YBX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | S1 | sing | 1.81Å | 1.80Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | S1 | sing | 1.81Å | 1.80Å | |
| C5 | O1 | doub | 1.21Å | 1.24Å | |
| C5 | O2 | sing | 1.34Å | 1.32Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | S1 | 111.3° | 109.5° |
| C8 | C7 | H3 | 109.0° | 109.5° |
| C8 | C7 | H4 | 109.0° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.4° | 109.4° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | S1 | C6 | 104.5° | 103.0° |
| S1 | C7 | H3 | 109.0° | 109.5° |
| S1 | C7 | H4 | 109.0° | 109.4° |
| C5 | C6 | S1 | 108.1° | 109.5° |
| C6 | C5 | O1 | 122.6° | 120.0° |
| C6 | C5 | O2 | 112.4° | 120.0° |
| C5 | C6 | H1 | 109.8° | 109.4° |
| C5 | C6 | H2 | 109.8° | 109.4° |
| S1 | C6 | H1 | 109.8° | 109.5° |
| S1 | C6 | H2 | 109.8° | 109.5° |
| O1 | C5 | O2 | 125.0° | 120.0° |
| C5 | O2 | H8 | 109.5° | 117.0° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | S1 | H3 | 120.2° | 120.1° |
| C8 | C7 | S1 | H4 | 120.3° | 120.0° |
| C8 | C7 | S1 | C6 | 48.4° | 180.0° |
| C8 | C7 | H3 | H4 | 119.2° | 120.0° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| C7 | C8 | H5 | H7 | 120.0° | 120.0° |
| C7 | C8 | H6 | H7 | 120.0° | 120.0° |
| C7 | S1 | C6 | C5 | 123.8° | 180.0° |
| C7 | S1 | C6 | H1 | 116.4° | 60.0° |
| C7 | S1 | C6 | H2 | 4.1° | 60.1° |
| S1 | C7 | H3 | H4 | 119.2° | 119.9° |
| S1 | C7 | C8 | H5 | 180.0° | 60.0° |
| S1 | C7 | C8 | H6 | 60.0° | 60.0° |
| S1 | C7 | C8 | H7 | 60.0° | 180.0° |
| C5 | C6 | S1 | H1 | 119.8° | 120.0° |
| C5 | C6 | S1 | H2 | 119.8° | 120.0° |
| C6 | C5 | O1 | O2 | 177.5° | 179.7° |
| C5 | C6 | H1 | H2 | 120.6° | 119.9° |
| C6 | C5 | O2 | H8 | 177.7° | 179.7° |
| S1 | C6 | C5 | O1 | 22.0° | 0.0° |
| S1 | C6 | C5 | O2 | 155.7° | 179.7° |
| S1 | C6 | H1 | H2 | 120.7° | 120.1° |
| C6 | S1 | C7 | H3 | 71.8° | 60.0° |
| C6 | S1 | C7 | H4 | 168.7° | 60.0° |
| O1 | C5 | C6 | H1 | 97.8° | 120.0° |
| O1 | C5 | C6 | H2 | 141.8° | 120.0° |
| O1 | C5 | O2 | H8 | 0.0° | 0.0° |
| O2 | C5 | C6 | H1 | 84.5° | 59.7° |
| O2 | C5 | C6 | H2 | 36.0° | 60.3° |
| H3 | C7 | C8 | H5 | 59.8° | 180.0° |
| H3 | C7 | C8 | H6 | 60.3° | 60.0° |
| H3 | C7 | C8 | H7 | 179.8° | 60.0° |
| H4 | C7 | C8 | H5 | 59.7° | 60.0° |
| H4 | C7 | C8 | H6 | 179.7° | 180.0° |
| H4 | C7 | C8 | H7 | 60.3° | 60.1° |
| H5 | C8 | H6 | H7 | 120.0° | 120.1° |
