Obsolete: TCB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S4' | sing | 1.81Å | 1.76Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.58Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C1' | O5' | sing | 1.43Å | 1.41Å | |
| C1' | O1' | sing | 1.43Å | 1.41Å | |
| C1' | C2' | sing | 1.53Å | 1.52Å | |
| C2' | C3' | sing | 1.53Å | 1.51Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| C4' | S4' | sing | 1.81Å | 1.79Å | |
| C5' | O5' | sing | 1.43Å | 1.47Å | |
| C5' | C6' | sing | 1.53Å | 1.56Å | |
| C6' | O6' | sing | 1.43Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C6' | H6'2 | sing | 1.09Å | 1.10Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| O1' | HO1' | sing | 0.97Å | 0.95Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S4' | C1 | C2 | 108.6° | 109.5° |
| S4' | C1 | O5 | 111.0° | 109.5° |
| C1 | S4' | C4' | 98.9° | 103.0° |
| S4' | C1 | H1 | 106.5° | 109.5° |
| C2 | C1 | O5 | 111.1° | 109.4° |
| C1 | C2 | O2 | 109.3° | 109.5° |
| C1 | C2 | C3 | 113.0° | 109.2° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.6° |
| C1 | O5 | C5 | 106.8° | 114.1° |
| O5 | C1 | H1 | 110.3° | 109.4° |
| O2 | C2 | C3 | 104.7° | 109.5° |
| O2 | C2 | H2 | 111.2° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | O3 | 111.4° | 109.5° |
| C2 | C3 | C4 | 103.9° | 109.0° |
| C3 | C2 | H2 | 109.2° | 109.6° |
| C2 | C3 | H3 | 105.5° | 109.5° |
| O3 | C3 | C4 | 122.5° | 109.6° |
| O3 | C3 | H3 | 106.7° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | O4 | 111.4° | 109.5° |
| C3 | C4 | C5 | 110.5° | 109.2° |
| C4 | C3 | H3 | 105.6° | 109.6° |
| C3 | C4 | H4 | 106.0° | 109.6° |
| O4 | C4 | C5 | 115.9° | 109.5° |
| O4 | C4 | H4 | 107.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | O5 | 115.0° | 109.4° |
| C4 | C5 | C6 | 109.2° | 109.5° |
| C5 | C4 | H4 | 105.5° | 109.6° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| O5 | C5 | C6 | 106.4° | 109.5° |
| O5 | C5 | H5 | 110.0° | 109.4° |
| C5 | C6 | O6 | 112.0° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.5° |
| C5 | C6 | H61 | 108.8° | 109.4° |
| C5 | C6 | H62 | 108.8° | 109.4° |
| O6 | C6 | H61 | 108.8° | 109.5° |
| O6 | C6 | H62 | 108.8° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 113.9° |
| O5' | C1' | O1' | 108.1° | 109.5° |
| O5' | C1' | C2' | 107.6° | 109.5° |
| C1' | O5' | C5' | 106.6° | 114.1° |
| O5' | C1' | H1' | 111.2° | 109.5° |
| O1' | C1' | C2' | 109.0° | 109.5° |
| O1' | C1' | H1' | 111.2° | 109.5° |
| C1' | O1' | HO1' | 109.5° | 114.0° |
| C1' | C2' | C3' | 111.2° | 109.2° |
| C1' | C2' | O2' | 111.1° | 109.6° |
| C2' | C1' | H1' | 109.6° | 109.4° |
| C1' | C2' | H2' | 108.5° | 109.5° |
| C3' | C2' | O2' | 107.8° | 109.5° |
| C2' | C3' | C4' | 111.0° | 109.0° |
| C2' | C3' | O3' | 115.2° | 109.6° |
| C3' | C2' | H2' | 108.6° | 109.5° |
| C2' | C3' | H3' | 106.6° | 109.6° |
