X34
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | S1 | doub | 1.42Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O8 | S1 | doub | 1.42Å | 1.46Å | |
| S1 | O6 | sing | 1.52Å | 1.46Å | |
| S1 | O4 | sing | 1.52Å | 1.66Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| O5 | C1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | S1 | O8 | 113.7° | 123.1° |
| O7 | S1 | O6 | 113.9° | 106.4° |
| O7 | S1 | O4 | 105.0° | 106.4° |
| C6 | C5 | C4 | 114.0° | 109.5° |
| C6 | C5 | O5 | 107.5° | 109.5° |
| C6 | C5 | H5 | 107.4° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| O8 | S1 | O6 | 113.7° | 106.4° |
| O8 | S1 | O4 | 105.3° | 106.4° |
| O6 | S1 | O4 | 103.8° | 107.2° |
| S1 | O6 | H6 | 109.5° | 114.0° |
| S1 | O4 | C4 | 119.3° | 114.0° |
| C4 | C5 | O5 | 112.0° | 109.4° |
| C5 | C4 | O4 | 110.4° | 109.5° |
| C5 | C4 | C3 | 108.1° | 109.2° |
| C4 | C5 | H5 | 107.2° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.5° |
| C5 | O5 | C1 | 115.1° | 114.1° |
| O5 | C5 | H5 | 108.6° | 109.5° |
| O4 | C4 | C3 | 111.2° | 109.5° |
| O4 | C4 | H4 | 110.0° | 109.5° |
| C4 | C3 | O3 | 111.7° | 109.5° |
| C4 | C3 | C2 | 109.4° | 109.1° |
| C3 | C4 | H4 | 108.6° | 109.6° |
| C4 | C3 | H3 | 106.8° | 109.5° |
| O3 | C3 | C2 | 113.5° | 109.6° |
| O3 | C3 | H3 | 108.3° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | C1 | 110.1° | 109.2° |
| C3 | C2 | O2 | 114.4° | 109.5° |
| C2 | C3 | H3 | 106.8° | 109.6° |
| C3 | C2 | H2 | 106.0° | 109.5° |
| O5 | C1 | C2 | 110.4° | 109.4° |
| O5 | C1 | H1 | 109.6° | 109.4° |
| O5 | C1 | O1 | 110.1° | 109.4° |
| C1 | C2 | O2 | 112.2° | 109.5° |
| C1 | C2 | H2 | 106.0° | 109.6° |
| C2 | C1 | H1 | 107.8° | 109.5° |
| C2 | C1 | O1 | 109.3° | 109.5° |
| O2 | C2 | H2 | 107.5° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| H1 | C1 | O1 | 109.6° | 109.5° |
| H63 | C6 | H62 | 109.5° | 109.4° |
| H63 | C6 | H61 | 109.5° | 109.5° |
| H62 | C6 | H61 | 109.5° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | S1 | O8 | O6 | 132.6° | 123.0° |
| O7 | S1 | O8 | O4 | 114.5° | 122.9° |
| O7 | S1 | O6 | O4 | 113.7° | 113.5° |
| O7 | S1 | O4 | C4 | 57.8° | 38.4° |
| O7 | S1 | O6 | H6 | 132.5° | 66.4° |
| C6 | C5 | C4 | O5 | 122.4° | 120.0° |
| C6 | C5 | C4 | H5 | 118.7° | 120.1° |
| C6 | C5 | O5 | H5 | 115.9° | 120.0° |
| C6 | C5 | C4 | O4 | 55.7° | 57.6° |
| C6 | C5 | C4 | C3 | 177.6° | 177.5° |
| C6 | C5 | O5 | C1 | 176.1° | 178.9° |
| C6 | C5 | C4 | H4 | 64.9° | 62.4° |
| C5 | C6 | H63 | H62 | 120.0° | 120.0° |
| C5 | C6 | H63 | H61 | 120.0° | 120.1° |
| C5 | C6 | H62 | H61 | 120.0° | 120.0° |
| O8 | S1 | O6 | O4 | 113.8° | 113.6° |
| O8 | S1 | O4 | C4 | 62.6° | 171.3° |
| O8 | S1 | O6 | H6 | 0.0° | 66.5° |
| O6 | S1 | O4 | C4 | 177.7° | 75.1° |
| S1 | O4 | C4 | C5 | 120.0° | 134.5° |
| S1 | O4 | C4 | C3 | 120.0° | 105.8° |
| S1 | O4 | C4 | H4 | 0.3° | 14.4° |
| O4 | S1 | O6 | H6 | 113.8° | 179.9° |
| C4 | C5 | O5 | H5 | 118.1° | 120.0° |
