MTU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.49Å | |
| P | OP2 | sing | 1.62Å | 1.49Å | |
| P | O5' | sing | 1.62Å | 1.59Å | |
| P | O1 | sing | 1.62Å | 11.54Å | |
| OP2 | HO2P | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.50Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.34Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| N3 | C2 | sing | 1.35Å | 1.33Å | Aromatic |
| C2 | N2 | sing | 1.41Å | 1.29Å | |
| C2 | N1 | doub | 1.36Å | 1.34Å | Aromatic |
| N2 | HN21 | sing | 1.00Å | 1.00Å | |
| N2 | HN22 | sing | 1.00Å | 1.00Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | N7 | sing | 1.37Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.41Å | 1.42Å | |
| C3' | H3' | sing | 1.10Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.8° | 115.3° |
| OP1 | P | O5' | 108.1° | 115.0° |
| OP1 | P | O1 | 179.5° | 115.0° |
| OP2 | P | O5' | 107.6° | 103.7° |
| OP2 | P | O1 | 59.7° | 103.3° |
| P | OP2 | HO2P | 109.5° | 118.9° |
| O5' | P | O1 | 72.1° | 102.9° |
| P | O5' | C5' | 120.9° | 118.5° |
| P | O1 | HO1 | 179.5° | 119.0° |
| O5' | C5' | C4' | 109.3° | 108.7° |
| O5' | C5' | H5' | 109.6° | 109.1° |
| O5' | C5' | H5'' | 109.6° | 109.2° |
| C4' | C5' | H5' | 109.6° | 110.1° |
| C4' | C5' | H5'' | 109.5° | 110.1° |
| C5' | C4' | O4' | 110.3° | 109.8° |
| C5' | C4' | C3' | 112.4° | 113.5° |
| C5' | C4' | H4' | 105.7° | 108.7° |
| H5' | C5' | H5'' | 109.3° | 109.6° |
| O4' | C4' | C3' | 105.4° | 105.2° |
| O4' | C4' | H4' | 112.6° | 108.3° |
| C4' | O4' | C1' | 109.6° | 108.3° |
| C3' | C4' | H4' | 110.6° | 111.2° |
| C4' | C3' | C2' | 102.7° | 102.2° |
| C4' | C3' | O3' | 107.7° | 112.2° |
| C4' | C3' | H3' | 117.1° | 110.2° |
| O4' | C1' | N9 | 107.7° | 109.4° |
| O4' | C1' | C2' | 108.1° | 107.6° |
| O4' | C1' | H1' | 113.7° | 108.2° |
| N9 | C1' | C2' | 115.1° | 113.7° |
| N9 | C1' | H1' | 106.4° | 105.2° |
| C1' | N9 | C4 | 125.9° | 126.9° |
| C1' | N9 | C8 | 128.3° | 126.1° |
| C2' | C1' | H1' | 106.0° | 112.6° |
| C1' | C2' | O2' | 108.6° | 109.3° |
| C1' | C2' | C3' | 101.8° | 102.9° |
| C1' | C2' | H2' | 116.6° | 114.0° |
| C4 | N9 | C8 | 105.8° | 107.0° |
| N9 | C4 | N3 | 127.1° | 127.5° |
| N9 | C4 | C5 | 105.8° | 105.3° |
| N9 | C8 | N7 | 113.7° | 112.1° |
| N9 | C8 | H8 | 123.1° | 122.3° |
| N3 | C4 | C5 | 127.1° | 127.2° |
| C4 | N3 | C2 | 110.5° | 110.4° |
| C4 | C5 | C6 | 116.9° | 116.9° |
| C4 | C5 | N7 | 110.8° | 110.7° |
| N3 | C2 | N2 | 116.2° | 115.6° |
| N3 | C2 | N1 | 129.1° | 128.9° |
| N2 | C2 | N1 | 114.6° | 115.5° |
| C2 | N2 | HN21 | 124.7° | 119.0° |
| C2 | N2 | HN22 | 110.6° | 119.0° |
| C2 | N1 | C6 | 118.8° | 117.5° |
| HN21 | N2 | HN22 | 124.7° | 121.7° |
| N1 | C6 | C5 | 117.6° | 119.1° |
| N1 | C6 | H6 | 121.2° | 117.0° |
| C5 | C6 | H6 | 121.2° | 124.0° |
| C6 | C5 | N7 | 132.3° | 132.4° |
