MDV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.52Å | |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| N1 | C6 | sing | 1.38Å | 1.33Å | |
| N1 | C22 | sing | 1.47Å | 1.42Å | |
| C2 | N3 | doub | 1.30Å | 1.36Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.34Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.37Å | |
| C5 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| C6 | N6 | doub | 1.31Å | 1.27Å | |
| N6 | C23 | sing | 1.47Å | 1.39Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.47Å | 1.44Å | |
| C1' | C2' | sing | 1.54Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.54Å | 1.55Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C23 | O26 | sing | 1.43Å | 1.43Å | |
| O2P | H13 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.34Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O8 | P | sing | 1.61Å | 1.51Å | |
| O8 | H14 | sing | 0.97Å | 0.95Å | |
| C22 | O24 | sing | 1.43Å | 1.43Å | |
| C23 | H141 | sing | 1.09Å | 1.10Å | |
| O26 | H15 | sing | 0.97Å | 0.95Å | |
| O24 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 109.6° | 109.5° |
| O1P | P | O5' | 110.3° | 109.5° |
| O1P | P | O8 | 109.7° | 109.5° |
| O2P | P | O5' | 108.3° | 109.5° |
| P | O2P | H13 | 109.5° | 114.0° |
| O2P | P | O8 | 108.9° | 109.5° |
| P | O5' | C5' | 128.1° | 123.0° |
| O5' | P | O8 | 110.0° | 109.5° |
| C2 | N1 | C6 | 122.3° | 120.2° |
| C2 | N1 | C22 | 127.0° | 131.2° |
| N1 | C2 | N3 | 119.0° | 122.9° |
| N1 | C2 | H2 | 120.5° | 118.5° |
| C6 | N1 | C22 | 110.7° | 108.6° |
| N1 | C6 | C5 | 120.1° | 116.7° |
| N1 | C6 | N6 | 112.4° | 113.3° |
| N1 | C22 | C23 | 100.8° | 103.6° |
| N1 | C22 | H1 | 115.2° | 110.6° |
| N1 | C22 | O24 | 110.9° | 110.6° |
| N3 | C2 | H2 | 120.5° | 118.6° |
| C2 | N3 | C4 | 119.4° | 122.1° |
| N3 | C4 | C5 | 121.1° | 119.8° |
| N3 | C4 | N9 | 131.1° | 134.2° |
| C5 | C4 | N9 | 107.8° | 106.0° |
| C4 | C5 | C6 | 118.0° | 118.2° |
| C4 | C5 | N7 | 109.3° | 107.6° |
| C4 | N9 | C8 | 105.6° | 107.5° |
| C4 | N9 | C1' | 125.7° | 126.2° |
| C6 | C5 | N7 | 132.8° | 134.2° |
| C5 | C6 | N6 | 127.5° | 130.0° |
| C5 | N7 | C8 | 105.1° | 109.2° |
| C6 | N6 | C23 | 111.4° | 110.4° |
| N6 | C23 | C22 | 104.3° | 104.1° |
| N6 | C23 | O26 | 109.0° | 110.5° |
| N6 | C23 | H141 | 113.9° | 110.5° |
| N7 | C8 | N9 | 112.1° | 109.7° |
| N7 | C8 | H8 | 124.0° | 125.2° |
| N9 | C8 | H8 | 123.9° | 125.1° |
| C8 | N9 | C1' | 128.7° | 126.3° |
| N9 | C1' | C2' | 113.0° | 109.9° |
| N9 | C1' | O4' | 113.2° | 109.9° |
| N9 | C1' | H1' | 103.6° | 109.9° |
| C2' | C1' | O4' | 107.4° | 107.3° |
| C2' | C1' | H1' | 109.9° | 109.9° |
