MTH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CS | S5' | sing | 1.81Å | 1.84Å | |
| 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 | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4'1 | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.47Å | |
| C2' | O2' | sing | 1.43Å | 1.46Å | |
| C2' | C3' | sing | 1.55Å | 1.60Å | |
| C2' | C1' | sing | 1.55Å | 1.58Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| O2' | HO21 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.48Å | |
| C3' | H3'1 | sing | 1.09Å | 1.11Å | |
| O3' | HO31 | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.59Å | |
| C1' | H1'1 | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.34Å | 1.32Å | Aromatic |
| C8 | HC81 | sing | 1.08Å | 1.10Å | |
| C7 | C5 | sing | 1.46Å | 1.38Å | Aromatic |
| C7 | HC71 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.40Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | HC21 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S5' | CS | HCS1 | 116.0° | 109.5° |
| S5' | CS | HCS2 | 99.8° | 109.5° |
| S5' | CS | HCS3 | 115.9° | 109.5° |
| CS | S5' | C5' | 99.8° | 100.0° |
| HCS1 | CS | HCS2 | 116.0° | 109.4° |
| HCS1 | CS | HCS3 | 94.4° | 109.5° |
| HCS2 | CS | HCS3 | 115.9° | 109.5° |
| S5' | C5' | C4' | 113.1° | 109.4° |
| S5' | C5' | H5'1 | 110.8° | 109.4° |
| S5' | C5' | H5'2 | 110.8° | 109.5° |
| C4' | C5' | H5'1 | 110.9° | 109.5° |
| C4' | C5' | H5'2 | 110.9° | 109.5° |
| C5' | C4' | O4' | 110.0° | 109.9° |
| C5' | C4' | C3' | 115.1° | 109.9° |
| C5' | C4' | H4'1 | 103.8° | 109.9° |
| H5'1 | C5' | H5'2 | 99.5° | 109.5° |
| O4' | C4' | C3' | 104.8° | 107.4° |
| O4' | C4' | H4'1 | 114.3° | 109.9° |
| C4' | O4' | C1' | 111.9° | 107.0° |
| C3' | C4' | H4'1 | 109.1° | 109.9° |
| C4' | C3' | C2' | 100.2° | 104.0° |
| C4' | C3' | O3' | 107.7° | 110.7° |
| C4' | C3' | H3'1 | 117.0° | 110.4° |
| O4' | C1' | C2' | 101.5° | 103.5° |
| O4' | C1' | N9 | 106.6° | 110.6° |
| O4' | C1' | H1'1 | 119.5° | 110.6° |
| O2' | C2' | C3' | 113.2° | 110.8° |
| O2' | C2' | C1' | 111.8° | 110.9° |
| O2' | C2' | H2'1 | 104.7° | 110.7° |
| C2' | O2' | HO21 | 113.1° | 106.8° |
| C3' | C2' | C1' | 107.6° | 102.1° |
| C3' | C2' | H2'1 | 109.1° | 111.0° |
| C2' | C3' | O3' | 111.6° | 110.6° |
| C2' | C3' | H3'1 | 113.5° | 110.5° |
| C1' | C2' | H2'1 | 110.6° | 111.0° |
| C2' | C1' | N9 | 117.9° | 110.8° |
| C2' | C1' | H1'1 | 108.6° | 110.7° |
| O3' | C3' | H3'1 | 106.7° | 110.4° |
| C3' | O3' | HO31 | 107.7° | 106.8° |
| N9 | C1' | H1'1 | 103.6° | 110.5° |
| C1' | N9 | C8 | 124.3° | 125.0° |
| C1' | N9 | C4 | 131.0° | 124.9° |
| C8 | N9 | C4 | 104.8° | 110.1° |
| N9 | C8 | C7 | 113.9° | 109.8° |
| N9 | C8 | HC81 | 125.3° | 125.1° |
| N9 | C4 | C5 | 106.6° | 107.1° |
| N9 | C4 | N3 | 125.3° | 134.3° |
| C7 | C8 | HC81 | 120.7° | 125.0° |
| C8 | C7 | C5 | 104.1° | 106.8° |
| C8 | C7 | HC71 | 126.2° | 126.6° |
| C5 | C7 | HC71 | 129.7° | 126.6° |
| C7 | C5 | C6 | 133.9° | 135.1° |