| C5 | N7 | C8 | 103.9° | 104.9° |
| N7 | C8 | H8 | 123.2° | 125.6° |
| O2' | C2' | C3' | 114.3° | 111.2° |
| O2' | C2' | H2' | 104.7° | 106.9° |
| C2' | O2' | HO2' | 109.5° | 107.3° |
| C3' | C2' | H2' | 111.2° | 112.6° |
| C2' | C3' | O3' | 115.5° | 113.5° |
| C2' | C3' | H3' | 109.5° | 109.5° |
| O3' | C3' | H3' | 104.7° | 109.0° |
| C3' | O3' | HO3' | 109.5° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 123.8° | 126.6° |
| OP1 | P | OP2 | O1 | 179.9° | 126.2° |
| OP1 | P | O5' | O1 | 179.5° | 125.8° |
| OP1 | P | OP2 | HO2P | 132.8° | 48.7° |
| OP1 | P | O5' | C5' | 55.2° | 180.0° |
| OP1 | P | O1 | HO1 | 177.7° | 48.0° |
| OP2 | P | O5' | O1 | 48.8° | 107.4° |
| OP2 | P | O5' | C5' | 174.2° | 53.2° |
| OP2 | P | O1 | HO1 | 163.8° | 78.5° |
| O5' | P | OP2 | HO2P | 8.9° | 175.4° |
| P | O5' | C5' | C4' | 177.9° | 180.0° |
| P | O5' | C5' | H5' | 57.8° | 59.9° |
| P | O5' | C5' | H5'' | 62.1° | 59.9° |
| O5' | P | O1 | HO1 | 72.4° | 173.8° |
| O1 | P | OP2 | HO2P | 47.1° | 77.5° |
| O1 | P | O5' | C5' | 125.3° | 54.2° |
| O5' | C5' | C4' | H5' | 120.1° | 119.5° |
| O5' | C5' | C4' | H5'' | 120.0° | 119.6° |
| O5' | C5' | H5' | H5'' | 120.1° | 119.5° |
| O5' | C5' | C4' | O4' | 78.4° | 62.1° |
| O5' | C5' | C4' | C3' | 38.9° | 179.5° |
| O5' | C5' | C4' | H4' | 159.6° | 56.2° |
| C4' | C5' | H5' | H5'' | 120.0° | 121.3° |
| C5' | C4' | O4' | C3' | 121.5° | 122.5° |
| C5' | C4' | O4' | H4' | 117.8° | 118.5° |
| C5' | C4' | C3' | H4' | 117.8° | 122.9° |
| C5' | C4' | O4' | C1' | 140.5° | 148.9° |
| C5' | C4' | C3' | C2' | 153.2° | 157.1° |
| C5' | C4' | C3' | O3' | 84.4° | 80.9° |
| C5' | C4' | C3' | H3' | 33.2° | 40.7° |
| H5' | C5' | C4' | O4' | 41.6° | 57.4° |
| H5' | C5' | C4' | C3' | 159.0° | 60.1° |
| H5' | C5' | C4' | H4' | 80.3° | 175.7° |
| H5'' | C5' | C4' | O4' | 161.5° | 178.3° |
| H5'' | C5' | C4' | C3' | 81.2° | 60.9° |
| H5'' | C5' | C4' | H4' | 39.5° | 63.4° |
| O4' | C4' | C3' | H4' | 122.0° | 117.0° |
| C4' | O4' | C1' | N9 | 121.9° | 129.0° |
| C4' | O4' | C1' | C2' | 3.1° | 5.0° |
| C4' | O4' | C1' | H1' | 120.5° | 116.9° |
| O4' | C4' | C3' | C2' | 33.0° | 37.0° |
| O4' | C4' | C3' | O3' | 155.4° | 159.0° |
| O4' | C4' | C3' | H3' | 87.0° | 79.3° |
| C3' | C4' | O4' | C1' | 19.0° | 26.4° |
| C4' | C3' | C2' | C1' | 33.5° | 32.8° |
| C4' | C3' | C2' | O2' | 83.3° | 84.1° |
| C4' | C3' | C2' | O3' | 116.9° | 121.0° |
| C4' | C3' | C2' | H3' | 125.2° | 116.9° |
| C4' | C3' | C2' | H2' | 158.4° | 156.0° |
| C4' | C3' | O3' | H3' | 125.4° | 122.4° |
| C4' | C3' | O3' | HO3' | 171.1° | 33.7° |
| H4' | C4' | O4' | C1' | 101.6° | 92.6° |
| H4' | C4' | C3' | C2' | 89.0° | 79.9° |
| H4' | C4' | C3' | O3' | 33.4° | 42.0° |
| H4' | C4' | C3' | H3' | 151.0° | 163.7° |
| O4' | C1' | N9 | C2' | 120.7° | 120.3° |
| O4' | C1' | N9 | H1' | 122.2° | 116.0° |