| C1' | C2' | C3' | 104.0° | 104.2° |
| C1' | C2' | H2' | 111.3° | 110.5° |
| C1' | C2' | H2'A | 111.3° | 110.5° |
| O4' | C1' | H1' | 109.7° | 110.0° |
| C1' | O4' | C4' | 108.7° | 107.0° |
| C3' | C2' | H2' | 111.3° | 110.4° |
| C3' | C2' | H2'A | 111.3° | 110.5° |
| C2' | C3' | O3' | 110.0° | 110.9° |
| C2' | C3' | C4' | 102.5° | 102.1° |
| C2' | C3' | H3' | 114.3° | 110.9° |
| H2' | C2' | H2'A | 107.5° | 110.6° |
| C23 | C22 | H1 | 113.6° | 110.6° |
| C22 | C23 | O26 | 111.7° | 110.4° |
| C23 | C22 | O24 | 112.5° | 110.6° |
| C22 | C23 | H141 | 111.4° | 110.6° |
| H1 | C22 | O24 | 104.1° | 110.7° |
| O26 | C23 | H141 | 106.8° | 110.6° |
| C23 | O26 | H15 | 109.5° | 114.0° |
| O3' | C3' | C4' | 111.4° | 110.9° |
| O3' | C3' | H3' | 105.9° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 113.0° | 111.0° |
| C3' | C4' | O4' | 104.8° | 103.4° |
| C3' | C4' | C5' | 114.5° | 110.6° |
| C3' | C4' | H4' | 109.8° | 110.6° |
| O4' | C4' | C5' | 111.0° | 110.6° |
| O4' | C4' | H4' | 113.4° | 110.6° |
| C5' | C4' | H4' | 103.5° | 110.7° |
| C4' | C5' | O5' | 108.9° | 109.5° |
| C4' | C5' | H5' | 109.6° | 109.5° |
| C4' | C5' | H5'A | 109.6° | 109.5° |
| O5' | C5' | H5' | 109.7° | 109.5° |
| O5' | C5' | H5'A | 109.7° | 109.5° |
| H5' | C5' | H5'A | 109.3° | 109.4° |
| P | O8 | H14 | 109.5° | 114.0° |
| C22 | O24 | H16 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O5' | 120.4° | 120.0° |
| O1P | P | O2P | O8 | 120.0° | 120.0° |
| O1P | P | O5' | O8 | 121.1° | 120.0° |
| O1P | P | O2P | H13 | 0.0° | 60.0° |
| O1P | P | O5' | C5' | 66.7° | 55.0° |
| O1P | P | O8 | H14 | 0.0° | 180.0° |
| O2P | P | O5' | O8 | 118.9° | 120.0° |
| O2P | P | O5' | C5' | 173.3° | 175.0° |
| O2P | P | O8 | H14 | 120.0° | 60.0° |
| O5' | P | O2P | H13 | 120.4° | 180.0° |
| P | O5' | C5' | C4' | 179.2° | 180.0° |
| P | O5' | C5' | H5' | 60.8° | 60.0° |
| P | O5' | C5' | H5'A | 59.2° | 59.9° |
| O5' | P | O8 | H14 | 121.5° | 60.0° |
| C2 | N1 | C6 | C22 | 178.3° | 179.8° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.8° | 0.0° |
| C2 | N1 | C6 | C5 | 4.1° | 0.1° |
| C2 | N1 | C6 | N6 | 173.7° | 180.0° |
| C2 | N1 | C22 | C23 | 172.2° | 180.0° |
| C2 | N1 | C22 | H1 | 49.4° | 61.5° |
| C2 | N1 | C22 | O24 | 68.5° | 61.5° |
| C6 | N1 | C2 | N3 | 1.2° | 0.1° |
| C6 | N1 | C2 | H2 | 178.8° | 180.0° |
| N1 | C6 | C5 | C4 | 4.8° | 0.1° |
| N1 | C6 | C5 | N6 | 177.4° | 179.9° |
| N1 | C6 | C5 | N7 | 177.0° | 180.0° |
| N1 | C6 | N6 | C23 | 0.5° | 0.1° |
| C6 | N1 | C22 | C23 | 6.0° | 0.3° |
| C6 | N1 | C22 | H1 | 128.8° | 118.3° |
| C6 | N1 | C22 | O24 | 113.3° | 118.8° |
| C22 | N1 | C2 | N3 | 179.2° | 179.8° |