| O2' | C2' | H2' | 109.6° | 109.6° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C4' | C3' | O3' | 109.8° | 109.5° |
| C3' | C4' | C5' | 119.2° | 109.1° |
| C3' | C4' | S4' | 107.2° | 109.5° |
| C4' | C3' | H3' | 106.4° | 109.5° |
| C3' | C4' | H4' | 107.0° | 109.5° |
| O3' | C3' | H3' | 107.2° | 109.6° |
| C3' | O3' | HO3' | 109.5° | 113.9° |
| C5' | C4' | S4' | 111.2° | 109.5° |
| C4' | C5' | O5' | 116.9° | 109.4° |
| C4' | C5' | C6' | 105.3° | 109.4° |
| C5' | C4' | H4' | 106.7° | 109.5° |
| C4' | C5' | H5' | 106.5° | 109.5° |
| S4' | C4' | H4' | 104.5° | 109.6° |
| O5' | C5' | C6' | 113.4° | 109.5° |
| O5' | C5' | H5' | 107.6° | 109.5° |
| C5' | C6' | O6' | 109.6° | 109.4° |
| C6' | C5' | H5' | 106.5° | 109.5° |
| C5' | C6' | H6'2 | 109.4° | 109.5° |
| C5' | C6' | H6'1 | 109.5° | 109.5° |
| O6' | C6' | H6'2 | 109.5° | 109.5° |
| O6' | C6' | H6'1 | 109.5° | 109.4° |
| C6' | O6' | HO6' | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H6'2 | C6' | H6'1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S4' | C1 | C2 | O5 | 122.4° | 120.0° |
| S4' | C1 | C2 | H1 | 115.8° | 120.1° |
| S4' | C1 | O5 | H1 | 117.9° | 120.0° |
| S4' | C1 | C2 | O2 | 58.2° | 62.5° |
| S4' | C1 | C2 | C3 | 174.3° | 177.6° |
| S4' | C1 | O5 | C5 | 178.5° | 178.8° |
| C1 | S4' | C4' | C3' | 118.0° | 74.0° |
| C1 | S4' | C4' | C5' | 110.1° | 166.4° |
| S4' | C1 | C2 | H2 | 63.8° | 57.6° |
| C1 | S4' | C4' | H4' | 4.6° | 46.2° |
| C2 | C1 | O5 | H1 | 121.2° | 120.0° |
| C1 | C2 | O2 | C3 | 121.3° | 119.7° |
| C1 | C2 | O2 | H2 | 120.9° | 120.2° |
| C1 | C2 | C3 | H2 | 122.0° | 120.0° |
| C1 | C2 | C3 | O3 | 169.7° | 176.9° |
| C1 | C2 | C3 | C4 | 56.6° | 57.0° |
| C2 | C1 | O5 | C5 | 60.6° | 61.1° |
| C2 | C1 | S4' | C4' | 146.8° | 105.9° |
| C1 | C2 | C3 | H3 | 54.3° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| O5 | C1 | C2 | O2 | 179.4° | 177.5° |
| O5 | C1 | C2 | C3 | 63.3° | 57.6° |
| C1 | O5 | C5 | C4 | 60.0° | 61.1° |
| C1 | O5 | C5 | C6 | 179.0° | 178.8° |
| O5 | C1 | S4' | C4' | 90.8° | 134.2° |
| O5 | C1 | C2 | H2 | 58.6° | 62.4° |
| C1 | O5 | C5 | H5 | 61.9° | 58.8° |
| O2 | C2 | C3 | H2 | 119.2° | 120.1° |
| O2 | C2 | C3 | O3 | 50.9° | 63.3° |
| O2 | C2 | C3 | C4 | 175.4° | 176.9° |
| O2 | C2 | C1 | H1 | 57.5° | 57.6° |
| O2 | C2 | C3 | H3 | 64.5° | 57.0° |
| C2 | C3 | O3 | C4 | 123.7° | 119.5° |
| C2 | C3 | O3 | H3 | 114.7° | 120.2° |
| C2 | C3 | C4 | H3 | 110.8° | 119.9° |
| C2 | C3 | C4 | O4 | 177.8° | 176.9° |
| C2 | C3 | C4 | C5 | 52.0° | 57.0° |
| C3 | C2 | C1 | H1 | 58.6° | 62.3° |
| C2 | C3 | C4 | H4 | 61.8° | 63.0° |
| C3 | C2 | O2 | HO2 | 58.7° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| O3 | C3 | C4 | H3 | 122.2° | 120.3° |
| O3 | C3 | C4 | O4 | 50.8° | 63.3° |
| O3 | C3 | C4 | C5 | 179.0° | 176.8° |
| O3 | C3 | C2 | H2 | 68.3° | 56.8° |
| O3 | C3 | C4 | H4 | 65.2° | 56.8° |