| C7 | C5 | C4 | 110.6° | 106.2° |
| C6 | C5 | C4 | 115.6° | 118.6° |
| C5 | C6 | N6 | 122.6° | 120.8° |
| C5 | C6 | N1 | 117.4° | 118.4° |
| C5 | C4 | N3 | 128.0° | 118.5° |
| N6 | C6 | N1 | 120.1° | 120.8° |
| C6 | N6 | HN61 | 107.5° | 120.0° |
| C6 | N6 | HN62 | 122.5° | 120.0° |
| C6 | N1 | C2 | 120.4° | 121.0° |
| HN61 | N6 | HN62 | 107.6° | 120.0° |
| N1 | C2 | N3 | 127.1° | 122.7° |
| N1 | C2 | HC21 | 116.2° | 118.6° |
| N3 | C2 | HC21 | 116.8° | 118.7° |
| C2 | N3 | C4 | 111.6° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S5' | CS | HCS1 | HCS2 | 116.5° | 119.9° |
| S5' | CS | HCS1 | HCS3 | 121.7° | 120.0° |
| S5' | CS | HCS2 | HCS3 | 125.3° | 120.0° |
| CS | S5' | C5' | C4' | 82.9° | 180.0° |
| CS | S5' | C5' | H5'1 | 151.9° | 60.0° |
| CS | S5' | C5' | H5'2 | 42.4° | 60.0° |
| HCS1 | CS | HCS2 | HCS3 | 109.4° | 120.0° |
| HCS1 | CS | S5' | C5' | 54.7° | 59.9° |
| HCS2 | CS | S5' | C5' | 180.0° | 60.0° |
| HCS3 | CS | S5' | C5' | 54.7° | 180.0° |
| S5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| S5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| S5' | C5' | H5'1 | H5'2 | 116.7° | 120.0° |
| S5' | C5' | C4' | O4' | 165.1° | 66.7° |
| S5' | C5' | C4' | C3' | 76.7° | 175.3° |
| S5' | C5' | C4' | H4'1 | 42.4° | 54.3° |
| C4' | C5' | H5'1 | H5'2 | 116.8° | 120.1° |
| C5' | C4' | O4' | C3' | 124.3° | 119.5° |
| C5' | C4' | O4' | H4'1 | 116.3° | 121.0° |
| C5' | C4' | C3' | H4'1 | 116.2° | 121.0° |
| C5' | C4' | O4' | C1' | 86.6° | 145.9° |
| C5' | C4' | C3' | C2' | 85.4° | 121.4° |
| C5' | C4' | C3' | O3' | 157.8° | 119.9° |
| C5' | C4' | C3' | H3'1 | 37.7° | 2.8° |
| H5'1 | C5' | C4' | O4' | 69.7° | 53.2° |
| H5'1 | C5' | C4' | C3' | 48.5° | 64.7° |
| H5'1 | C5' | C4' | H4'1 | 167.6° | 174.3° |
| H5'2 | C5' | C4' | O4' | 39.9° | 173.3° |
| H5'2 | C5' | C4' | C3' | 158.0° | 55.4° |
| H5'2 | C5' | C4' | H4'1 | 82.8° | 65.7° |
| O4' | C4' | C3' | H4'1 | 122.8° | 119.5° |
| O4' | C4' | C3' | C2' | 35.6° | 1.9° |
| C4' | O4' | C1' | C2' | 20.3° | 40.1° |
| O4' | C4' | C3' | O3' | 81.1° | 120.7° |
| O4' | C4' | C3' | H3'1 | 158.8° | 116.7° |
| C4' | O4' | C1' | N9 | 103.7° | 158.8° |
| C4' | O4' | C1' | H1'1 | 139.5° | 78.4° |
| C3' | C4' | O4' | C1' | 37.7° | 26.4° |
| C4' | C3' | C2' | O2' | 148.1° | 139.2° |
| C4' | C3' | C2' | O3' | 113.8° | 118.9° |
| C4' | C3' | C2' | H3'1 | 125.6° | 118.5° |
| C4' | C3' | C2' | C1' | 24.1° | 21.0° |
| C4' | C3' | C2' | H2'1 | 95.9° | 97.3° |
| C4' | C3' | O3' | H3'1 | 126.5° | 122.6° |
| C4' | C3' | O3' | HO31 | 180.0° | 176.3° |
| H4'1 | C4' | O4' | C1' | 157.1° | 93.1° |
| H4'1 | C4' | C3' | C2' | 158.4° | 117.6° |
| H4'1 | C4' | C3' | O3' | 41.7° | 1.2° |
| H4'1 | C4' | C3' | H3'1 | 78.4° | 123.8° |
| O4' | C1' | C2' | O2' | 128.3° | 155.3° |
| O4' | C1' | C2' | C3' | 3.5° | 37.2° |
| O4' | C1' | C2' | N9 | 116.0° | 118.5° |
| O4' | C1' | C2' | H1'1 | 126.8° | 118.5° |
| O4' | C1' | C2' | H2'1 | 115.5° | 81.2° |
| O4' | C1' | N9 | H1'1 | 126.9° | 122.8° |
