MTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CS | S5' | sing | 1.81Å | 1.82Å | |
| CS | HCS1 | sing | 1.09Å | 1.12Å | |
| CS | HCS2 | sing | 1.09Å | 1.11Å | |
| CS | HCS3 | sing | 1.09Å | 1.11Å | |
| S5' | C5' | sing | 1.81Å | 1.82Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C2' | O2' | sing | 1.43Å | 1.47Å | |
| C2' | C3' | sing | 1.55Å | 1.59Å | |
| C2' | C1' | sing | 1.55Å | 1.57Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.48Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | H3T | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.60Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N6 | H61 | sing | 0.97Å | 1.02Å | |
| N6 | H62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S5' | CS | HCS1 | 100.5° | 109.4° |
| S5' | CS | HCS2 | 115.6° | 109.5° |
| S5' | CS | HCS3 | 115.6° | 109.5° |
| CS | S5' | C5' | 100.5° | 100.0° |
| HCS1 | CS | HCS2 | 115.6° | 109.5° |
| HCS1 | CS | HCS3 | 115.7° | 109.5° |
| HCS2 | CS | HCS3 | 94.8° | 109.5° |
| S5' | C5' | C4' | 112.6° | 109.5° |
| S5' | C5' | H5'1 | 111.0° | 109.4° |
| S5' | C5' | H5'2 | 111.0° | 109.5° |
| C4' | C5' | H5'1 | 111.1° | 109.4° |
| C4' | C5' | H5'2 | 111.1° | 109.5° |
| C5' | C4' | O4' | 107.0° | 110.0° |
| C5' | C4' | C3' | 114.5° | 109.9° |
| C5' | C4' | H4' | 107.2° | 109.8° |
| H5'1 | C5' | H5'2 | 99.3° | 109.5° |
| O4' | C4' | C3' | 107.6° | 107.4° |
| O4' | C4' | H4' | 114.2° | 109.8° |
| C4' | O4' | C1' | 110.9° | 107.1° |
| C3' | C4' | H4' | 106.6° | 109.9° |
| C4' | C3' | C2' | 100.7° | 104.1° |
| C4' | C3' | O3' | 112.1° | 110.8° |
| C4' | C3' | H3' | 114.4° | 110.5° |
| O4' | C1' | C2' | 103.0° | 103.5° |
| O4' | C1' | N9 | 108.6° | 110.7° |
| O4' | C1' | H1' | 116.8° | 110.6° |
| O2' | C2' | C3' | 109.5° | 110.8° |
| O2' | C2' | C1' | 110.4° | 111.0° |
| O2' | C2' | H2' | 108.4° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 106.9° |
| C3' | C2' | C1' | 108.2° | 102.1° |
| C3' | C2' | H2' | 110.6° | 110.9° |
| C2' | C3' | O3' | 112.2° | 110.5° |
| C2' | C3' | H3' | 114.4° | 110.5° |
| C1' | C2' | H2' | 109.7° | 110.9° |
| C2' | C1' | N9 | 116.5° | 110.8° |
| C2' | C1' | H1' | 109.1° | 110.6° |
| O3' | C3' | H3' | 103.5° | 110.4° |
| C3' | O3' | H3T | 112.1° | 106.8° |
| N9 | C1' | H1' | 103.4° | 110.5° |
| C1' | N9 | C8 | 125.2° | 126.3° |
| C1' | N9 | C4 | 130.4° | 126.3° |
| C8 | N9 | C4 | 104.3° | 107.4° |
| N9 | C8 | N7 | 114.4° | 110.0° |
| N9 | C8 | H8 | 125.0° | 125.0° |
| N9 | C4 | C5 | 106.9° | 106.1° |
| N9 | C4 | N3 | 125.3° | 134.9° |
| N7 | C8 | H8 | 120.6° | 125.0° |
| C8 | N7 | C5 | 103.8° | 109.4° |
| N7 | C5 | C6 | 133.0° | 134.7° |
| N7 | C5 | C4 | 110.6° | 107.1° |
| C6 | C5 | C4 | 116.4° | 118.2° |
| C5 | C6 | N6 | 122.6° | 120.8° |
