YQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.27Å | |
| O13 | C4 | doub | 1.21Å | 1.24Å | |
| C2 | C4 | sing | 1.49Å | 1.53Å | |
| C2 | O3 | sing | 1.35Å | 1.30Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| O11 | C10 | doub | 1.21Å | 1.25Å | |
| C10 | O12 | sing | 1.34Å | 1.26Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| O12 | H11 | sing | 0.97Å | 0.95Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C4 | 118.0° | 120.0° |
| O1 | C2 | O3 | 125.0° | 120.0° |
| O13 | C4 | C2 | 123.0° | 120.0° |
| O13 | C4 | C5 | 121.2° | 120.1° |
| C4 | C2 | O3 | 117.0° | 120.0° |
| C2 | C4 | C5 | 115.9° | 120.0° |
| C2 | O3 | H12 | 109.5° | 117.0° |
| C4 | C5 | C6 | 113.6° | 109.4° |
| C4 | C5 | H1 | 108.4° | 109.5° |
| C4 | C5 | H2 | 108.4° | 109.5° |
| C5 | C6 | C7 | 111.4° | 109.4° |
| C6 | C5 | H1 | 108.4° | 109.5° |
| C6 | C5 | H2 | 108.4° | 109.5° |
| C5 | C6 | H3 | 109.0° | 109.5° |
| C5 | C6 | H4 | 109.0° | 109.5° |
| C6 | C7 | C8 | 112.6° | 109.4° |
| C7 | C6 | H3 | 109.0° | 109.5° |
| C7 | C6 | H4 | 109.0° | 109.4° |
| C6 | C7 | H5 | 108.7° | 109.5° |
| C6 | C7 | H6 | 108.7° | 109.4° |
| C7 | C8 | C9 | 113.8° | 109.4° |
| C8 | C7 | H5 | 108.7° | 109.5° |
| C8 | C7 | H6 | 108.7° | 109.5° |
| C7 | C8 | H7 | 108.4° | 109.5° |
| C7 | C8 | H8 | 108.4° | 109.5° |
| C8 | C9 | C10 | 114.3° | 109.4° |
| C9 | C8 | H7 | 108.4° | 109.5° |
| C9 | C8 | H8 | 108.4° | 109.4° |
| C8 | C9 | H9 | 108.2° | 109.4° |
| C8 | C9 | H10 | 108.2° | 109.5° |
| C9 | C10 | O11 | 116.9° | 120.0° |
| C9 | C10 | O12 | 119.4° | 120.0° |
| C10 | C9 | H9 | 108.3° | 109.5° |
| C10 | C9 | H10 | 108.3° | 109.5° |
| O11 | C10 | O12 | 123.6° | 120.0° |
| C10 | O12 | H11 | 109.5° | 117.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C4 | O13 | 15.0° | 180.0° |
| O1 | C2 | C4 | O3 | 178.7° | 179.9° |
| O1 | C2 | C4 | C5 | 165.2° | 0.1° |
| O1 | C2 | O3 | H12 | 0.0° | 0.1° |
| O13 | C4 | C2 | C5 | 179.8° | 179.9° |
| O13 | C4 | C2 | O3 | 163.8° | 0.1° |
| O13 | C4 | C5 | C6 | 101.9° | 0.0° |
| O13 | C4 | C5 | H1 | 18.7° | 120.0° |
| O13 | C4 | C5 | H2 | 137.5° | 120.0° |
| C2 | C4 | C5 | C6 | 77.9° | 180.0° |
| C2 | C4 | C5 | H1 | 161.5° | 60.1° |
| C2 | C4 | C5 | H2 | 42.6° | 60.0° |
| C4 | C2 | O3 | H12 | 178.6° | 180.0° |
| O3 | C2 | C4 | C5 | 16.1° | 180.0° |
| C4 | C5 | C6 | H1 | 120.6° | 119.9° |
| C4 | C5 | C6 | H2 | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 179.5° | 180.0° |