| O4' | C1' | N9 | C8 | 69.3° | 23.6° |
| O4' | C1' | N9 | C4 | 110.0° | 156.8° |
| O2' | C2' | C3' | C1' | 124.0° | 118.1° |
| O2' | C2' | C3' | H2'1 | 116.0° | 123.5° |
| O2' | C2' | C1' | H2'1 | 116.2° | 123.5° |
| O2' | C2' | C3' | O3' | 34.2° | 20.3° |
| O2' | C2' | C3' | H3'1 | 86.4° | 102.3° |
| O2' | C2' | C1' | N9 | 115.7° | 86.2° |
| O2' | C2' | C1' | H1'1 | 1.6° | 36.8° |
| C3' | C2' | C1' | H2'1 | 119.0° | 118.4° |
| C3' | C2' | O2' | HO21 | 180.0° | 67.3° |
| C2' | C3' | O3' | H3'1 | 124.5° | 122.6° |
| C2' | C3' | O3' | HO31 | 71.0° | 61.5° |
| C3' | C2' | C1' | N9 | 119.5° | 155.7° |
| C3' | C2' | C1' | H1'1 | 123.2° | 81.3° |
| C1' | C2' | O2' | HO21 | 58.3° | 180.0° |
| C1' | C2' | C3' | O3' | 89.7° | 97.9° |
| C1' | C2' | C3' | H3'1 | 149.6° | 139.6° |
| C2' | C1' | N9 | H1'1 | 119.9° | 123.1° |
| C2' | C1' | N9 | C8 | 177.6° | 90.5° |
| C2' | C1' | N9 | C4 | 3.1° | 89.1° |
| H2'1 | C2' | O2' | HO21 | 61.3° | 56.4° |
| H2'1 | C2' | C3' | O3' | 150.3° | 143.8° |
| H2'1 | C2' | C3' | H3'1 | 29.7° | 21.2° |
| H2'1 | C2' | C1' | N9 | 0.5° | 37.3° |
| H2'1 | C2' | C1' | H1'1 | 117.8° | 160.3° |
| H3'1 | C3' | O3' | HO31 | 53.5° | 61.1° |
| C1' | N9 | C8 | C4 | 179.4° | 179.6° |
| C1' | N9 | C8 | C7 | 179.2° | 180.0° |
| C1' | N9 | C8 | HC81 | 0.8° | 0.1° |
| C1' | N9 | C4 | C5 | 179.0° | 179.9° |
| C1' | N9 | C4 | N3 | 0.6° | 0.9° |
| H1'1 | C1' | N9 | C8 | 57.7° | 146.5° |
| H1'1 | C1' | N9 | C4 | 123.0° | 34.0° |
| N9 | C8 | C7 | HC81 | 180.0° | 179.9° |
| N9 | C8 | C7 | C5 | 0.0° | 0.0° |
| N9 | C8 | C7 | HC71 | 180.0° | 180.0° |
| C8 | N9 | C4 | C5 | 0.4° | 0.5° |
| C8 | N9 | C4 | N3 | 180.0° | 179.5° |
| C4 | N9 | C8 | C7 | 0.2° | 0.3° |
| C4 | N9 | C8 | HC81 | 179.8° | 179.7° |
| N9 | C4 | C5 | C7 | 0.5° | 0.4° |
| N9 | C4 | C5 | C6 | 179.4° | 179.8° |
| N9 | C4 | C5 | N3 | 179.5° | 179.2° |
| N9 | C4 | N3 | C2 | 179.3° | 179.5° |
| C8 | C7 | C5 | HC71 | 180.0° | 180.0° |
| C8 | C7 | C5 | C6 | 179.5° | 180.0° |
| C8 | C7 | C5 | C4 | 0.3° | 0.3° |
| HC81 | C8 | C7 | C5 | 179.9° | 180.0° |
| HC81 | C8 | C7 | HC71 | 0.1° | 0.0° |
| C7 | C5 | C6 | C4 | 179.8° | 179.7° |
| C7 | C5 | C6 | N6 | 0.1° | 0.1° |
| C7 | C5 | C6 | N1 | 179.8° | 180.0° |
| C7 | C5 | C4 | N3 | 180.0° | 179.6° |
| HC71 | C7 | C5 | C6 | 0.5° | 0.0° |
| HC71 | C7 | C5 | C4 | 179.7° | 179.8° |
| C5 | C6 | N6 | N1 | 179.8° | 180.0° |
| C5 | C6 | N6 | HN61 | 54.7° | 0.1° |
| C5 | C6 | N6 | HN62 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.6° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| C4 | C5 | C6 | N1 | 0.0° | 0.3° |
| C5 | C4 | N3 | C2 | 0.1° | 0.6° |
| C6 | N6 | HN61 | HN62 | 133.8° | 179.9° |
| N6 | C6 | N1 | C2 | 179.9° | 180.0° |
| N1 | C6 | N6 | HN61 | 125.1° | 180.0° |
| N1 | C6 | N6 | HN62 | 0.2° | 0.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | HC21 | 179.9° | 180.0° |
| N1 | C2 | N3 | HC21 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| HC21 | C2 | N3 | C4 | 180.0° | 179.7° |
