YCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O1 | sing | 1.45Å | 1.41Å | |
| C | C1 | sing | 1.55Å | 1.44Å | |
| O1 | B | sing | 1.43Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.60Å | |
| C2 | O3 | sing | 1.43Å | 1.40Å | |
| O2 | B | sing | 1.42Å | 1.36Å | |
| C1 | O | sing | 1.44Å | 1.37Å | |
| B | O | sing | 1.42Å | 1.44Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C | C1 | 108.5° | 101.6° |
| C | O1 | B | 104.2° | 104.9° |
| O1 | C | HC3 | 109.7° | 111.0° |
| O1 | C | HC2 | 109.7° | 111.0° |
| C | C1 | C2 | 110.6° | 110.9° |
| C | C1 | O | 109.2° | 103.0° |
| C | C1 | H11 | 109.3° | 110.7° |
| C1 | C | HC3 | 109.7° | 111.0° |
| C1 | C | HC2 | 109.7° | 111.0° |
| O1 | B | O2 | 111.2° | 125.5° |
| O1 | B | O | 106.7° | 109.1° |
| C1 | C2 | O3 | 109.6° | 109.5° |
| C2 | C1 | O | 110.1° | 110.7° |
| C2 | C1 | H11 | 107.3° | 110.6° |
| C1 | C2 | H22 | 109.5° | 109.4° |
| C1 | C2 | H23 | 109.4° | 109.5° |
| O3 | C2 | H22 | 109.5° | 109.5° |
| O3 | C2 | H23 | 109.4° | 109.5° |
| C2 | O3 | H31 | 109.5° | 114.0° |
| O2 | B | O | 111.9° | 125.5° |
| B | O2 | H21 | 109.5° | 114.0° |
| C1 | O | B | 108.1° | 107.4° |
| O | C1 | H11 | 110.3° | 110.7° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| HC3 | C | HC2 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C | C1 | HC3 | 119.9° | 118.1° |
| O1 | C | C1 | HC2 | 119.8° | 118.0° |
| O1 | C | C1 | C2 | 140.4° | 153.5° |
| C | O1 | B | O2 | 112.4° | 155.2° |
| O1 | C | C1 | O | 19.0° | 35.1° |
| C | O1 | B | O | 9.8° | 24.7° |
| O1 | C | C1 | H11 | 101.7° | 83.3° |
| O1 | C | HC3 | HC2 | 120.5° | 123.9° |
| C1 | C | O1 | B | 17.0° | 36.0° |
| C | C1 | C2 | O | 120.8° | 113.6° |
| C | C1 | C2 | H11 | 119.1° | 123.3° |
| C | C1 | C2 | O3 | 160.7° | 180.0° |
| C | C1 | O | H11 | 120.1° | 118.4° |
| C | C1 | O | B | 12.1° | 20.9° |
| C | C1 | C2 | H22 | 40.6° | 60.0° |
| C | C1 | C2 | H23 | 79.3° | 59.9° |
| C1 | C | HC3 | HC2 | 120.4° | 123.9° |
| O1 | B | O2 | O | 119.1° | 179.9° |
| O1 | B | O | C1 | 1.4° | 1.2° |
| O1 | B | O2 | H21 | 0.0° | 0.0° |
| B | O1 | C | HC3 | 102.8° | 154.1° |
| B | O1 | C | HC2 | 136.8° | 82.0° |
| C1 | C2 | O3 | H22 | 120.0° | 120.0° |
| C1 | C2 | O3 | H23 | 120.0° | 120.0° |
| C2 | C1 | O | H11 | 118.2° | 123.0° |
| C2 | C1 | O | B | 133.8° | 139.5° |
| C1 | C2 | H22 | H23 | 119.9° | 120.0° |
| C1 | C2 | O3 | H31 | 180.0° | 180.0° |
| C2 | C1 | C | HC3 | 20.5° | 88.4° |
| C2 | C1 | C | HC2 | 99.8° | 35.5° |
| O3 | C2 | C1 | O | 39.8° | 66.4° |
| O3 | C2 | C1 | H11 | 80.2° | 56.7° |
| O3 | C2 | H22 | H23 | 120.0° | 120.0° |
| O2 | B | O | C1 | 123.2° | 178.7° |
| O | C1 | C2 | H22 | 80.2° | 53.6° |
| O | C1 | C2 | H23 | 159.9° | 173.6° |
| O | C1 | C | HC3 | 100.9° | 153.2° |
| O | C1 | C | HC2 | 138.8° | 83.0° |
| B | O | C1 | H11 | 108.0° | 97.5° |
| O | B | O2 | H21 | 119.2° | 180.0° |
| H11 | C1 | C2 | H22 | 159.8° | 176.7° |
| H11 | C1 | C2 | H23 | 39.8° | 63.3° |
| H11 | C1 | C | HC3 | 138.4° | 34.8° |
| H11 | C1 | C | HC2 | 18.1° | 158.7° |
| H22 | C2 | O3 | H31 | 60.0° | 60.1° |
| H23 | C2 | O3 | H31 | 60.0° | 60.0° |
