MDQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O5' | sing | 1.61Å | 1.52Å | |
| P | O8 | sing | 1.61Å | 1.51Å | |
| N1 | C1' | sing | 1.46Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.26Å | |
| N3 | C2 | sing | 1.33Å | 1.38Å | |
| N3 | C20 | sing | 1.46Å | 1.45Å | |
| C4 | N3 | doub | 1.33Å | 1.37Å | |
| N4 | C4 | sing | 1.38Å | 1.40Å | |
| N4 | H1N4 | sing | 0.97Å | 1.00Å | |
| N4 | H2N4 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C5 | C4 | sing | 1.41Å | 1.40Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | N1 | sing | 1.36Å | 1.37Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1P | P | doub | 1.48Å | 1.48Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | C1' | sing | 1.54Å | 1.55Å | |
| C2' | H12' | sing | 1.09Å | 1.10Å | |
| C2' | H22' | sing | 1.09Å | 1.10Å | |
| C20 | O21 | sing | 1.43Å | 1.42Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| O2P | P | sing | 1.61Å | 1.51Å | |
| O2P | H15 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.55Å | |
| C5' | H15' | sing | 1.09Å | 1.10Å | |
| C5' | H25' | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.34Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å | |
| C20 | H161 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5' | P | O8 | 108.0° | 109.5° |
| O5' | P | O1P | 110.5° | 109.4° |
| O5' | P | O2P | 109.7° | 109.5° |
| P | O5' | C5' | 128.2° | 123.0° |
| O8 | P | O1P | 109.8° | 109.5° |
| O8 | P | O2P | 108.9° | 109.5° |
| P | O8 | H16 | 109.5° | 114.0° |
| C1' | N1 | C2 | 121.0° | 119.9° |
| C1' | N1 | C6 | 120.3° | 119.9° |
| N1 | C1' | H1' | 102.6° | 109.9° |
| N1 | C1' | C2' | 111.6° | 109.9° |
| N1 | C1' | O4' | 115.8° | 109.8° |
| N1 | C2 | O2 | 118.9° | 119.4° |
| N1 | C2 | N3 | 121.9° | 121.1° |
| C2 | N1 | C6 | 118.7° | 120.3° |
| O2 | C2 | N3 | 119.2° | 119.4° |
| C2 | N3 | C20 | 120.2° | 119.7° |
| C2 | N3 | C4 | 119.0° | 120.7° |
| C20 | N3 | C4 | 120.7° | 119.6° |
| N3 | C20 | O21 | 109.4° | 109.5° |
| N3 | C20 | H20 | 109.5° | 109.5° |
| N3 | C20 | H161 | 109.5° | 109.5° |
| N3 | C4 | N4 | 123.0° | 120.2° |
| N3 | C4 | C5 | 120.7° | 119.6° |
| C4 | N4 | H1N4 | 120.0° | 120.0° |
| C4 | N4 | H2N4 | 120.0° | 120.0° |
| N4 | C4 | C5 | 116.3° | 120.2° |
| H1N4 | N4 | H2N4 | 120.0° | 120.0° |
| C6 | C5 | C4 | 118.2° | 119.0° |
| C6 | C5 | H5 | 120.9° | 120.5° |
| C5 | C6 | N1 | 121.4° | 119.3° |
| C5 | C6 | H6 | 119.3° | 120.4° |
| C4 | C5 | H5 | 120.9° | 120.5° |
| N1 | C6 | H6 | 119.3° | 120.3° |
| H1' | C1' | C2' | 112.1° | 109.9° |
| H1' | C1' | O4' | 107.6° | 109.9° |
| O1P | P | O2P | 109.9° | 109.5° |
| C3' | C2' | C1' | 103.8° | 104.2° |
| C3' | C2' | H12' | 111.4° | 110.5° |
| C3' | C2' | H22' | 111.4° | 110.5° |
| C2' | C3' | O3' | 110.4° | 110.9° |
| C2' | C3' | H3' | 113.8° | 110.9° |
| C2' | C3' | C4' | 102.3° | 102.1° |
| C1' | C2' | H12' | 111.4° | 110.5° |
| C1' | C2' | H22' | 111.4° | 110.5° |
| C2' | C1' | O4' | 107.1° | 107.4° |
| H12' | C2' | H22' | 107.5° | 110.5° |
| O21 | C20 | H20 | 109.5° | 109.5° |
| O21 | C20 | H161 | 109.5° | 109.4° |
| H20 | C20 | H161 | 109.5° | 109.5° |