| O4' | C1' | C2' | H1' | 122.2° | 119.2° |
| O4' | C1' | N9 | C4 | 131.6° | 34.0° |
| O4' | C1' | N9 | C8 | 47.5° | 146.2° |
| O4' | C1' | C2' | O2' | 97.5° | 100.1° |
| O4' | C1' | C2' | C3' | 23.4° | 18.1° |
| O4' | C1' | C2' | H2' | 144.6° | 140.4° |
| N9 | C1' | C2' | H1' | 117.3° | 119.5° |
| C1' | N9 | C4 | C8 | 179.3° | 179.9° |
| C1' | N9 | C4 | N3 | 0.8° | 0.2° |
| C1' | N9 | C4 | C5 | 178.9° | 179.9° |
| C1' | N9 | C8 | N7 | 178.8° | 180.0° |
| C1' | N9 | C8 | H8 | 1.2° | 0.1° |
| N9 | C1' | C2' | O2' | 142.0° | 138.5° |
| N9 | C1' | C2' | C3' | 97.1° | 103.2° |
| N9 | C1' | C2' | H2' | 24.1° | 19.0° |
| C2' | C1' | N9 | C4 | 107.7° | 86.3° |
| C2' | C1' | N9 | C8 | 73.2° | 93.5° |
| C1' | C2' | O2' | C3' | 112.9° | 112.9° |
| C1' | C2' | O2' | H2' | 125.2° | 123.8° |
| C1' | C2' | C3' | H2' | 124.9° | 123.2° |
| C1' | C2' | O2' | HO2' | 94.1° | 54.7° |
| C1' | C2' | C3' | O3' | 150.4° | 153.8° |
| C1' | C2' | C3' | H3' | 91.7° | 84.1° |
| H1' | C1' | N9 | C4 | 9.4° | 150.0° |
| H1' | C1' | N9 | C8 | 169.7° | 30.1° |
| H1' | C1' | C2' | O2' | 24.7° | 19.1° |
| H1' | C1' | C2' | C3' | 145.6° | 137.3° |
| H1' | C1' | C2' | H2' | 93.2° | 100.5° |
| N9 | C4 | N3 | C5 | 179.7° | 179.8° |
| N9 | C4 | N3 | C2 | 179.7° | 179.9° |
| N9 | C4 | C5 | C6 | 179.9° | 179.9° |
| N9 | C4 | C5 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.1° |
| C4 | N9 | C8 | H8 | 179.6° | 180.0° |
| C8 | N9 | C4 | N3 | 179.9° | 179.9° |
| C8 | N9 | C4 | C5 | 0.3° | 0.1° |
| N9 | C8 | N7 | C5 | 0.3° | 0.1° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C4 | N3 | C2 | N2 | 178.6° | 180.0° |
| C4 | N3 | C2 | N1 | 0.1° | 0.1° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 179.9° |
| C5 | C4 | N3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C4 | C5 | C6 | N7 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| N3 | C2 | N2 | N1 | 178.9° | 179.9° |
| N3 | C2 | N2 | HN21 | 0.0° | 39.5° |
| N3 | C2 | N2 | HN22 | 180.0° | 146.7° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N2 | HN21 | HN22 | 180.0° | 173.6° |
| N2 | C2 | N1 | C6 | 178.6° | 179.9° |
| N1 | C2 | N2 | HN21 | 178.9° | 140.4° |
| N1 | C2 | N2 | HN22 | 1.1° | 33.3° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| C2 | N1 | C6 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| H6 | C6 | C5 | N7 | 0.1° | 0.1° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| O2' | C2' | C3' | H2' | 118.3° | 120.0° |
| O2' | C2' | C3' | O3' | 33.6° | 36.9° |
| O2' | C2' | C3' | H3' | 151.5° | 159.0° |
| C3' | C2' | O2' | HO2' | 18.7° | 167.5° |
| C2' | C3' | O3' | H3' | 120.5° | 122.4° |
| C2' | C3' | O3' | HO3' | 74.8° | 148.9° |
| H2' | C2' | O2' | HO2' | 140.6° | 69.2° |
| H2' | C2' | C3' | O3' | 84.7° | 83.1° |
| H2' | C2' | C3' | H3' | 33.2° | 39.0° |
| H3' | C3' | O3' | HO3' | 45.7° | 88.7° |
