Z4U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | S4 | sing | 1.81Å | 1.84Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| S4 | HS4 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 110.3° | 109.5° |
| O1 | C1 | O5 | 111.9° | 109.5° |
| O1 | C1 | H1 | 108.7° | 109.5° |
| C1 | O1 | C6 | 112.2° | 114.0° |
| C2 | C1 | O5 | 109.8° | 109.4° |
| C2 | C1 | H1 | 107.4° | 109.5° |
| C1 | C2 | O2 | 109.5° | 109.5° |
| C1 | C2 | C3 | 110.8° | 109.1° |
| C1 | C2 | H2 | 108.5° | 109.6° |
| O5 | C1 | H1 | 108.7° | 109.5° |
| C1 | O5 | C5 | 114.5° | 114.1° |
| O1 | C6 | H21 | 109.5° | 109.5° |
| O1 | C6 | H22 | 109.5° | 109.5° |
| O1 | C6 | H23 | 109.5° | 109.5° |
| H21 | C6 | H22 | 109.5° | 109.5° |
| H21 | C6 | H23 | 109.5° | 109.5° |
| H22 | C6 | H23 | 109.5° | 109.5° |
| O2 | C2 | C3 | 109.5° | 109.5° |
| O2 | C2 | H2 | 110.0° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C2 | H2 | 108.5° | 109.6° |
| C2 | C3 | O3 | 109.1° | 109.6° |
| C2 | C3 | C4 | 111.9° | 109.0° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| O3 | C3 | C4 | 109.3° | 109.6° |
| O3 | C3 | H3 | 109.9° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 108.3° | 109.6° |
| C3 | C4 | S4 | 110.0° | 109.5° |
| C3 | C4 | C5 | 110.3° | 109.2° |
| C3 | C4 | H4 | 110.3° | 109.5° |
| S4 | C4 | C5 | 108.9° | 109.5° |
| S4 | C4 | H4 | 106.9° | 109.5° |
| C4 | S4 | HS4 | 102.0° | 103.0° |
| C5 | C4 | H4 | 110.3° | 109.6° |
| C4 | C5 | O5 | 110.8° | 109.4° |
| C4 | C5 | H51 | 109.1° | 109.5° |
| C4 | C5 | H52 | 109.1° | 109.5° |
| O5 | C5 | H51 | 109.1° | 109.5° |
| O5 | C5 | H52 | 109.1° | 109.4° |
| H51 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 123.7° | 119.9° |
| O1 | C1 | C2 | H1 | 118.3° | 120.0° |
| O1 | C1 | O5 | H1 | 120.0° | 120.0° |
| C1 | O1 | C6 | H21 | 180.0° | 60.0° |
| C1 | O1 | C6 | H22 | 60.0° | 180.0° |
| C1 | O1 | C6 | H23 | 60.0° | 60.0° |
| O1 | C1 | C2 | O2 | 52.4° | 57.7° |
| O1 | C1 | C2 | C3 | 68.5° | 177.6° |
| O1 | C1 | C2 | H2 | 172.5° | 62.4° |
| O1 | C1 | O5 | C5 | 61.9° | 178.9° |
| C2 | C1 | O5 | H1 | 117.2° | 120.1° |
| C2 | C1 | O1 | C6 | 95.5° | 170.0° |
| C1 | C2 | O2 | C3 | 121.6° | 119.7° |
| C1 | C2 | O2 | H2 | 119.2° | 120.2° |
| C1 | C2 | C3 | H2 | 119.0° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 172.5° | 62.9° |
| C1 | C2 | C3 | C4 | 51.4° | 57.0° |
| C1 | C2 | C3 | H3 | 67.9° | 176.9° |
| C2 | C1 | O5 | C5 | 60.9° | 61.2° |