| P | O2P | H15 | 109.5° | 114.0° |
| O3' | C3' | H3' | 106.1° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | C4' | 110.5° | 110.9° |
| H3' | C3' | C4' | 113.8° | 111.0° |
| O4' | C4' | C3' | 105.6° | 103.6° |
| O4' | C4' | H4' | 113.0° | 110.7° |
| C4' | O4' | C1' | 109.9° | 106.8° |
| O4' | C4' | C5' | 110.9° | 110.6° |
| C3' | C4' | H4' | 109.1° | 110.4° |
| C3' | C4' | C5' | 114.7° | 110.7° |
| H4' | C4' | C5' | 103.7° | 110.7° |
| C4' | C5' | H15' | 109.9° | 109.4° |
| C4' | C5' | H25' | 109.8° | 109.5° |
| C4' | C5' | O5' | 108.3° | 109.4° |
| H15' | C5' | H25' | 109.1° | 109.5° |
| H15' | C5' | O5' | 109.8° | 109.5° |
| H25' | C5' | O5' | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | P | O8 | O1P | 120.5° | 119.9° |
| O5' | P | O8 | O2P | 119.0° | 120.0° |
| O5' | P | O1P | O2P | 121.2° | 120.0° |
| O5' | P | O2P | H15 | 121.7° | 60.0° |
| P | O5' | C5' | C4' | 169.2° | 180.0° |
| P | O5' | C5' | H15' | 70.8° | 60.1° |
| P | O5' | C5' | H25' | 49.2° | 60.0° |
| O5' | P | O8 | H16 | 120.5° | 180.0° |
| O8 | P | O1P | O2P | 119.8° | 120.1° |
| O8 | P | O2P | H15 | 120.4° | 60.0° |
| O8 | P | O5' | C5' | 172.9° | 175.0° |
| C1' | N1 | C2 | C6 | 178.2° | 179.7° |
| C1' | N1 | C2 | O2 | 3.2° | 0.0° |
| C1' | N1 | C2 | N3 | 176.3° | 180.0° |
| C1' | N1 | C6 | C5 | 175.7° | 179.7° |
| C1' | N1 | C6 | H6 | 4.3° | 0.3° |
| N1 | C1' | H1' | C2' | 119.9° | 121.0° |
| N1 | C1' | H1' | O4' | 122.6° | 121.0° |
| N1 | C1' | C2' | C3' | 144.0° | 121.4° |
| N1 | C1' | C2' | O4' | 127.7° | 119.4° |
| N1 | C1' | C2' | H12' | 24.0° | 119.9° |
| N1 | C1' | C2' | H22' | 96.0° | 2.7° |
| N1 | C1' | O4' | C4' | 120.2° | 145.9° |
| N1 | C2 | O2 | N3 | 179.5° | 180.0° |
| N1 | C2 | N3 | C20 | 178.6° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 2.5° | 0.6° |
| C2 | N1 | C6 | H6 | 177.5° | 180.0° |
| C2 | N1 | C1' | H1' | 50.1° | 5.7° |
| C2 | N1 | C1' | C2' | 70.1° | 115.3° |
| C2 | N1 | C1' | O4' | 167.0° | 126.7° |
| O2 | C2 | N3 | C20 | 0.9° | 0.0° |
| O2 | C2 | N3 | C4 | 179.1° | 180.0° |
| O2 | C2 | N1 | C6 | 178.6° | 179.7° |
| C2 | N3 | C20 | C4 | 178.2° | 180.0° |
| C2 | N3 | C4 | N4 | 176.4° | 179.9° |
| C2 | N3 | C4 | C5 | 2.2° | 0.0° |
| N3 | C2 | N1 | C6 | 2.0° | 0.3° |
| C2 | N3 | C20 | O21 | 81.2° | 105.0° |
| C2 | N3 | C20 | H20 | 38.8° | 135.0° |
| C2 | N3 | C20 | H161 | 158.8° | 15.0° |
| C20 | N3 | C4 | N4 | 1.8° | 0.1° |
| C20 | N3 | C4 | C5 | 179.6° | 180.0° |
| N3 | C20 | O21 | H20 | 120.0° | 120.1° |
| N3 | C20 | O21 | H161 | 120.0° | 120.0° |
| N3 | C20 | H20 | H161 | 120.0° | 120.0° |
| N3 | C4 | N4 | C5 | 178.7° | 180.0° |
| N3 | C4 | N4 | H1N4 | 178.7° | 0.0° |
| N3 | C4 | N4 | H2N4 | 1.3° | 180.0° |
| N3 | C4 | C5 | C6 | 1.6° | 0.3° |
| N3 | C4 | C5 | H5 | 178.4° | 179.7° |
| C4 | N3 | C20 | O21 | 97.0° | 75.0° |
| C4 | N3 | C20 | H20 | 143.0° | 45.0° |
| C4 | N3 | C20 | H161 | 23.0° | 165.0° |
| C4 | N4 | H1N4 | H2N4 | 180.0° | 180.0° |
| N4 | C4 | C5 | C6 | 177.1° | 179.6° |
| N4 | C4 | C5 | H5 | 2.9° | 0.2° |
| H1N4 | N4 | C4 | C5 | 0.0° | 180.0° |
| H2N4 | N4 | C4 | C5 | 180.0° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.4° |
