 121.5° |
| C2' | C3' | O3' | H9 | 122.2° | 122.5° |
| C3' | C2' | C1' | H1 | 146.9° | 81.5° |
| C2' | C3' | C4' | H10 | 82.8° | 117.6° |
| C3' | C2' | O2' | H17 | 71.1° | 67.3° |
| C2' | C3' | O3' | H18 | 180.0° | 61.4° |
| O4' | C4' | C3' | C5' | 120.4° | 119.4° |
| O4' | C4' | C3' | H10 | 117.2° | 119.6° |
| O4' | C4' | C5' | H10 | 120.1° | 121.1° |
| O4' | C4' | C3' | O3' | 157.5° | 120.7° |
| O4' | C4' | C5' | O5' | 57.7° | 67.1° |
| C4' | O4' | C1' | H1 | 125.2° | 78.5° |
| O4' | C4' | C3' | H9 | 80.4° | 116.7° |
| O4' | C4' | C5' | H11 | 177.8° | 172.9° |
| O4' | C4' | C5' | H12 | 62.5° | 52.9° |
| N9 | C4 | C5 | C6 | 179.8° | 179.8° |
| N9 | C4 | C5 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | N7 | 2.0° | 0.0° |
| C4 | N9 | C1' | H1 | 52.1° | 38.0° |
| C4 | N9 | C8 | H13 | 178.0° | 179.9° |
| C4 | C5 | C6 | N1 | 0.7° | 0.5° |
| C5 | C4 | N9 | C8 | 1.4° | 0.0° |
| C4 | C5 | C6 | N7 | 179.6° | 179.7° |
| C4 | C5 | C6 | N6 | 178.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.8° | 0.0° |
| N1 | C6 | C5 | N6 | 178.2° | 179.5° |
| N1 | C6 | C5 | N7 | 179.7° | 179.8° |
| C6 | N1 | C2 | H4 | 179.7° | 180.0° |
| N1 | C6 | N6 | H14 | 0.0° | 179.5° |
| N1 | C6 | N6 | H15 | 120.0° | 0.5° |
| N9 | C8 | N7 | C5 | 1.7° | 0.0° |
| N9 | C8 | N7 | H13 | 180.0° | 179.9° |
| C8 | N9 | C1' | H1 | 120.5° | 142.1° |
| C3' | C4' | C5' | H10 | 122.4° | 121.0° |
| C4' | C3' | O3' | H9 | 121.3° | 122.7° |
| C3' | C4' | C5' | O5' | 175.2° | 175.0° |
| C4' | C3' | C2' | H5 | 156.0° | 97.4° |
| C3' | C4' | C5' | H11 | 64.6° | 55.0° |
| C3' | C4' | C5' | H12 | 55.1° | 65.0° |
| C4' | C3' | O3' | H18 | 63.6° | 176.2° |
| C5' | C4' | C3' | O3' | 82.1° | 119.9° |
| C4' | C5' | O5' | H11 | 120.1° | 120.0° |
| C4' | C5' | O5' | H12 | 120.1° | 120.0° |
| C4' | C5' | O5' | P | 179.5° | 180.0° |
| C5' | C4' | C3' | H9 | 40.0° | 2.7° |
| C4' | C5' | H11 | H12 | 119.5° | 120.0° |
| O3' | C3' | C2' | H5 | 82.1° | 144.0° |
| O3' | C3' | C4' | H10 | 40.3° | 1.1° |
| C6 | C5 | N7 | C8 | 178.9° | 179.7° |
| C5 | C6 | N6 | H14 | 178.1° | 0.1° |
| C5 | C6 | N6 | H15 | 61.8° | 180.0° |
| N6 | C6 | C5 | N7 | 1.5° | 0.3° |
| C6 | N6 | H14 | H15 | 120.0° | 179.9° |
| C5 | N7 | C8 | H13 | 178.3° | 179.9° |
| C5' | O5' | P | O2P | 173.4° | 55.0° |
| C5' | O5' | P | O1P | 56.9° | 65.0° |
| C5' | O5' | P | O3P | 51.8° | 175.0° |
| O5' | C5' | C4' | H10 | 62.4° | 54.0° |
| O5' | C5' | H11 | H12 | 119.6° | 120.0° |
| O5' | P | O2P | O1P | 119.8° | 120.0° |
| O5' | P | O2P | O3P | 112.0° | 120.1° |
| O5' | P | O1P | O3P | 106.8° | 120.0° |
| O5' | P | O3P | C1P | 79.5° | 175.0° |
| P | O5' | C5' | H11 | 59.3° | 60.0° |
| P | O5' | C5' | H12 | 60.4° | 60.0° |
| O5' | P | O1P | H16 | 120.0° | 59.9° |
| O2P | P | O1P | O3P | 133.1° | 120.0° |
| O2P | P | O3P | C1P | 34.9° | 55.0° |
| O2P | P | O1P | H16 | 0.0° | 179.9° |
| O1P | P | O3P | C1P | 171.0° | 65.0° |
| P | O3P | C1P | C2P | 168.8° | 180.0° |
| P | O3P | C1P | H2 | 49.4° | 60.1° |
| P | O3P | C1P | H3 | 71.7° | 60.0° |
| O3P | P | O1P | H16 | 133.2° | 60.1° |
| O3P | C1P | C2P | H2 | 119.4° | 120.0° |
| O3P | C1P | C2P | H3 | 119.5° | 120.0° |
| O3P | C1P | H2 | H3 | 121.6° | 120.0° |
| O3P | C1P | C2P | H6 | 180.0° | 60.0° |
| O3P | C1P | C2P | H7 | 60.0° | 60.0° |
| O3P | C1P | C2P | H8 | 60.0° | 180.0° |
| C2P | C1P | H2 | H3 | 121.6° | 120.0° |
| C1P | C2P | H6 | H7 | 120.0° | 120.0° |
| C1P | C2P | H6 | H8 | 120.0° | 120.0° |
| C1P | C2P | H7 | H8 | 120.0° | 120.0° |
| H1 | C1' | C2' | H5 | 94.3° | 160.3° |
| H2 | C1P | C2P | H6 | 60.6° | 60.0° |
| H2 | C1P | C2P | H7 | 179.4° | 180.0° |
| H2 | C1P | C2P | H8 | 59.5° | 60.0° |
| H3 | C1P | C2P | H6 | 60.5° | 180.0° |
| H3 | C1P | C2P | H7 | 59.5° | 60.0° |
| H3 | C1P | C2P | H8 | 179.5° | 60.0° |
| H5 | C2' | C3' | H9 | 41.0° | 21.5° |
| H5 | C2' | O2' | H17 | 55.7° | 56.3° |
| H6 | C2P | H7 | H8 | 120.0° | 120.0° |
| H9 | C3' | C4' | H10 | 162.4° | 123.7° |
| H9 | C3' | O3' | H18 | 57.8° | 61.1° |
| H10 | C4' | C5' | H11 | 57.7° | 66.0° |
| H10 | C4' | C5' | H12 | 177.4° | 174.0° |