| C5 | C6 | N1 | 116.6° | 118.5° |
| C5 | C4 | N3 | 127.8° | 119.0° |
| N6 | C6 | N1 | 120.7° | 120.7° |
| C6 | N6 | H61 | 122.7° | 120.1° |
| C6 | N6 | H62 | 107.6° | 120.0° |
| C6 | N1 | C2 | 120.3° | 121.2° |
| H61 | N6 | H62 | 107.5° | 120.0° |
| N1 | C2 | N3 | 128.3° | 122.4° |
| N1 | C2 | H2 | 115.9° | 118.8° |
| N3 | C2 | H2 | 115.9° | 118.8° |
| C2 | N3 | C4 | 110.6° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S5' | CS | HCS1 | HCS2 | 125.2° | 120.0° |
| S5' | CS | HCS1 | HCS3 | 125.3° | 120.0° |
| S5' | CS | HCS2 | HCS3 | 121.5° | 120.0° |
| CS | S5' | C5' | C4' | 39.2° | 180.0° |
| CS | S5' | C5' | H5'1 | 164.4° | 60.0° |
| CS | S5' | C5' | H5'2 | 86.1° | 60.0° |
| HCS1 | CS | HCS2 | HCS3 | 121.5° | 120.0° |
| HCS1 | CS | S5' | C5' | 180.0° | 60.0° |
| HCS2 | CS | S5' | C5' | 54.8° | 180.0° |
| HCS3 | CS | S5' | C5' | 54.8° | 60.0° |
| S5' | C5' | C4' | H5'1 | 125.3° | 119.9° |
| S5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| S5' | C5' | H5'1 | H5'2 | 116.9° | 120.0° |
| S5' | C5' | C4' | O4' | 73.5° | 61.6° |
| S5' | C5' | C4' | C3' | 167.4° | 179.7° |
| S5' | C5' | C4' | H4' | 49.3° | 59.3° |
| C4' | C5' | H5'1 | H5'2 | 117.0° | 120.0° |
| C5' | C4' | O4' | C3' | 123.5° | 119.6° |
| C5' | C4' | O4' | H4' | 118.4° | 121.0° |
| C5' | C4' | C3' | H4' | 118.4° | 121.0° |
| C5' | C4' | O4' | C1' | 90.3° | 145.9° |
| C5' | C4' | C3' | C2' | 90.5° | 121.5° |
| C5' | C4' | C3' | O3' | 150.1° | 119.8° |
| C5' | C4' | C3' | H3' | 32.6° | 2.9° |
| H5'1 | C5' | C4' | O4' | 51.7° | 58.3° |
| H5'1 | C5' | C4' | C3' | 67.4° | 59.7° |
| H5'1 | C5' | C4' | H4' | 174.6° | 179.3° |
| H5'2 | C5' | C4' | O4' | 161.2° | 178.3° |
| H5'2 | C5' | C4' | C3' | 42.1° | 60.3° |
| H5'2 | C5' | C4' | H4' | 75.9° | 60.7° |
| O4' | C4' | C3' | H4' | 122.9° | 119.4° |
| O4' | C4' | C3' | C2' | 28.2° | 1.8° |
| C4' | O4' | C1' | C2' | 21.3° | 40.0° |
| O4' | C4' | C3' | O3' | 91.2° | 120.6° |
| O4' | C4' | C3' | H3' | 151.4° | 116.7° |
| C4' | O4' | C1' | N9 | 102.8° | 158.7° |
| C4' | O4' | C1' | H1' | 140.8° | 78.5° |
| C3' | C4' | O4' | C1' | 33.2° | 26.3° |
| C4' | C3' | C2' | O2' | 135.8° | 139.2° |
| C4' | C3' | C2' | O3' | 119.4° | 119.0° |
| C4' | C3' | C2' | H3' | 123.2° | 118.6° |
| C4' | C3' | C2' | C1' | 15.4° | 21.0° |
| C4' | C3' | C2' | H2' | 104.8° | 97.2° |
| C4' | C3' | O3' | H3' | 123.8° | 122.7° |
| C4' | C3' | O3' | H3T | 180.0° | 176.2° |
| H4' | C4' | O4' | C1' | 151.3° | 93.1° |
| H4' | C4' | C3' | C2' | 151.1° | 117.6° |
| H4' | C4' | C3' | O3' | 31.7° | 1.2° |
| H4' | C4' | C3' | H3' | 85.7° | 123.9° |
| O4' | C1' | C2' | O2' | 117.3° | 155.2° |
| O4' | C1' | C2' | C3' | 2.5° | 37.0° |
| O4' | C1' | C2' | N9 | 118.8° | 118.7° |
| O4' | C1' | C2' | H1' | 124.7° | 118.4° |