| C4 | C5 | H1 | H2 | 118.2° | 120.0° |
| C4 | C5 | C6 | H3 | 59.2° | 60.0° |
| C4 | C5 | C6 | H4 | 60.2° | 60.0° |
| C5 | C6 | C7 | H3 | 120.3° | 120.0° |
| C5 | C6 | C7 | H4 | 120.3° | 119.9° |
| C5 | C6 | C7 | C8 | 172.8° | 180.0° |
| C6 | C5 | H1 | H2 | 118.1° | 120.0° |
| C5 | C6 | H3 | H4 | 119.1° | 120.0° |
| C5 | C6 | C7 | H5 | 66.7° | 60.0° |
| C5 | C6 | C7 | H6 | 52.3° | 60.1° |
| C6 | C7 | C8 | H5 | 120.5° | 120.0° |
| C6 | C7 | C8 | H6 | 120.5° | 119.9° |
| C6 | C7 | C8 | C9 | 175.4° | 180.0° |
| C7 | C6 | C5 | H1 | 59.9° | 60.0° |
| C7 | C6 | C5 | H2 | 58.9° | 60.0° |
| C7 | C6 | H3 | H4 | 119.1° | 120.0° |
| C6 | C7 | H5 | H6 | 118.6° | 120.0° |
| C6 | C7 | C8 | H7 | 64.0° | 60.0° |
| C6 | C7 | C8 | H8 | 54.8° | 60.1° |
| C7 | C8 | C9 | H7 | 120.6° | 120.0° |
| C7 | C8 | C9 | H8 | 120.7° | 119.9° |
| C7 | C8 | C9 | C10 | 171.5° | 180.0° |
| C8 | C7 | C6 | H3 | 52.5° | 60.0° |
| C8 | C7 | C6 | H4 | 66.9° | 60.1° |
| C8 | C7 | H5 | H6 | 118.5° | 120.0° |
| C7 | C8 | H7 | H8 | 118.0° | 120.0° |
| C7 | C8 | C9 | H9 | 67.8° | 60.1° |
| C7 | C8 | C9 | H10 | 50.8° | 60.0° |
| C8 | C9 | C10 | H9 | 120.7° | 119.9° |
| C8 | C9 | C10 | H10 | 120.7° | 120.0° |
| C8 | C9 | C10 | O11 | 22.7° | 0.3° |
| C8 | C9 | C10 | O12 | 162.1° | 180.0° |
| C9 | C8 | C7 | H5 | 54.9° | 60.0° |
| C9 | C8 | C7 | H6 | 64.1° | 60.1° |
| C9 | C8 | H7 | H8 | 118.0° | 120.0° |
| C8 | C9 | H9 | H10 | 117.8° | 120.0° |
| C9 | C10 | O11 | O12 | 175.0° | 179.7° |
| C10 | C9 | C8 | H7 | 50.8° | 60.0° |
| C10 | C9 | C8 | H8 | 67.9° | 60.1° |
| C10 | C9 | H9 | H10 | 117.8° | 120.0° |
| C9 | C10 | O12 | H11 | 174.9° | 180.0° |
| O11 | C10 | C9 | H9 | 98.0° | 120.2° |
| O11 | C10 | C9 | H10 | 143.4° | 119.7° |
| O11 | C10 | O12 | H11 | 0.0° | 0.2° |
| O12 | C10 | C9 | H9 | 77.2° | 60.0° |
| O12 | C10 | C9 | H10 | 41.4° | 60.0° |
| H1 | C5 | C6 | H3 | 179.8° | 180.0° |
| H1 | C5 | C6 | H4 | 60.4° | 59.9° |
| H2 | C5 | C6 | H3 | 61.4° | 60.0° |
| H2 | C5 | C6 | H4 | 179.2° | 180.0° |
| H3 | C6 | C7 | H5 | 172.9° | 180.0° |
| H3 | C6 | C7 | H6 | 68.0° | 60.0° |
| H4 | C6 | C7 | H5 | 53.5° | 60.0° |
| H4 | C6 | C7 | H6 | 172.6° | 180.0° |
| H5 | C7 | C8 | H7 | 175.5° | NaN° |
| H5 | C7 | C8 | H8 | 65.7° | 60.0° |
| H6 | C7 | C8 | H7 | 56.5° | 60.0° |
| H6 | C7 | C8 | H8 | 175.2° | 180.0° |
| H7 | C8 | C9 | H9 | 171.6° | 60.0° |
| H7 | C8 | C9 | H10 | 69.9° | 180.0° |
| H8 | C8 | C9 | H9 | 52.8° | 180.0° |
| H8 | C8 | C9 | H10 | 171.4° | 60.0° |
