ADU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.41Å | 1.41Å | |
| N1 | C6 | sing | 1.39Å | 1.43Å | |
| N1 | C1' | sing | 1.44Å | 1.53Å | |
| C2 | O2 | doub | 1.23Å | 1.22Å | |
| C2 | N3 | sing | 1.40Å | 1.40Å | |
| N3 | C4 | sing | 1.39Å | 1.38Å | |
| N3 | HN3 | sing | 1.02Å | 1.02Å | |
| C4 | O4 | doub | 1.23Å | 1.24Å | |
| C4 | C5 | sing | 1.48Å | 1.44Å | |
| C5 | C6 | doub | 1.33Å | 1.38Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | C2' | sing | 1.52Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| O4' | C4' | sing | 1.44Å | 1.50Å | |
| C4' | C5' | sing | 1.52Å | 1.53Å | |
| C4' | C3' | sing | 1.53Å | 1.48Å | |
| C4' | H4' | sing | 1.10Å | 1.12Å | |
| C5' | O5' | sing | 1.42Å | 1.43Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C3' | N3' | sing | 1.45Å | 1.44Å | |
| C3' | C2' | sing | 1.52Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| N3' | C8' | sing | 1.38Å | 1.34Å | |
| N3' | HN3' | sing | 1.02Å | 1.02Å | |
| C8' | O8' | doub | 1.23Å | 1.25Å | |
| C8' | C9' | sing | 1.49Å | 1.53Å | |
| C9' | H9'1 | sing | 1.10Å | 1.11Å | |
| C9' | H9'2 | sing | 1.10Å | 1.12Å | |
| C9' | H9'3 | sing | 1.10Å | 1.12Å | |
| C2' | O2' | sing | 1.41Å | 73.62Å | |
| C2' | H2' | sing | 1.10Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 116.5° | 120.1° |
| C2 | N1 | C1' | 118.2° | 121.3° |
| N1 | C2 | O2 | 121.7° | 123.8° |
| N1 | C2 | N3 | 118.7° | 115.2° |
| C6 | N1 | C1' | 125.2° | 118.6° |
| N1 | C6 | C5 | 122.5° | 124.1° |
| N1 | C6 | H6 | 120.3° | 115.4° |
| N1 | C1' | O4' | 116.3° | 108.9° |
| N1 | C1' | C2' | 128.6° | 112.4° |
| N1 | C1' | H1' | 83.5° | 107.3° |
| O2 | C2 | N3 | 119.6° | 121.1° |
| C2 | N3 | C4 | 127.2° | 126.8° |
| C2 | N3 | HN3 | 117.0° | 116.6° |
| C4 | N3 | HN3 | 115.8° | 116.6° |
| N3 | C4 | O4 | 121.0° | 124.5° |
| N3 | C4 | C5 | 112.9° | 114.6° |
| O4 | C4 | C5 | 126.1° | 120.9° |
| C4 | C5 | C6 | 122.2° | 119.3° |
| C4 | C5 | H5 | 121.1° | 118.7° |
| C6 | C5 | H5 | 116.8° | 122.0° |
| C5 | C6 | H6 | 117.2° | 120.5° |
| O4' | C1' | C2' | 105.5° | 106.7° |
| O4' | C1' | H1' | 120.1° | 108.9° |
| C1' | O4' | C4' | 110.7° | 109.2° |
| C2' | C1' | H1' | 101.0° | 112.7° |
| C1' | C2' | C3' | 102.7° | 102.4° |
| C1' | C2' | O2' | 103.0° | 112.0° |
| C1' | C2' | H2' | 106.3° | 110.8° |
| O4' | C4' | C5' | 108.4° | 108.2° |
| O4' | C4' | C3' | 104.4° | 106.4° |
| O4' | C4' | H4' | 114.6° | 108.2° |
| C5' | C4' | C3' | 112.9° | 113.0° |
| C5' | C4' | H4' | 106.4° | 108.5° |
| C4' | C5' | O5' | 114.4° | 108.6° |
| C4' | C5' | H5'1 | 110.4° | 110.0° |
| C4' | C5' | H5'2 | 110.4° | 110.1° |
| C3' | C4' | H4' | 110.2° | 112.4° |
| C4' | C3' | N3' | 117.9° | 110.7° |
| C4' | C3' | C2' | 105.3° | 101.9° |
| C4' | C3' | H3' | 108.7° | 113.4° |
| O5' | C5' | H5'1 | 110.4° | 109.3° |
| O5' | C5' | H5'2 | 110.4° | 109.2° |
| C5' | O5' | HO5' | 114.5° | 107.0° |
| H5'1 | C5' | H5'2 | 99.9° | 109.7° |
| N3' | C3' | C2' | 114.7° | 112.1° |