| C5 | C6 | N1 | H6 | 180.0° | 179.4° |
| C4 | C5 | C6 | N1 | 0.8° | 0.6° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| H5 | C5 | C6 | N1 | 179.2° | 180.0° |
| H5 | C5 | C6 | H6 | 0.8° | 0.6° |
| C6 | N1 | C1' | H1' | 131.7° | 174.0° |
| C6 | N1 | C1' | C2' | 108.1° | 64.9° |
| C6 | N1 | C1' | O4' | 14.8° | 53.0° |
| H1' | C1' | C2' | C3' | 101.5° | 117.5° |
| H1' | C1' | C2' | O4' | 117.8° | 119.5° |
| H1' | C1' | C2' | H12' | 138.5° | 1.1° |
| H1' | C1' | C2' | H22' | 18.5° | 123.8° |
| H1' | C1' | O4' | C4' | 125.8° | 93.2° |
| O1P | P | O2P | H15 | 0.0° | 180.0° |
| O1P | P | O5' | C5' | 67.0° | 55.0° |
| O1P | P | O8 | H16 | 0.0° | 60.1° |
| C3' | C2' | C1' | H12' | 120.0° | 118.6° |
| C3' | C2' | C1' | H22' | 120.0° | 118.7° |
| C3' | C2' | H12' | H22' | 122.3° | 122.6° |
| C2' | C3' | O3' | H3' | 123.8° | 123.6° |
| C2' | C3' | O3' | C4' | 112.5° | 112.7° |
| C2' | C3' | H3' | C4' | 116.7° | 112.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | O4' | 33.4° | 37.0° |
| C2' | C3' | C4' | H4' | 155.2° | 81.5° |
| C3' | C2' | C1' | O4' | 16.2° | 2.0° |
| C2' | C3' | C4' | C5' | 89.0° | 155.5° |
| C1' | C2' | H12' | H22' | 122.3° | 122.6° |
| C1' | C2' | C3' | O3' | 88.1° | 139.1° |
| C1' | C2' | C3' | H3' | 152.6° | 97.4° |
| C2' | C1' | O4' | C4' | 5.1° | 26.4° |
| C1' | C2' | C3' | C4' | 29.5° | 20.9° |
| H12' | C2' | C3' | O3' | 151.8° | 20.4° |
| H12' | C2' | C3' | H3' | 32.6° | 143.9° |
| H12' | C2' | C3' | C4' | 90.5° | 97.8° |
| H12' | C2' | C1' | O4' | 103.8° | 120.6° |
| H22' | C2' | C3' | O3' | 31.8° | 102.2° |
| H22' | C2' | C3' | H3' | 87.4° | 21.3° |
| H22' | C2' | C3' | C4' | 149.5° | 139.6° |
| H22' | C2' | C1' | O4' | 136.2° | 116.7° |
| O21 | C20 | H20 | H161 | 120.1° | 120.0° |
| O2P | P | O5' | C5' | 54.4° | 65.0° |
| O2P | P | O8 | H16 | 120.4° | 60.0° |
| O3' | C3' | H3' | C4' | 121.7° | 123.7° |
| O3' | C3' | C4' | O4' | 84.2° | 155.2° |
| O3' | C3' | C4' | H4' | 37.7° | 36.7° |
| O3' | C3' | C4' | C5' | 153.5° | 86.3° |
| H3' | C3' | O3' | HO3' | 56.2° | 62.2° |
| H3' | C3' | C4' | O4' | 156.6° | 81.2° |
| H3' | C3' | C4' | H4' | 81.6° | 160.3° |
| H3' | C3' | C4' | C5' | 34.2° | 37.3° |
| HO3' | O3' | C3' | C4' | 67.6° | 174.1° |
| O4' | C4' | C3' | H4' | 121.8° | 118.5° |
| O4' | C4' | C3' | C5' | 122.4° | 118.5° |
| O4' | C4' | H4' | C5' | 120.2° | 123.0° |
| O4' | C4' | C5' | H15' | 176.2° | 173.6° |
| O4' | C4' | C5' | H25' | 63.8° | 53.5° |
| O4' | C4' | C5' | O5' | 56.2° | 66.5° |
| C3' | C4' | H4' | C5' | 122.6° | 123.0° |
| C3' | C4' | O4' | C1' | 24.4° | 39.9° |
| C3' | C4' | C5' | H15' | 64.3° | 59.4° |
| C3' | C4' | C5' | H25' | 55.7° | 60.7° |
| C3' | C4' | C5' | O5' | 175.7° | 179.3° |
| H4' | C4' | O4' | C1' | 143.6° | 78.4° |
| H4' | C4' | C5' | H15' | 54.6° | 63.4° |
| H4' | C4' | C5' | H25' | 174.6° | 176.5° |
| H4' | C4' | C5' | O5' | 65.4° | 56.5° |
| C1' | O4' | C4' | C5' | 100.4° | 158.5° |
| C4' | C5' | H15' | H25' | 120.5° | 120.1° |
| C4' | C5' | H15' | O5' | 119.1° | 119.9° |
| C4' | C5' | H25' | O5' | 119.1° | 120.0° |
| H15' | C5' | H25' | O5' | 120.5° | 120.0° |
