Z4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| O5 | C1 | sing | 1.43Å | 1.46Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O1 | C1M | sing | 1.43Å | 1.45Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | S3 | sing | 1.81Å | 1.84Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| 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 | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1M | H51 | sing | 1.09Å | 1.10Å | |
| C1M | H52 | sing | 1.09Å | 1.10Å | |
| C1M | H53 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| S3 | HS3 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 106.4° | 109.5° |
| O4 | C4 | C3 | 111.2° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C4 | H4 | 110.1° | 109.5° |
| C5 | C4 | C3 | 111.8° | 109.2° |
| C4 | C5 | C6 | 115.0° | 109.5° |
| C4 | C5 | O5 | 108.7° | 109.4° |
| C5 | C4 | H4 | 108.8° | 109.5° |
| C4 | C5 | H5 | 107.7° | 109.4° |
| C4 | C3 | C2 | 114.3° | 109.0° |
| C4 | C3 | S3 | 113.3° | 109.5° |
| C3 | C4 | H4 | 108.6° | 109.6° |
| C4 | C3 | H3 | 107.8° | 109.5° |
| C6 | C5 | O5 | 108.8° | 109.5° |
| C5 | C6 | O6 | 110.3° | 109.5° |
| C6 | C5 | H5 | 107.7° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.3° | 109.4° |
| C5 | O5 | C1 | 114.5° | 114.1° |
| O5 | C5 | H5 | 108.8° | 109.5° |
| O6 | C6 | H61 | 109.3° | 109.5° |
| O6 | C6 | H62 | 109.3° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O5 | C1 | O1 | 112.4° | 109.5° |
| O5 | C1 | C2 | 110.7° | 109.4° |
| O5 | C1 | H1 | 110.5° | 109.5° |
| O1 | C1 | C2 | 102.9° | 109.5° |
| C1 | O1 | C1M | 112.0° | 114.0° |
| O1 | C1 | H1 | 110.8° | 109.4° |
| C1 | C2 | O2 | 110.6° | 109.5° |
| C1 | C2 | C3 | 112.0° | 109.1° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C1 | C2 | H2 | 107.6° | 109.5° |
| O1 | C1M | H51 | 109.5° | 109.5° |
| O1 | C1M | H52 | 109.5° | 109.5° |
| O1 | C1M | H53 | 109.5° | 109.5° |
| O2 | C2 | C3 | 110.1° | 109.5° |
| O2 | C2 | H2 | 108.9° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | S3 | 107.6° | 109.6° |
| C3 | C2 | H2 | 107.5° | 109.6° |
| C2 | C3 | H3 | 108.1° | 109.6° |
| S3 | C3 | H3 | 105.1° | 109.6° |
| C3 | S3 | HS3 | 102.0° | 103.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H51 | C1M | H52 | 109.5° | 109.4° |
| H51 | C1M | H53 | 109.5° | 109.5° |
| H52 | C1M | H53 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C3 | 121.6° | 119.9° |
| O4 | C4 | C5 | H4 | 118.6° | 120.1° |
| O4 | C4 | C3 | H4 | 121.2° | 120.2° |
| O4 | C4 | C5 | C6 | 64.2° | 62.5° |
| O4 | C4 | C5 | O5 | 173.6° | 177.5° |
| O4 | C4 | C3 | C2 | 163.1° | 176.9° |
| O4 | C4 | C3 | S3 | 73.0° | 63.3° |
| O4 | C4 | C5 | H5 | 55.9° | 57.5° |
| O4 | C4 | C3 | H3 | 42.9° | 57.0° |
| C5 | C4 | C3 | H4 | 120.0° | 119.9° |
| C4 | C5 | C6 | O5 | 122.1° | 120.0° |
| C4 | C5 | C6 | H5 | 120.1° | 120.0° |
| C4 | C5 | O5 | H5 | 117.1° | 119.9° |
| C4 | C5 | C6 | O6 | 133.7° | 175.0° |
| C4 | C5 | O5 | C1 | 63.4° | 61.1° |
| C5 | C4 | C3 | C2 | 44.3° | 57.0° |
| C5 | C4 | C3 | S3 | 168.2° | 176.8° |
| C5 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C4 | C5 | C6 | H61 | 13.6° | 55.0° |