| O5 | C1 | O1 | C6 | 142.0° | 70.1° |
| O5 | C1 | C2 | O2 | 176.1° | 62.2° |
| O5 | C1 | C2 | C3 | 55.2° | 57.6° |
| O5 | C1 | C2 | H2 | 63.8° | 177.6° |
| C1 | O5 | C5 | C4 | 60.0° | 61.1° |
| C1 | O5 | C5 | H51 | 60.2° | 178.8° |
| C1 | O5 | C5 | H52 | 179.8° | 58.8° |
| H1 | C1 | O1 | C6 | 21.9° | 49.9° |
| H1 | C1 | C2 | O2 | 65.9° | 177.7° |
| H1 | C1 | C2 | C3 | 173.2° | 62.4° |
| H1 | C1 | C2 | H2 | 54.2° | 57.6° |
| H1 | C1 | O5 | C5 | 178.1° | 58.9° |
| O1 | C6 | H21 | H22 | 120.0° | 120.0° |
| O1 | C6 | H21 | H23 | 120.0° | 120.0° |
| O1 | C6 | H22 | H23 | 120.0° | 120.0° |
| H21 | C6 | H22 | H23 | 120.0° | 120.0° |
| O2 | C2 | C3 | H2 | 120.1° | 120.1° |
| O2 | C2 | C3 | O3 | 66.6° | 177.2° |
| O2 | C2 | C3 | C4 | 172.3° | 62.9° |
| O2 | C2 | C3 | H3 | 53.0° | 57.0° |
| C3 | C2 | O2 | HO2 | 58.4° | 179.7° |
| C2 | C3 | O3 | C4 | 122.7° | 119.6° |
| C2 | C3 | O3 | H3 | 118.6° | 120.2° |
| C2 | C3 | C4 | H3 | 119.3° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C2 | C3 | C4 | S4 | 170.0° | 62.9° |
| C2 | C3 | C4 | C5 | 49.9° | 57.0° |
| C2 | C3 | C4 | H4 | 72.3° | 177.0° |
| H2 | C2 | O2 | HO2 | 60.8° | 60.2° |
| H2 | C2 | C3 | O3 | 53.5° | 57.1° |
| H2 | C2 | C3 | C4 | 67.6° | 177.0° |
| H2 | C2 | C3 | H3 | 173.1° | 63.1° |
| O3 | C3 | C4 | H3 | 119.6° | 120.2° |
| O3 | C3 | C4 | S4 | 69.0° | 177.2° |
| O3 | C3 | C4 | C5 | 170.9° | 62.9° |
| O3 | C3 | C4 | H4 | 48.7° | 57.1° |
| C4 | C3 | O3 | HO3 | 57.3° | 60.4° |
| C3 | C4 | S4 | C5 | 121.0° | 119.7° |
| C3 | C4 | S4 | H4 | 119.8° | 120.2° |
| C3 | C4 | C5 | H4 | 122.1° | 120.0° |
| C3 | C4 | C5 | O5 | 52.3° | 57.6° |
| C3 | C4 | C5 | H51 | 67.9° | 177.6° |
| C3 | C4 | C5 | H52 | 172.6° | 62.4° |
| C3 | C4 | S4 | HS4 | 180.0° | 180.0° |
| H3 | C3 | O3 | HO3 | 61.3° | 59.8° |
| H3 | C3 | C4 | S4 | 50.7° | 57.0° |
| H3 | C3 | C4 | C5 | 69.5° | 176.9° |
| H3 | C3 | C4 | H4 | 168.4° | 63.1° |
| S4 | C4 | C5 | H4 | 117.1° | 120.1° |
| S4 | C4 | C5 | O5 | 173.2° | 62.3° |
| S4 | C4 | C5 | H51 | 53.0° | 57.7° |
| S4 | C4 | C5 | H52 | 66.6° | 177.8° |
| C4 | C5 | O5 | H51 | 120.2° | 120.0° |
| C4 | C5 | O5 | H52 | 120.2° | 119.9° |
| C4 | C5 | H51 | H52 | 119.4° | 120.0° |
| C5 | C4 | S4 | HS4 | 59.0° | 60.3° |
| H4 | C4 | C5 | O5 | 69.8° | 177.5° |
| H4 | C4 | C5 | H51 | 170.0° | 62.4° |
| H4 | C4 | C5 | H52 | 50.4° | 57.6° |
| H4 | C4 | S4 | HS4 | 60.2° | 59.9° |
| O5 | C5 | H51 | H52 | 119.4° | 120.0° |
