YRQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | P1 | doub | 1.48Å | 1.53Å | |
| O2 | P1 | sing | 1.61Å | 1.55Å | |
| P1 | O3 | sing | 1.61Å | 1.52Å | |
| P1 | C2 | sing | 1.82Å | 1.75Å | |
| O1 | C3 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | P1 | O2 | 110.1° | 109.5° |
| O4 | P1 | O3 | 113.5° | 109.4° |
| O4 | P1 | C2 | 99.7° | 109.5° |
| O2 | P1 | O3 | 111.3° | 109.4° |
| O2 | P1 | C2 | 110.2° | 109.5° |
| P1 | O2 | H8 | 109.5° | 114.0° |
| O3 | P1 | C2 | 111.4° | 109.5° |
| P1 | O3 | H9 | 109.5° | 114.0° |
| P1 | C2 | C3 | 119.9° | 109.5° |
| P1 | C2 | C1 | 130.2° | 109.4° |
| P1 | C2 | H5 | 95.6° | 109.5° |
| O1 | C3 | C2 | 97.6° | 109.5° |
| C3 | O1 | H4 | 109.5° | 114.0° |
| O1 | C3 | H6 | 112.3° | 109.5° |
| O1 | C3 | H7 | 112.4° | 109.5° |
| C3 | C2 | C1 | 106.4° | 109.5° |
| C3 | C2 | H5 | 96.6° | 109.4° |
| C2 | C3 | H6 | 112.4° | 109.5° |
| C2 | C3 | H7 | 112.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H5 | 96.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | P1 | O2 | O3 | 126.8° | 120.0° |
| O4 | P1 | O2 | C2 | 109.1° | 120.0° |
| O4 | P1 | O3 | C2 | 111.6° | 120.0° |
| O4 | P1 | C2 | C3 | 110.7° | 60.0° |
| O4 | P1 | C2 | C1 | 44.9° | 60.0° |
| O4 | P1 | C2 | H5 | 148.4° | 180.0° |
| O4 | P1 | O2 | H8 | 0.0° | 59.9° |
| O4 | P1 | O3 | H9 | 0.0° | 180.0° |
| O2 | P1 | O3 | C2 | 123.5° | 120.0° |
| O2 | P1 | C2 | C3 | 5.1° | 180.0° |
| O2 | P1 | C2 | C1 | 160.7° | 60.0° |
| O2 | P1 | C2 | H5 | 95.8° | 60.0° |
| O2 | P1 | O3 | H9 | 124.9° | 60.0° |
| O3 | P1 | C2 | C3 | 129.2° | 60.0° |
| O3 | P1 | C2 | C1 | 75.2° | 180.0° |
| O3 | P1 | C2 | H5 | 28.2° | 60.0° |
| O3 | P1 | O2 | H8 | 126.8° | 60.0° |
| P1 | C2 | C3 | O1 | 87.0° | 175.0° |
| P1 | C2 | C3 | C1 | 160.8° | 120.0° |
| P1 | C2 | C3 | H5 | 100.4° | 120.0° |
| P1 | C2 | C1 | H5 | 103.1° | 120.0° |
| P1 | C2 | C1 | H1 | 180.0° | 60.0° |
| P1 | C2 | C1 | H2 | 60.0° | 180.0° |
| P1 | C2 | C1 | H3 | 60.0° | 60.0° |
| P1 | C2 | C3 | H6 | 155.0° | 65.0° |
| P1 | C2 | C3 | H7 | 31.0° | 55.0° |
| C2 | P1 | O2 | H8 | 109.0° | 180.0° |
| C2 | P1 | O3 | H9 | 111.6° | 60.0° |
| O1 | C3 | C2 | H6 | 118.0° | 120.0° |
| O1 | C3 | C2 | H7 | 118.0° | 120.0° |
| O1 | C3 | C2 | C1 | 73.8° | 55.0° |
| O1 | C3 | C2 | H5 | 172.6° | 65.0° |
| O1 | C3 | H6 | H7 | 125.6° | 120.0° |
| C3 | C2 | C1 | H5 | 98.9° | 120.0° |
| C3 | C2 | C1 | H1 | 21.9° | 60.0° |
| C3 | C2 | C1 | H2 | 141.9° | 60.0° |
| C3 | C2 | C1 | H3 | 98.1° | 180.0° |
| C2 | C3 | O1 | H4 | 180.0° | 180.0° |
| C2 | C3 | H6 | H7 | 125.5° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 44.2° | 175.0° |
| C1 | C2 | C3 | H7 | 168.2° | 65.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H5 | 76.9° | 180.0° |
| H2 | C1 | C2 | H5 | 43.1° | 60.0° |
| H3 | C1 | C2 | H5 | 163.0° | 60.0° |
| H4 | O1 | C3 | H6 | 62.0° | 60.0° |
| H4 | O1 | C3 | H7 | 62.0° | 60.0° |
| H5 | C2 | C3 | H6 | 54.6° | 55.0° |
| H5 | C2 | C3 | H7 | 69.4° | 175.0° |