| C5 | C4 | O4 | C3 | 120.0° | 119.7° |
| C5 | C4 | O4 | H4 | 119.6° | 120.1° |
| C5 | C4 | C3 | H4 | 117.4° | 119.9° |
| C5 | C4 | C3 | O3 | 178.0° | 176.9° |
| C5 | C4 | C3 | C2 | 55.4° | 57.0° |
| C4 | C5 | O5 | C1 | 57.9° | 61.1° |
| C5 | C4 | C3 | H3 | 59.8° | 63.0° |
| C4 | C5 | C6 | H63 | 180.0° | 54.7° |
| C4 | C5 | C6 | H62 | 60.0° | 174.6° |
| C4 | C5 | C6 | H61 | 60.0° | 65.3° |
| O5 | C5 | C4 | O4 | 66.7° | 62.3° |
| O5 | C5 | C4 | C3 | 55.2° | 57.6° |
| C5 | O5 | C1 | C2 | 57.3° | 61.1° |
| O5 | C5 | C4 | H4 | 172.7° | 177.6° |
| C5 | O5 | C1 | H1 | 176.0° | 178.9° |
| O5 | C5 | C6 | H63 | 55.2° | 174.6° |
| O5 | C5 | C6 | H62 | 64.8° | 65.4° |
| O5 | C5 | C6 | H61 | 175.2° | 54.6° |
| C5 | O5 | C1 | O1 | 63.4° | 58.8° |
| O4 | C4 | C3 | H4 | 121.2° | 120.1° |
| O4 | C4 | C3 | O3 | 60.6° | 57.0° |
| O4 | C4 | C3 | C2 | 66.0° | 62.9° |
| O4 | C4 | C5 | H5 | 174.4° | 177.7° |
| O4 | C4 | C3 | H3 | 178.8° | 177.1° |
| C4 | C3 | O3 | C2 | 124.3° | 119.6° |
| C4 | C3 | O3 | H3 | 117.3° | 120.1° |
| C4 | C3 | C2 | H3 | 115.2° | 119.9° |
| C4 | C3 | C2 | C1 | 56.8° | 57.0° |
| C4 | C3 | C2 | O2 | 175.7° | 176.9° |
| C3 | C4 | C5 | H5 | 63.8° | 62.4° |
| C4 | C3 | C2 | H2 | 57.5° | 63.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 179.9° |
| O3 | C3 | C2 | H3 | 119.2° | 120.2° |
| O3 | C3 | C2 | C1 | 177.6° | 176.9° |
| O3 | C3 | C2 | O2 | 50.1° | 63.3° |
| O3 | C3 | C4 | H4 | 60.6° | 63.2° |
| O3 | C3 | C2 | H2 | 68.1° | 56.8° |
| C3 | C2 | C1 | O5 | 56.1° | 57.6° |
| C3 | C2 | C1 | O2 | 128.7° | 119.9° |
| C3 | C2 | C1 | H2 | 114.3° | 120.0° |
| C3 | C2 | O2 | H2 | 117.4° | 120.1° |
| C2 | C3 | C4 | H4 | 172.8° | 176.9° |
| C3 | C2 | C1 | H1 | 175.8° | 177.6° |
| C2 | C3 | O3 | HO3 | 55.7° | 60.5° |
| C3 | C2 | O2 | HO2 | 180.0° | 179.9° |
| C3 | C2 | C1 | O1 | 65.1° | 62.3° |
| O5 | C1 | C2 | H1 | 119.7° | 120.0° |
| O5 | C1 | C2 | O1 | 121.2° | 119.9° |
| O5 | C1 | C2 | O2 | 175.1° | 177.5° |
| C1 | O5 | C5 | H5 | 60.2° | 58.9° |
| O5 | C1 | C2 | H2 | 58.1° | 62.4° |
| O5 | C1 | H1 | O1 | 120.9° | 120.0° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.1° |
| C1 | C2 | O2 | H2 | 116.2° | 120.2° |
| C1 | C2 | C3 | H3 | 58.4° | 62.9° |
| C2 | C1 | H1 | O1 | 118.9° | 120.1° |
| C1 | C2 | O2 | HO2 | 53.6° | 60.4° |
| C2 | C1 | O1 | HO1 | 58.6° | 180.0° |
| O2 | C2 | C3 | H3 | 69.1° | 56.9° |
| O2 | C2 | C1 | H1 | 55.5° | 62.5° |
| O2 | C2 | C1 | O1 | 63.6° | 57.6° |
| H5 | C5 | C4 | H4 | 53.8° | 57.6° |
| H5 | C5 | C6 | H63 | 61.5° | 65.3° |
| H5 | C5 | C6 | H62 | 178.5° | 54.6° |
| H5 | C5 | C6 | H61 | 58.5° | 174.6° |
| H4 | C4 | C3 | H3 | 57.6° | 56.9° |
| H3 | C3 | C2 | H2 | 172.7° | 177.0° |
| H3 | C3 | O3 | HO3 | 62.6° | 59.8° |
| H2 | C2 | C1 | H1 | 61.6° | 57.6° |
| H2 | C2 | O2 | HO2 | 62.6° | 59.8° |
| H2 | C2 | C1 | O1 | 179.3° | 177.7° |
| H1 | C1 | O1 | HO1 | 59.3° | 59.9° |
| H63 | C6 | H62 | H61 | 120.0° | 120.0° |