| C3 | C4 | O4 | C5 | 127.3° | 119.7° |
| C3 | C4 | O4 | H4 | 115.4° | 120.2° |
| C3 | C4 | C5 | H4 | 114.1° | 120.0° |
| C3 | C4 | C5 | O5 | 59.3° | 57.6° |
| C3 | C4 | C5 | C6 | 178.9° | 177.6° |
| C4 | C3 | C2 | H2 | 65.4° | 63.0° |
| C3 | C4 | C5 | H5 | 63.8° | 62.3° |
| C4 | C3 | O3 | HO3 | 56.3° | 179.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| O4 | C4 | C5 | H4 | 118.1° | 120.1° |
| O4 | C4 | C5 | O5 | 172.9° | 177.5° |
| O4 | C4 | C5 | C6 | 53.4° | 62.5° |
| O4 | C4 | C3 | H3 | 71.4° | 57.0° |
| O4 | C4 | C5 | H5 | 64.0° | 57.6° |
| C4 | C5 | O5 | C6 | 121.0° | 120.0° |
| C4 | C5 | O5 | H5 | 121.9° | 120.0° |
| C4 | C5 | C6 | H5 | 117.0° | 120.1° |
| C4 | C5 | C6 | O6 | 175.0° | 174.7° |
| C5 | C4 | C3 | H3 | 58.8° | 62.9° |
| C4 | C5 | C6 | H61 | 64.7° | 54.7° |
| C4 | C5 | C6 | H62 | 54.6° | 65.2° |
| C5 | C4 | O4 | HO4 | 52.6° | 179.7° |
| O5 | C5 | C6 | H5 | 118.3° | 120.0° |
| O5 | C5 | C6 | O6 | 50.2° | 65.3° |
| C5 | O5 | C1 | H1 | 60.6° | 58.8° |
| O5 | C5 | C4 | H4 | 54.8° | 62.4° |
| O5 | C5 | C6 | H61 | 170.6° | 174.6° |
| O5 | C5 | C6 | H62 | 70.1° | 54.7° |
| C5 | C6 | O6 | H61 | 120.4° | 120.0° |
| C5 | C6 | O6 | H62 | 120.4° | 120.0° |
| C6 | C5 | C4 | H4 | 64.7° | 57.6° |
| C5 | C6 | H61 | H62 | 118.8° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 68.0° | 54.6° |
| O6 | C6 | H61 | H62 | 118.8° | 120.1° |
| O5' | C1' | O1' | C2' | 116.7° | 120.0° |
| O5' | C1' | O1' | H1' | 122.4° | 120.0° |
| O5' | C1' | C2' | H1' | 121.1° | 120.0° |
| O5' | C1' | C2' | C3' | 73.5° | 57.6° |
| O5' | C1' | C2' | O2' | 166.5° | 177.5° |
| C1' | O5' | C5' | C4' | 44.1° | 61.2° |
| C1' | O5' | C5' | C6' | 166.9° | 178.9° |
| O5' | C1' | C2' | H2' | 45.9° | 62.3° |
| C1' | O5' | C5' | H5' | 75.6° | 58.9° |
| O5' | C1' | O1' | HO1' | 180.0° | 60.0° |
| O1' | C1' | C2' | H1' | 121.9° | 120.0° |
| O1' | C1' | C2' | C3' | 169.5° | 177.6° |
| O1' | C1' | C2' | O2' | 49.5° | 62.5° |
| O1' | C1' | O5' | C5' | 169.5° | 178.9° |
| O1' | C1' | C2' | H2' | 71.1° | 57.7° |
| C1' | C2' | C3' | O2' | 121.9° | 120.0° |
| C1' | C2' | C3' | H2' | 119.4° | 119.9° |
| C1' | C2' | O2' | H2' | 119.9° | 120.2° |
| C1' | C2' | C3' | C4' | 38.3° | 57.0° |
| C1' | C2' | C3' | O3' | 164.0° | 176.8° |
| C2' | C1' | O5' | C5' | 72.9° | 61.1° |
| C1' | C2' | C3' | H3' | 77.2° | 62.9° |
| C2' | C1' | O1' | HO1' | 63.3° | 180.0° |
| C1' | C2' | O2' | HO2' | 180.0° | 60.0° |
| C3' | C2' | O2' | H2' | 118.1° | 120.1° |
| C2' | C3' | C4' | O3' | 128.6° | 119.9° |
| C2' | C3' | C4' | H3' | 115.7° | 119.9° |
| C2' | C3' | O3' | H3' | 118.5° | 120.3° |
| C2' | C3' | C4' | C5' | 11.7° | 57.0° |
| C2' | C3' | C4' | S4' | 139.1° | 176.9° |
| C3' | C2' | C1' | H1' | 47.6° | 62.4° |
| C2' | C3' | C4' | H4' | 109.3° | 62.9° |
| C3' | C2' | O2' | HO2' | 58.0° | 179.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 55.2° |