| C22 | N1 | C2 | H2 | 0.8° | 0.3° |
| C22 | N1 | C6 | C5 | 177.6° | 179.8° |
| C22 | N1 | C6 | N6 | 4.6° | 0.2° |
| N1 | C22 | C23 | N6 | 5.4° | 0.2° |
| N1 | C22 | C23 | H1 | 123.8° | 118.5° |
| N1 | C22 | C23 | O24 | 118.2° | 118.5° |
| N1 | C22 | H1 | O24 | 121.6° | 122.9° |
| N1 | C22 | C23 | O26 | 112.1° | 118.8° |
| N1 | C22 | C23 | H141 | 128.6° | 118.5° |
| N1 | C22 | O24 | H16 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | N9 | 179.1° | 180.0° |
| H2 | C2 | N3 | C4 | 179.1° | 180.0° |
| N3 | C4 | C5 | N9 | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 2.9° | 0.1° |
| N3 | C4 | C5 | N7 | 178.5° | 180.0° |
| N3 | C4 | N9 | C8 | 177.9° | 180.0° |
| N3 | C4 | N9 | C1' | 2.6° | 0.0° |
| C4 | C5 | C6 | N7 | 178.2° | 180.0° |
| C4 | C5 | C6 | N6 | 172.6° | 180.0° |
| C4 | C5 | N7 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | C8 | 2.8° | 0.0° |
| C5 | C4 | N9 | C1' | 176.7° | 179.9° |
| N9 | C4 | C5 | C6 | 176.5° | 180.0° |
| N9 | C4 | C5 | N7 | 2.1° | 0.0° |
| C4 | N9 | C8 | N7 | 2.6° | 0.0° |
| C4 | N9 | C8 | C1' | 179.5° | 180.0° |
| C4 | N9 | C8 | H8 | 177.4° | 180.0° |
| C4 | N9 | C1' | C2' | 53.7° | 85.0° |
| C4 | N9 | C1' | O4' | 176.1° | 157.2° |
| C4 | N9 | C1' | H1' | 65.1° | 36.0° |
| C5 | C6 | N6 | C23 | 178.1° | 180.0° |
| C6 | C5 | N7 | C8 | 177.8° | 179.9° |
| N7 | C5 | C6 | N6 | 5.6° | 0.1° |
| C5 | N7 | C8 | N9 | 1.3° | 0.0° |
| C5 | N7 | C8 | H8 | 178.7° | 180.0° |
| C6 | N6 | C23 | C22 | 3.3° | 0.1° |
| C6 | N6 | C23 | O26 | 116.1° | 118.6° |
| C6 | N6 | C23 | H141 | 124.8° | 118.7° |
| N6 | C23 | C22 | O26 | 117.6° | 118.6° |
| N6 | C23 | C22 | H141 | 123.2° | 118.7° |
| N6 | C23 | C22 | H1 | 129.3° | 118.3° |
| N6 | C23 | O26 | H141 | 123.4° | 122.6° |
| N6 | C23 | C22 | O24 | 112.7° | 118.7° |
| N6 | C23 | O26 | H15 | 180.0° | 61.5° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 176.9° | 179.9° |
| C8 | N9 | C1' | C2' | 125.6° | 95.0° |
| C8 | N9 | C1' | O4' | 3.3° | 22.8° |
| C8 | N9 | C1' | H1' | 115.5° | 143.9° |
| H8 | C8 | N9 | C1' | 3.1° | 0.1° |
| N9 | C1' | C2' | O4' | 125.5° | 119.4° |
| N9 | C1' | C2' | H1' | 115.2° | 121.1° |
| N9 | C1' | O4' | H1' | 115.2° | 121.1° |
| N9 | C1' | C2' | C3' | 132.8° | 121.4° |
| N9 | C1' | C2' | H2' | 107.2° | 119.9° |
| N9 | C1' | C2' | H2'A | 12.8° | 2.8° |
| N9 | C1' | O4' | C4' | 109.7° | 145.9° |
| C2' | C1' | O4' | H1' | 119.4° | 119.5° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.6° |
| C1' | C2' | H2' | H2'A | 122.2° | 122.6° |
| C1' | C2' | C3' | O3' | 93.2° | 139.1° |
| C1' | C2' | C3' | C4' | 25.3° | 20.9° |
| C1' | C2' | C3' | H3' | 147.9° | 97.4° |