| N3' | C3' | H3' | 97.8° | 106.0° |
| C3' | N3' | C8' | 116.4° | 123.1° |
| C3' | N3' | HN3' | 125.3° | 118.4° |
| C2' | C3' | H3' | 112.4° | 112.8° |
| C3' | C2' | O2' | 24.4° | 113.7° |
| C3' | C2' | H2' | 148.5° | 109.6° |
| C8' | N3' | HN3' | 118.3° | 118.5° |
| N3' | C8' | O8' | 122.6° | 126.5° |
| N3' | C8' | C9' | 117.2° | 114.0° |
| O8' | C8' | C9' | 120.1° | 119.5° |
| C8' | C9' | H9'1 | 117.2° | 112.5° |
| C8' | C9' | H9'2 | 109.4° | 112.4° |
| C8' | C9' | H9'3 | 109.4° | 115.3° |
| H9'1 | C9' | H9'2 | 109.4° | 105.3° |
| H9'1 | C9' | H9'3 | 109.4° | 105.3° |
| H9'2 | C9' | H9'3 | 100.7° | 105.2° |
| O2' | C2' | H2' | 148.2° | 108.2° |
| C2' | O2' | HO2' | 103.0° | 107.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 178.0° | 180.0° |
| N1 | C2 | O2 | N3 | 179.2° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| N1 | C2 | N3 | HN3 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| C2 | N1 | C6 | H6 | 179.5° | 180.0° |
| C2 | N1 | C1' | O4' | 171.6° | 147.7° |
| C2 | N1 | C1' | C2' | 47.7° | 94.3° |
| C2 | N1 | C1' | H1' | 51.1° | 30.1° |
| C6 | N1 | C2 | O2 | 179.6° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H5 | 179.7° | 179.9° |
| C6 | N1 | C1' | O4' | 6.4° | 32.3° |
| C6 | N1 | C1' | C2' | 134.3° | 85.7° |
| C6 | N1 | C1' | H1' | 126.8° | 150.0° |
| C1' | N1 | C2 | O2 | 2.2° | 0.0° |
| C1' | N1 | C2 | N3 | 178.6° | 180.0° |
| C1' | N1 | C6 | C5 | 178.5° | 180.0° |
| C1' | N1 | C6 | H6 | 1.5° | 0.1° |
| N1 | C1' | O4' | C2' | 149.1° | 121.5° |
| N1 | C1' | O4' | H1' | 98.0° | 116.7° |
| N1 | C1' | C2' | H1' | 90.4° | 121.3° |
| N1 | C1' | O4' | C4' | 139.7° | 132.7° |
| N1 | C1' | C2' | C3' | 117.5° | 149.2° |
| N1 | C1' | C2' | O2' | 142.6° | 88.6° |
| N1 | C1' | C2' | H2' | 50.0° | 32.3° |
| O2 | C2 | N3 | C4 | 179.5° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.6° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.7° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| N3 | C4 | O4 | C5 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | H5 | 180.0° | 179.9° |
| HN3 | N3 | C4 | O4 | 0.3° | 0.0° |
| HN3 | N3 | C4 | C5 | 180.0° | 180.0° |
| O4 | C4 | C5 | C6 | 179.6° | 180.0° |
| O4 | C4 | C5 | H5 | 0.3° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.1° |
| O4' | C1' | C2' | H1' | 125.7° | 119.4° |
| C1' | O4' | C4' | C5' | 132.8° | 109.4° |
| C1' | O4' | C4' | C3' | 12.2° | 12.3° |
| C1' | O4' | C4' | H4' | 108.6° | 133.3° |
| O4' | C1' | C2' | C3' | 26.3° | 29.9° |
| O4' | C1' | C2' | O2' | 1.3° | 152.1° |
| O4' | C1' | C2' | H2' | 166.1° | 86.9° |
| C2' | C1' | O4' | C4' | 9.4° | 11.2° |
| C1' | C2' | C3' | C4' | 34.2° | 35.9° |
| C1' | C2' | C3' | N3' | 165.5° | 82.5° |
| C1' | C2' | C3' | O2' | 93.5° | 121.0° |
| C1' | C2' | C3' | H2' | 156.6° | 117.7° |
| C1' | C2' | C3' | H3' | 83.9° | 157.9° |
| C1' | C2' | O2' | H2' | 156.6° | 122.5° |
| C1' | C2' | O2' | HO2' | 180.0° | 136.4° |
