MMQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C1P | sing | 1.81Å | 1.82Å | |
| S1 | HS1 | sing | 1.34Å | 1.30Å | |
| P | O1P | doub | 1.57Å | 1.54Å | |
| P | O2P | sing | 1.57Å | 1.53Å | |
| P | O3P | sing | 1.57Å | 1.46Å | |
| P | C1P | sing | 1.82Å | 1.82Å | |
| C1P | HC11 | sing | 1.09Å | 1.10Å | |
| C1P | HC12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1P | S1 | HS1 | 109.5° | 100.0° |
| S1 | C1P | P | 108.4° | 109.5° |
| S1 | C1P | HC11 | 110.1° | 109.5° |
| S1 | C1P | HC12 | 109.9° | 109.5° |
| O1P | P | O2P | 109.6° | 109.5° |
| O1P | P | O3P | 109.6° | 109.5° |
| O1P | P | C1P | 107.8° | 109.5° |
| O2P | P | O3P | 112.0° | 109.5° |
| O2P | P | C1P | 106.8° | 109.5° |
| O3P | P | C1P | 111.0° | 109.5° |
| P | C1P | HC11 | 110.1° | 109.4° |
| P | C1P | HC12 | 109.8° | 109.4° |
| HC11 | C1P | HC12 | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C1P | P | O1P | 123.8° | 60.0° |
| S1 | C1P | P | O2P | 118.5° | 180.0° |
| S1 | C1P | P | O3P | 3.8° | 60.0° |
| S1 | C1P | P | HC11 | 120.4° | 120.0° |
| S1 | C1P | P | HC12 | 120.0° | 120.0° |
| S1 | C1P | HC11 | HC12 | 120.3° | 120.1° |
| HS1 | S1 | C1P | P | 25.1° | 180.0° |
| HS1 | S1 | C1P | HC11 | 95.4° | 60.0° |
| HS1 | S1 | C1P | HC12 | 145.1° | 60.0° |
| O1P | P | O2P | O3P | 121.8° | 120.0° |
| O1P | P | O2P | C1P | 116.5° | 120.0° |
| O1P | P | O3P | C1P | 118.9° | 120.0° |
| O1P | P | C1P | HC11 | 3.4° | 180.0° |
| O1P | P | C1P | HC12 | 116.2° | 60.0° |
| O2P | P | O3P | C1P | 119.3° | 120.0° |
| O2P | P | C1P | HC11 | 121.0° | 60.0° |
| O2P | P | C1P | HC12 | 1.5° | 60.0° |
| O3P | P | C1P | HC11 | 116.6° | 60.0° |
| O3P | P | C1P | HC12 | 123.8° | 180.0° |
| P | C1P | HC11 | HC12 | 120.3° | 119.9° |