| C4 | C5 | C6 | H62 | 106.2° | 65.0° |
| C5 | C4 | C3 | H3 | 75.9° | 62.9° |
| C3 | C4 | C5 | C6 | 174.2° | 177.6° |
| C3 | C4 | C5 | O5 | 52.1° | 57.6° |
| C4 | C3 | C2 | C1 | 42.6° | 57.0° |
| C4 | C3 | C2 | O2 | 80.9° | 62.9° |
| C4 | C3 | C2 | S3 | 126.9° | 119.8° |
| C4 | C3 | C2 | H3 | 120.1° | 119.9° |
| C4 | C3 | S3 | H3 | 117.5° | 120.2° |
| C3 | C4 | O4 | HO4 | 58.1° | 60.3° |
| C3 | C4 | C5 | H5 | 65.7° | 62.4° |
| C4 | C3 | C2 | H2 | 160.6° | 176.9° |
| C4 | C3 | S3 | HS3 | 180.0° | 180.0° |
| C6 | C5 | O5 | H5 | 117.1° | 120.1° |
| C5 | C6 | O6 | H61 | 120.1° | 120.0° |
| C5 | C6 | O6 | H62 | 120.1° | 120.0° |
| C6 | C5 | O5 | C1 | 170.8° | 178.8° |
| C6 | C5 | C4 | H4 | 54.3° | 57.6° |
| C5 | C6 | H61 | H62 | 119.7° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 104.2° | 65.1° |
| C5 | O5 | C1 | O1 | 51.8° | 58.8° |
| C5 | O5 | C1 | C2 | 62.6° | 61.2° |
| O5 | C5 | C4 | H4 | 67.8° | 62.4° |
| O5 | C5 | C6 | H61 | 135.7° | 174.9° |
| O5 | C5 | C6 | H62 | 15.9° | 55.0° |
| C5 | O5 | C1 | H1 | 176.2° | 178.8° |
| O6 | C6 | C5 | H5 | 13.6° | 55.0° |
| O6 | C6 | H61 | H62 | 119.6° | 120.0° |
| O5 | C1 | O1 | C2 | 119.1° | 120.0° |
| O5 | C1 | O1 | H1 | 124.1° | 120.1° |
| O5 | C1 | C2 | H1 | 121.9° | 120.0° |
| O5 | C1 | O1 | C1M | 111.5° | 70.0° |
| O5 | C1 | C2 | O2 | 73.7° | 62.3° |
| O5 | C1 | C2 | C3 | 49.5° | 57.6° |
| C1 | O5 | C5 | H5 | 53.6° | 58.8° |
| O5 | C1 | C2 | H2 | 167.4° | 177.6° |
| O1 | C1 | C2 | H1 | 117.9° | 120.0° |
| O1 | C1 | C2 | O2 | 166.0° | 177.7° |
| O1 | C1 | C2 | C3 | 70.7° | 62.4° |
| C1 | O1 | C1M | H51 | 180.0° | 180.0° |
| C1 | O1 | C1M | H52 | 60.0° | 60.0° |
| C1 | O1 | C1M | H53 | 60.0° | 60.0° |
| O1 | C1 | C2 | H2 | 47.1° | 57.6° |
| C2 | C1 | O1 | C1M | 129.5° | 170.0° |
| C1 | C2 | O2 | C3 | 124.3° | 119.7° |
| C1 | C2 | O2 | H2 | 118.1° | 120.2° |
| C1 | C2 | C3 | H2 | 118.0° | 119.9° |
| C1 | C2 | C3 | S3 | 169.5° | 176.8° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 77.5° | 62.9° |
| C1M | O1 | C1 | H1 | 12.6° | 50.1° |
| O1 | C1M | H51 | H52 | 120.0° | 120.0° |
| O1 | C1M | H51 | H53 | 120.0° | 120.0° |
| O1 | C1M | H52 | H53 | 120.0° | 120.0° |
| O2 | C2 | C3 | H2 | 118.5° | 120.1° |
| O2 | C2 | C3 | S3 | 45.9° | 56.9° |
| O2 | C2 | C1 | H1 | 48.1° | 57.7° |
| O2 | C2 | C3 | H3 | 159.0° | 177.2° |
| C2 | C3 | S3 | H3 | 115.0° | 120.3° |
| C2 | C3 | C4 | H4 | 75.7° | 63.0° |
| C3 | C2 | C1 | H1 | 171.4° | 177.7° |
| C3 | C2 | O2 | HO2 | 55.7° | 179.6° |
| C2 | C3 | S3 | HS3 | 52.6° | 60.5° |
| S3 | C3 | C4 | H4 | 48.2° | 56.9° |
| S3 | C3 | C2 | H2 | 72.6° | 63.3° |
| HO4 | O4 | C4 | H4 | 62.3° | 59.9° |
| H4 | C4 | C5 | H5 | 174.4° | 177.7° |
| H4 | C4 | C3 | H3 | 164.1° | 177.2° |
| H5 | C5 | C6 | H61 | 106.5° | 65.0° |
| H5 | C5 | C6 | H62 | 133.7° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.9° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.8° | 60.0° |
| H1 | C1 | C2 | H2 | 70.8° | 62.4° |
| H51 | C1M | H52 | H53 | 120.0° | 120.0° |
| H2 | C2 | O2 | HO2 | 61.9° | 60.2° |
| H2 | C2 | C3 | H3 | 40.5° | 57.0° |
| H3 | C3 | S3 | HS3 | 62.5° | 59.8° |
