JMQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C9 | sing | 1.51Å | 1.54Å | |
| C1 | N4' | sing | 1.47Å | 1.50Å | |
| C2 | N1 | sing | 1.36Å | 1.39Å | |
| C2 | N3 | doub | 1.30Å | 1.31Å | |
| C8 | C9 | doub | 1.35Å | 1.35Å | Aromatic |
| C8 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| C9 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| O6 | C6 | doub | 1.22Å | 1.24Å | |
| C6 | N1 | sing | 1.35Å | 1.37Å | |
| C6 | C5 | sing | 1.41Å | 1.39Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.33Å | Aromatic |
| N4' | C1' | sing | 1.48Å | 1.49Å | |
| N4' | C4' | sing | 1.47Å | 1.50Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C1 | N4' | 115.0° | 109.5° |
| C1 | C9 | C8 | 126.5° | 126.1° |
| C1 | C9 | C4 | 127.4° | 126.1° |
| C9 | C1 | H1 | 107.6° | 109.5° |
| C9 | C1 | H1A | 107.7° | 109.5° |
| C1 | N4' | C1' | 116.1° | 111.0° |
| C1 | N4' | C4' | 118.0° | 111.0° |
| N4' | C1 | H1 | 107.7° | 109.5° |
| N4' | C1 | H1A | 107.7° | 109.5° |
| N1 | C2 | N3 | 121.1° | 122.1° |
| C2 | N1 | C6 | 120.3° | 120.5° |
| C2 | N1 | H11 | 119.9° | 119.7° |
| N1 | C2 | H2 | 119.5° | 118.9° |
| C2 | N3 | C4 | 120.4° | 121.0° |
| N3 | C2 | H2 | 119.4° | 119.0° |
| C9 | C8 | N7 | 110.1° | 109.5° |
| C8 | C9 | C4 | 106.1° | 107.8° |
| C9 | C8 | H8 | 125.0° | 125.3° |
| C8 | N7 | C5 | 109.4° | 108.8° |
| N7 | C8 | H8 | 125.0° | 125.2° |
| C8 | N7 | HN7 | 125.3° | 125.6° |
| C9 | C4 | N3 | 131.9° | 134.0° |
| C9 | C4 | C5 | 107.5° | 106.6° |
| O6 | C6 | N1 | 119.3° | 120.8° |
| O6 | C6 | C5 | 123.0° | 120.8° |
| N1 | C6 | C5 | 117.6° | 118.4° |
| C6 | N1 | H11 | 119.8° | 119.7° |
| C6 | C5 | C4 | 119.8° | 118.5° |
| C6 | C5 | N7 | 133.2° | 134.2° |
| N3 | C4 | C5 | 120.7° | 119.4° |
| C4 | C5 | N7 | 107.0° | 107.3° |
| C5 | N7 | HN7 | 125.3° | 125.6° |
| C1' | N4' | C4' | 104.9° | 108.6° |
| N4' | C1' | C2' | 103.4° | 104.8° |
| N4' | C1' | H1' | 111.5° | 110.4° |
| N4' | C1' | H1'A | 111.5° | 110.4° |
| N4' | C4' | C3' | 103.5° | 107.2° |
| N4' | C4' | C5' | 114.5° | 109.9° |
| N4' | C4' | H4' | 110.5° | 109.9° |
| C1' | C2' | O2' | 109.3° | 111.0° |
| C1' | C2' | C3' | 105.6° | 101.6° |
| C2' | C1' | H1' | 111.6° | 110.4° |
| C2' | C1' | H1'A | 111.6° | 110.4° |
| C1' | C2' | H2' | 113.2° | 111.0° |
| O2' | C2' | C3' | 112.5° | 111.0° |
| O2' | C2' | H2' | 106.4° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 112.1° | 110.7° |
| C2' | C3' | C4' | 105.6° | 103.0° |
| C3' | C2' | H2' | 110.0° | 111.0° |
| C2' | C3' | H3' | 110.3° | 110.7° |
| O3' | C3' | C4' | 109.6° | 110.7° |
| O3' | C3' | H3' | 106.4° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | C5' | 110.3° | 109.9° |
| C4' | C3' | H3' | 112.9° | 110.9° |
| C3' | C4' | H4' | 114.7° | 109.9° |
| C4' | C5' | O5' | 112.8° | 109.4° |
| C5' | C4' | H4' | 103.7° | 110.0° |
| C4' | C5' | H5' | 108.4° | 109.5° |
| C4' | C5' | H5'A | 108.4° | 109.4° |
| O5' | C5' | H5' | 108.4° | 109.5° |