| O4' | C1' | C2' | H2' | 123.2° | 81.2° |
| O4' | C1' | N9 | H1' | 124.7° | 122.8° |
| O4' | C1' | N9 | C8 | 53.9° | 28.6° |
| O4' | C1' | N9 | C4 | 125.8° | 151.7° |
| O2' | C2' | C3' | C1' | 120.4° | 118.3° |
| O2' | C2' | C3' | H2' | 119.4° | 123.6° |
| O2' | C2' | C1' | H2' | 119.4° | 123.6° |
| O2' | C2' | C3' | O3' | 16.4° | 20.2° |
| O2' | C2' | C3' | H3' | 101.0° | 102.2° |
| O2' | C2' | C1' | N9 | 123.9° | 86.2° |
| O2' | C2' | C1' | H1' | 7.4° | 36.8° |
| C3' | C2' | C1' | H2' | 120.7° | 118.2° |
| C3' | C2' | O2' | HO2' | 180.0° | 67.3° |
| C2' | C3' | O3' | H3' | 123.8° | 122.5° |
| C2' | C3' | O3' | H3T | 67.6° | 61.4° |
| C3' | C2' | C1' | N9 | 116.3° | 155.7° |
| C3' | C2' | C1' | H1' | 127.2° | 81.4° |
| C1' | C2' | O2' | HO2' | 60.9° | 180.0° |
| C1' | C2' | C3' | O3' | 104.0° | 98.0° |
| C1' | C2' | C3' | H3' | 138.6° | 139.6° |
| C2' | C1' | N9 | H1' | 119.6° | 122.9° |
| C2' | C1' | N9 | C8 | 169.5° | 85.6° |
| C2' | C1' | N9 | C4 | 10.1° | 94.1° |
| H2' | C2' | O2' | HO2' | 59.3° | 56.3° |
| H2' | C2' | C3' | O3' | 135.9° | 143.8° |
| H2' | C2' | C3' | H3' | 18.4° | 21.4° |
| H2' | C2' | C1' | N9 | 4.5° | 37.5° |
| H2' | C2' | C1' | H1' | 112.0° | 160.4° |
| H3' | C3' | O3' | H3T | 56.2° | 61.1° |
| C1' | N9 | C8 | C4 | 179.7° | 179.7° |
| C1' | N9 | C8 | N7 | 179.6° | 179.9° |
| C1' | N9 | C8 | H8 | 0.4° | 0.0° |
| C1' | N9 | C4 | C5 | 179.5° | 179.9° |
| C1' | N9 | C4 | N3 | 0.3° | 0.7° |
| H1' | C1' | N9 | C8 | 70.8° | 151.4° |
| H1' | C1' | N9 | C4 | 109.5° | 28.9° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.2° | 0.4° |
| C8 | N9 | C4 | N3 | 180.0° | 179.5° |
| C4 | N9 | C8 | N7 | 0.1° | 0.2° |
| C4 | N9 | C8 | H8 | 179.9° | 179.7° |
| N9 | C4 | C5 | N7 | 0.3° | 0.4° |
| N9 | C4 | C5 | C6 | 179.6° | 179.8° |
| N9 | C4 | C5 | N3 | 179.8° | 179.3° |
| N9 | C4 | N3 | C2 | 179.8° | 179.6° |
| C8 | N7 | C5 | C6 | 179.7° | 180.0° |
| C8 | N7 | C5 | C4 | 0.2° | 0.3° |
| H8 | C8 | N7 | C5 | 179.9° | 180.0° |
| N7 | C5 | C6 | C4 | 179.9° | 179.7° |
| N7 | C5 | C6 | N6 | 0.1° | 0.0° |
| N7 | C5 | C6 | N1 | 180.0° | 179.9° |
| N7 | C5 | C4 | N3 | 179.9° | 179.7° |
| C5 | C6 | N6 | N1 | 179.9° | 179.9° |
| C5 | C6 | N6 | H61 | 180.0° | 180.0° |
| C5 | C6 | N6 | H62 | 54.7° | 0.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.1° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| C4 | C5 | C6 | N1 | 0.1° | 0.2° |
| C5 | C4 | N3 | C2 | 0.0° | 0.5° |
| C6 | N6 | H61 | H62 | 125.3° | 180.0° |
| N6 | C6 | N1 | C2 | 179.9° | 180.0° |
| N1 | C6 | N6 | H61 | 0.1° | 0.1° |
| N1 | C6 | N6 | H62 | 125.2° | 179.9° |
| C6 | N1 | C2 | N3 | 0.2° | 0.1° |
| C6 | N1 | C2 | H2 | 179.8° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.2° |
| H2 | C2 | N3 | C4 | 179.8° | 179.8° |