| H1' | C1' | O4' | C4' | 122.3° | 110.7° |
| H1' | C1' | C2' | C3' | 152.1° | 89.5° |
| H1' | C1' | C2' | O2' | 127.0° | 32.7° |
| H1' | C1' | C2' | H2' | 40.4° | 153.7° |
| O4' | C4' | C5' | C3' | 115.2° | 117.5° |
| O4' | C4' | C5' | H4' | 123.7° | 117.1° |
| O4' | C4' | C3' | H4' | 123.6° | 118.2° |
| O4' | C4' | C5' | O5' | 55.8° | 62.1° |
| O4' | C4' | C5' | H5'1 | 179.0° | 57.5° |
| O4' | C4' | C5' | H5'2 | 69.5° | 178.4° |
| O4' | C4' | C3' | N3' | 158.2° | 89.1° |
| O4' | C4' | C3' | C2' | 28.7° | 30.4° |
| O4' | C4' | C3' | H3' | 91.9° | 152.0° |
| C5' | C4' | C3' | H4' | 118.8° | 123.2° |
| C4' | C5' | O5' | H5'1 | 125.2° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 116.3° | 121.2° |
| C4' | C5' | O5' | HO5' | 179.9° | 127.9° |
| C5' | C4' | C3' | N3' | 84.2° | 152.4° |
| C5' | C4' | C3' | C2' | 146.3° | 88.2° |
| C5' | C4' | C3' | H3' | 25.7° | 33.4° |
| C3' | C4' | C5' | O5' | 171.0° | 179.6° |
| C3' | C4' | C5' | H5'1 | 63.7° | 60.0° |
| C3' | C4' | C5' | H5'2 | 45.8° | 60.9° |
| C4' | C3' | N3' | C2' | 124.9° | 113.1° |
| C4' | C3' | N3' | H3' | 116.0° | 123.4° |
| C4' | C3' | C2' | H3' | 118.1° | 122.0° |
| C4' | C3' | N3' | C8' | 145.0° | 93.4° |
| C4' | C3' | N3' | HN3' | 35.0° | 86.6° |
| C4' | C3' | C2' | O2' | 59.3° | 156.9° |
| C4' | C3' | C2' | H2' | 169.2° | 81.8° |
| H4' | C4' | C5' | O5' | 67.9° | 55.0° |
| H4' | C4' | C5' | H5'1 | 57.3° | 174.6° |
| H4' | C4' | C5' | H5'2 | 166.8° | 64.4° |
| H4' | C4' | C3' | N3' | 34.6° | 29.2° |
| H4' | C4' | C3' | C2' | 94.9° | 148.6° |
| H4' | C4' | C3' | H3' | 144.5° | 89.8° |
| O5' | C5' | H5'1 | H5'2 | 116.2° | 119.7° |
| H5'1 | C5' | O5' | HO5' | 54.7° | 7.9° |
| H5'2 | C5' | O5' | HO5' | 54.8° | 112.1° |
| N3' | C3' | C2' | H3' | 110.6° | 119.6° |
| C3' | N3' | C8' | HN3' | 180.0° | 180.0° |
| C3' | N3' | C8' | O8' | 2.5° | 0.0° |
| C3' | N3' | C8' | C9' | 179.5° | 180.0° |
| N3' | C3' | C2' | O2' | 72.0° | 38.5° |
| N3' | C3' | C2' | H2' | 37.9° | 159.8° |
| C2' | C3' | N3' | C8' | 90.1° | 153.5° |
| C2' | C3' | N3' | HN3' | 89.9° | 26.5° |
| C3' | C2' | O2' | H2' | 111.2° | 122.0° |
| C3' | C2' | O2' | HO2' | 87.8° | 20.9° |
| H3' | C3' | N3' | C8' | 29.0° | 30.0° |
| H3' | C3' | N3' | HN3' | 151.0° | 150.0° |
| H3' | C3' | C2' | O2' | 177.4° | 81.1° |
| H3' | C3' | C2' | H2' | 72.7° | 40.2° |
| N3' | C8' | O8' | C9' | 178.0° | 179.9° |
| N3' | C8' | C9' | H9'1 | 180.0° | 120.8° |
| N3' | C8' | C9' | H9'2 | 54.7° | 120.5° |
| N3' | C8' | C9' | H9'3 | 54.7° | 0.1° |
| HN3' | N3' | C8' | O8' | 177.5° | 180.0° |
| HN3' | N3' | C8' | C9' | 0.5° | 0.1° |
| O8' | C8' | C9' | H9'1 | 1.9° | 59.3° |
| O8' | C8' | C9' | H9'2 | 123.3° | 59.4° |
| O8' | C8' | C9' | H9'3 | 127.2° | 180.0° |
| C8' | C9' | H9'1 | H9'2 | 125.3° | 122.8° |
| C8' | C9' | H9'1 | H9'3 | 125.3° | 126.3° |
| C8' | C9' | H9'2 | H9'3 | 115.2° | 126.2° |
| H9'1 | C9' | H9'2 | H9'3 | 115.1° | 111.0° |
| H2' | C2' | O2' | HO2' | 23.4° | 101.2° |