| C2' | C1' | O4' | C4' | 15.7° | 26.6° |
| O4' | C1' | C2' | C3' | 7.3° | 2.0° |
| O4' | C1' | C2' | H2' | 127.3° | 120.7° |
| O4' | C1' | C2' | H2'A | 112.7° | 116.6° |
| C1' | O4' | C4' | C3' | 32.3° | 40.1° |
| C1' | O4' | C4' | C5' | 91.8° | 158.6° |
| C1' | O4' | C4' | H4' | 152.1° | 78.4° |
| H1' | C1' | C2' | C3' | 112.0° | 117.5° |
| H1' | C1' | C2' | H2' | 8.0° | 1.1° |
| H1' | C1' | C2' | H2'A | 128.0° | 123.9° |
| H1' | C1' | O4' | C4' | 135.1° | 92.9° |
| C3' | C2' | H2' | H2'A | 122.2° | 122.6° |
| C2' | C3' | O3' | C4' | 112.9° | 112.7° |
| C2' | C3' | O3' | H3' | 123.9° | 123.6° |
| C2' | C3' | C4' | H3' | 123.4° | 118.2° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | O4' | 35.5° | 37.0° |
| C2' | C3' | C4' | C5' | 86.4° | 155.5° |
| C2' | C3' | C4' | H4' | 157.7° | 81.5° |
| H2' | C2' | C3' | O3' | 26.8° | 20.4° |
| H2' | C2' | C3' | C4' | 145.3° | 97.8° |
| H2' | C2' | C3' | H3' | 92.1° | 143.9° |
| H2'A | C2' | C3' | O3' | 146.8° | 102.3° |
| H2'A | C2' | C3' | C4' | 94.7° | 139.5° |
| H2'A | C2' | C3' | H3' | 27.9° | 21.3° |
| C23 | C22 | H1 | O24 | 122.7° | 122.9° |
| C22 | C23 | O26 | H141 | 121.9° | 122.7° |
| C22 | C23 | O26 | H15 | 65.3° | 176.1° |
| C23 | C22 | O24 | H16 | 67.9° | 65.9° |
| H1 | C22 | C23 | O26 | 11.7° | 0.4° |
| H1 | C22 | C23 | H141 | 107.5° | 123.1° |
| H1 | C22 | O24 | H16 | 55.6° | 57.1° |
| O26 | C23 | C22 | O24 | 129.7° | 122.6° |
| H13 | O2P | P | O8 | 120.0° | 60.0° |
| O3' | C3' | C4' | H3' | 119.0° | 123.6° |
| O3' | C3' | C4' | O4' | 82.1° | 155.2° |
| O3' | C3' | C4' | C5' | 156.1° | 86.3° |
| O3' | C3' | C4' | H4' | 40.1° | 36.7° |
| C4' | C3' | O3' | HO3' | 67.1° | 174.2° |
| C3' | C4' | O4' | C5' | 124.1° | 118.5° |
| C3' | C4' | O4' | H4' | 119.8° | 118.5° |
| C3' | C4' | C5' | H4' | 119.5° | 123.0° |
| C3' | C4' | C5' | O5' | 172.8° | 175.0° |
| C3' | C4' | C5' | H5' | 67.2° | 55.0° |
| C3' | C4' | C5' | H5'A | 52.8° | 65.0° |
| H3' | C3' | O3' | HO3' | 56.1° | 62.1° |
| H3' | C3' | C4' | O4' | 158.9° | 81.2° |
| H3' | C3' | C4' | C5' | 37.1° | 37.3° |
| H3' | C3' | C4' | H4' | 78.9° | 160.3° |
| O4' | C4' | C5' | H4' | 122.0° | 123.0° |
| O4' | C4' | C5' | O5' | 54.3° | 71.0° |
| O4' | C4' | C5' | H5' | 174.4° | 169.0° |
| O4' | C4' | C5' | H5'A | 65.7° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.2° | 120.0° |
| H4' | C4' | C5' | O5' | 67.7° | 52.0° |
| H4' | C4' | C5' | H5' | 52.3° | 68.0° |
| H4' | C4' | C5' | H5'A | 172.3° | 172.1° |
| O5' | C5' | H5' | H5'A | 120.3° | 120.0° |
| C5' | O5' | P | O8 | 54.4° | 65.0° |
| O24 | C22 | C23 | H141 | 10.5° | 0.1° |
| H141 | C23 | O26 | H15 | 56.6° | 61.2° |