| O5' | C5' | H5'A | 108.4° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| H1 | C1 | H1A | 111.2° | 109.4° |
| H1' | C1' | H1'A | 107.3° | 110.4° |
| H5' | C5' | H5'A | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C1 | N4' | H1 | 120.0° | 120.0° |
| C9 | C1 | N4' | H1A | 120.0° | 120.1° |
| C1 | C9 | C8 | C4 | 178.3° | 180.0° |
| C1 | C9 | C8 | N7 | 179.2° | 180.0° |
| C1 | C9 | C4 | N3 | 0.7° | 0.0° |
| C1 | C9 | C4 | C5 | 179.1° | 180.0° |
| C9 | C1 | N4' | C1' | 24.5° | 67.4° |
| C9 | C1 | N4' | C4' | 101.4° | 171.8° |
| C9 | C1 | H1 | H1A | 117.7° | 120.0° |
| C1 | C9 | C8 | H8 | 0.8° | 0.0° |
| N4' | C1 | C9 | C8 | 105.0° | 100.0° |
| N4' | C1 | C9 | C4 | 77.0° | 80.1° |
| C1 | N4' | C1' | C4' | 132.3° | 122.3° |
| C1 | N4' | C1' | C2' | 173.9° | 146.4° |
| C1 | N4' | C4' | C3' | 168.8° | 123.3° |
| C1 | N4' | C4' | C5' | 48.7° | 3.9° |
| N4' | C1 | H1 | H1A | 117.7° | 120.0° |
| C1 | N4' | C1' | H1' | 66.1° | 94.8° |
| C1 | N4' | C1' | H1'A | 53.9° | 27.5° |
| C1 | N4' | C4' | H4' | 68.0° | 117.3° |
| N1 | C2 | N3 | H2 | 180.0° | 179.7° |
| C2 | N1 | C6 | O6 | 179.8° | 179.9° |
| C2 | N1 | C6 | H11 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.9° | 0.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N3 | C4 | C9 | 179.5° | 180.0° |
| N3 | C2 | N1 | C6 | 1.2° | 0.0° |
| C2 | N3 | C4 | C5 | 0.7° | 0.0° |
| N3 | C2 | N1 | H11 | 178.8° | 180.0° |
| C9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | C9 | C4 | N3 | 179.0° | 180.0° |
| C8 | C9 | C4 | C5 | 0.8° | 0.1° |
| C9 | C8 | N7 | C5 | 0.6° | 0.0° |
| C8 | C9 | C1 | H1 | 15.0° | 20.0° |
| C8 | C9 | C1 | H1A | 135.0° | 140.0° |
| C9 | C8 | N7 | HN7 | 179.4° | 180.0° |
| N7 | C8 | C9 | C4 | 0.8° | 0.1° |
| C8 | N7 | C5 | C6 | 179.7° | 179.9° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| C8 | N7 | C5 | HN7 | 180.0° | 180.0° |
| C9 | C4 | C5 | C6 | 179.2° | 180.0° |
| C9 | C4 | N3 | C5 | 179.8° | 180.0° |
| C9 | C4 | C5 | N7 | 0.4° | 0.0° |
| C4 | C9 | C1 | H1 | 163.0° | 159.9° |
| C4 | C9 | C1 | H1A | 43.0° | 40.0° |
| C4 | C9 | C8 | H8 | 179.1° | 180.0° |
| O6 | C6 | N1 | C5 | 178.9° | 180.0° |
| O6 | C6 | C5 | C4 | 178.7° | 180.0° |
| O6 | C6 | C5 | N7 | 0.9° | 0.1° |
| O6 | C6 | N1 | H11 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| C6 | N1 | C2 | H2 | 178.7° | 179.7° |
| C6 | C5 | C4 | N3 | 1.0° | 0.0° |
| C6 | C5 | C4 | N7 | 179.7° | 180.0° |
| C5 | C6 | N1 | H11 | 179.0° | 180.0° |
| C6 | C5 | N7 | HN7 | 0.3° | 0.0° |
| N3 | C4 | C5 | N7 | 179.4° | 180.0° |
| C4 | N3 | C2 | H2 | 179.6° | 179.7° |
| C4 | C5 | N7 | HN7 | 179.9° | 180.0° |
| C5 | N7 | C8 | H8 | 179.4° | 180.0° |
| N4' | C1' | C2' | H1' | 120.0° | 118.8° |
| N4' | C1' | C2' | H1'A | 120.0° | 118.8° |
| N4' | C1' | C2' | O2' | 92.5° | 81.0° |
| N4' | C1' | C2' | C3' | 28.7° | 37.1° |
| C1' | N4' | C4' | C3' | 37.6° | 1.0° |
| C1' | N4' | C4' | C5' | 82.5° | 118.4° |
| C1' | N4' | C1 | H1 | 144.5° | 52.7° |
| C1' | N4' | C1 | H1A | 95.5° | 172.6° |