| O2' | C2' | C3' | C4' | 160.3° | 176.9° |
| O2' | C2' | C3' | O3' | 74.1° | 63.2° |
| O2' | C2' | C1' | H1' | 72.4° | 57.5° |
| O2' | C2' | C3' | H3' | 44.8° | 57.1° |
| C4' | C3' | O3' | H3' | 115.2° | 120.1° |
| C3' | C4' | C5' | S4' | 125.5° | 119.9° |
| C3' | C4' | C5' | H4' | 121.2° | 119.8° |
| C3' | C4' | S4' | H4' | 113.4° | 120.2° |
| C3' | C4' | C5' | O5' | 14.3° | 57.6° |
| C3' | C4' | C5' | C6' | 141.1° | 177.6° |
| C4' | C3' | C2' | H2' | 81.0° | 62.9° |
| C3' | C4' | C5' | H5' | 106.0° | 62.4° |
| C4' | C3' | O3' | HO3' | 53.7° | 174.8° |
| O3' | C3' | C4' | C5' | 140.4° | 176.9° |
| O3' | C3' | C4' | S4' | 92.3° | 63.2° |
| O3' | C3' | C2' | H2' | 44.6° | 56.9° |
| O3' | C3' | C4' | H4' | 19.4° | 57.0° |
| C5' | C4' | S4' | H4' | 114.7° | 120.2° |
| C4' | C5' | O5' | C6' | 122.8° | 120.0° |
| C4' | C5' | O5' | H5' | 119.7° | 120.0° |
| C4' | C5' | C6' | H5' | 112.8° | 120.0° |
| C4' | C5' | C6' | O6' | 127.6° | 175.0° |
| C5' | C4' | C3' | H3' | 103.9° | 62.9° |
| C4' | C5' | C6' | H6'2 | 7.5° | 55.0° |
| C4' | C5' | C6' | H6'1 | 112.4° | 65.1° |
| S4' | C4' | C5' | O5' | 139.8° | 177.5° |
| S4' | C4' | C5' | C6' | 93.4° | 62.5° |
| C4' | S4' | C1 | H1 | 29.3° | 14.2° |
| S4' | C4' | C3' | H3' | 23.4° | 57.0° |
| S4' | C4' | C5' | H5' | 19.5° | 57.5° |
| O5' | C5' | C6' | H5' | 118.2° | 120.0° |
| O5' | C5' | C6' | O6' | 103.5° | 65.0° |
| C5' | O5' | C1' | H1' | 47.1° | 58.8° |
| O5' | C5' | C4' | H4' | 106.9° | 62.2° |
| O5' | C5' | C6' | H6'2 | 136.5° | 174.9° |
| O5' | C5' | C6' | H6'1 | 16.5° | 54.9° |
| C5' | C6' | O6' | H6'2 | 120.0° | 120.0° |
| C5' | C6' | O6' | H6'1 | 120.0° | 120.0° |
| C6' | C5' | C4' | H4' | 19.9° | 57.8° |
| C5' | C6' | H6'2 | H6'1 | 120.0° | 120.0° |
| C5' | C6' | O6' | HO6' | 180.0° | 180.0° |
| O6' | C6' | C5' | H5' | 14.7° | 55.0° |
| O6' | C6' | H6'2 | H6'1 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 179.5° | 177.7° |
| H2 | C2 | C3 | H3 | 176.3° | 177.1° |
| H2 | C2 | O2 | HO2 | 59.1° | 60.2° |
| H3 | C3 | C4 | H4 | 172.6° | 177.1° |
| H3 | C3 | O3 | HO3 | 65.4° | 60.2° |
| H4 | C4 | C5 | H5 | 177.9° | 177.7° |
| H4 | C4 | O4 | HO4 | 64.6° | 60.1° |
| H5 | C5 | C6 | H61 | 52.4° | 65.4° |
| H5 | C5 | C6 | H62 | 171.6° | 174.7° |
| H61 | C6 | O6 | HO6 | 59.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.6° | 60.0° |
| H1' | C1' | C2' | H2' | 167.0° | 177.7° |
| H1' | C1' | O1' | HO1' | 57.6° | 60.0° |
| H2' | C2' | C3' | H3' | 163.5° | 177.2° |
| H2' | C2' | O2' | HO2' | 60.1° | 60.2° |
| H3' | C3' | C4' | H4' | 135.1° | 177.2° |
| H3' | C3' | O3' | HO3' | 61.5° | 65.1° |
| H4' | C4' | C5' | H5' | 132.8° | 177.7° |
| H5' | C5' | C6' | H6'2 | 105.3° | 65.0° |
| H5' | C5' | C6' | H6'1 | 134.7° | 174.9° |
| H6'2 | C6' | O6' | HO6' | 60.0° | 60.0° |
| H6'1 | C6' | O6' | HO6' | 60.0° | 60.1° |