| N4' | C1' | H1' | H1'A | 122.4° | 122.3° |
| N4' | C1' | C2' | H2' | 149.1° | 155.2° |
| C1' | N4' | C4' | H4' | 160.8° | 120.4° |
| C4' | N4' | C1' | C2' | 41.7° | 24.1° |
| N4' | C4' | C3' | C2' | 18.9° | 22.3° |
| N4' | C4' | C3' | O3' | 102.1° | 140.7° |
| N4' | C4' | C3' | C5' | 122.9° | 119.4° |
| N4' | C4' | C3' | H4' | 120.5° | 119.4° |
| N4' | C4' | C5' | H4' | 120.5° | 121.1° |
| N4' | C4' | C5' | O5' | 77.9° | 65.8° |
| C4' | N4' | C1 | H1 | 18.6° | 68.2° |
| C4' | N4' | C1 | H1A | 138.6° | 51.7° |
| C4' | N4' | C1' | H1' | 161.7° | 142.9° |
| C4' | N4' | C1' | H1'A | 78.4° | 94.8° |
| N4' | C4' | C3' | H3' | 139.5° | 96.2° |
| N4' | C4' | C5' | H5' | 162.1° | 54.1° |
| N4' | C4' | C5' | H5'A | 42.1° | 174.1° |
| C1' | C2' | O2' | C3' | 117.0° | 112.3° |
| C1' | C2' | O2' | H2' | 122.5° | 123.9° |
| C1' | C2' | C3' | H2' | 122.5° | 118.1° |
| C1' | C2' | C3' | O3' | 125.2° | 154.0° |
| C1' | C2' | C3' | C4' | 5.9° | 35.6° |
| C2' | C1' | H1' | H1'A | 122.5° | 122.3° |
| C1' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C1' | C2' | C3' | H3' | 116.4° | 82.9° |
| O2' | C2' | C3' | H2' | 118.4° | 123.8° |
| O2' | C2' | C3' | O3' | 6.1° | 35.9° |
| O2' | C2' | C3' | C4' | 113.2° | 82.5° |
| O2' | C2' | C1' | H1' | 27.5° | 37.8° |
| O2' | C2' | C1' | H1'A | 147.5° | 160.2° |
| O2' | C2' | C3' | H3' | 124.5° | 159.0° |
| C2' | C3' | O3' | C4' | 116.9° | 113.6° |
| C2' | C3' | O3' | H3' | 120.7° | 123.1° |
| C2' | C3' | C4' | H3' | 120.6° | 118.4° |
| C2' | C3' | C4' | C5' | 104.0° | 141.7° |
| C3' | C2' | C1' | H1' | 148.7° | 155.9° |
| C3' | C2' | C1' | H1'A | 91.2° | 81.8° |
| C3' | C2' | O2' | HO2' | 63.0° | 173.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | H4' | 139.4° | 97.1° |
| O3' | C3' | C4' | H3' | 118.4° | 123.2° |
| O3' | C3' | C4' | C5' | 135.0° | 99.9° |
| O3' | C3' | C2' | H2' | 112.3° | 87.9° |
| O3' | C3' | C4' | H4' | 18.4° | 21.3° |
| C3' | C4' | C5' | H4' | 123.3° | 121.1° |
| C3' | C4' | C5' | O5' | 165.9° | 51.9° |
| C4' | C3' | C2' | H2' | 128.4° | 153.7° |
| C4' | C3' | O3' | HO3' | 63.0° | 175.1° |
| C3' | C4' | C5' | H5' | 45.9° | 171.9° |
| C3' | C4' | C5' | H5'A | 74.1° | 68.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 16.6° | 23.3° |
| C4' | C5' | H5' | H5'A | 118.6° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| O5' | C5' | C4' | H4' | 42.7° | 173.1° |
| O5' | C5' | H5' | H5'A | 118.6° | 120.1° |
| H11 | N1 | C2 | H2 | 1.3° | 0.3° |
| H8 | C8 | N7 | HN7 | 0.6° | 0.0° |
| H1' | C1' | C2' | H2' | 90.9° | 86.0° |
| H1'A | C1' | C2' | H2' | 29.1° | 36.3° |
| H2' | C2' | O2' | HO2' | 57.5° | 62.4° |
| H2' | C2' | C3' | H3' | 6.1° | 35.1° |
| H3' | C3' | O3' | HO3' | 59.3° | 61.6° |
| H3' | C3' | C4' | H4' | 100.0° | 144.5° |
| H4' | C4' | C5' | H5' | 77.3° | 67.0° |
| H4' | C4' | C5' | H5'A | 162.7° | 53.0° |
| H5' | C5' | O5' | HO5' | 60.0° | 60.0° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
