Y1H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.43Å | 1.43Å | |
| O12 | C13 | sing | 1.43Å | 1.44Å | |
| C11 | O10 | sing | 1.43Å | 1.40Å | |
| C13 | C08 | sing | 1.51Å | 1.54Å | |
| O10 | C09 | sing | 1.36Å | 1.39Å | |
| C08 | C09 | doub | 1.39Å | 1.33Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| C09 | C03 | sing | 1.39Å | 1.43Å | Aromatic |
| C07 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | F06 | sing | 1.35Å | 1.37Å | |
| C02 | O01 | sing | 1.43Å | 1.39Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| O01 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O12 | C13 | 110.7° | 113.0° |
| O12 | C11 | O10 | 111.7° | 108.6° |
| O12 | C11 | H7 | 108.9° | 109.6° |
| O12 | C11 | H8 | 108.9° | 109.8° |
| O12 | C13 | C08 | 109.7° | 109.4° |
| O12 | C13 | H1 | 109.4° | 109.5° |
| O12 | C13 | H2 | 109.4° | 109.5° |
| C11 | O10 | C09 | 115.0° | 116.9° |
| O10 | C11 | H7 | 108.9° | 109.6° |
| O10 | C11 | H8 | 108.9° | 109.6° |
| C13 | C08 | C09 | 120.5° | 120.4° |
| C13 | C08 | C07 | 119.1° | 119.7° |
| C08 | C13 | H1 | 109.4° | 109.5° |
| C08 | C13 | H2 | 109.4° | 109.5° |
| O10 | C09 | C08 | 121.6° | 120.6° |
| O10 | C09 | C03 | 118.5° | 119.5° |
| C09 | C08 | C07 | 120.5° | 119.9° |
| C08 | C09 | C03 | 120.0° | 119.9° |
| C08 | C07 | C05 | 119.9° | 120.1° |
| C08 | C07 | H6 | 120.1° | 119.9° |
| C09 | C03 | C02 | 117.6° | 120.0° |
| C09 | C03 | C04 | 119.7° | 120.0° |
| C07 | C05 | C04 | 120.1° | 120.0° |
| C07 | C05 | F06 | 118.1° | 120.0° |
| C05 | C07 | H6 | 120.0° | 120.0° |
| C02 | C03 | C04 | 122.7° | 120.0° |
| C03 | C02 | O01 | 112.1° | 109.5° |
| C03 | C02 | H3 | 108.8° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.5° |
| C03 | C04 | C05 | 119.9° | 120.0° |
| C03 | C04 | H5 | 120.0° | 120.0° |
| C04 | C05 | F06 | 121.8° | 120.0° |
| C05 | C04 | H5 | 120.1° | 120.0° |
| O01 | C02 | H3 | 108.8° | 109.4° |
| O01 | C02 | H4 | 108.8° | 109.5° |
| C02 | O01 | H9 | 109.5° | 114.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C02 | H4 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | O10 | H7 | 120.3° | 119.6° |
| O12 | C11 | O10 | H8 | 120.3° | 119.9° |
| C11 | O12 | C13 | C08 | 46.9° | 48.6° |
| O12 | C11 | O10 | C09 | 48.0° | 47.5° |
| C11 | O12 | C13 | H1 | 73.1° | 71.4° |
| C11 | O12 | C13 | H2 | 167.0° | 168.6° |
| O12 | C11 | H7 | H8 | 119.0° | 120.6° |
| C13 | O12 | C11 | O10 | 65.5° | 65.5° |
| O12 | C13 | C08 | H1 | 120.0° | 120.0° |
| O12 | C13 | C08 | H2 | 120.0° | 120.0° |
| O12 | C13 | C08 | C09 | 16.2° | 16.0° |
| O12 | C13 | C08 | C07 | 164.2° | 164.0° |
| O12 | C13 | H1 | H2 | 119.9° | 120.1° |
| C13 | O12 | C11 | H7 | 174.2° | 174.9° |
| C13 | O12 | C11 | H8 | 54.8° | 54.4° |
| C11 | O10 | C09 | C08 | 15.6° | 16.7° |
| C11 | O10 | C09 | C03 | 164.4° | 163.5° |
| O10 | C11 | H7 | H8 | 119.0° | 120.4° |
| C13 | C08 | C09 | O10 | 0.0° | 0.4° |
| C13 | C08 | C09 | C07 | 179.6° | 180.0° |
| C13 | C08 | C09 | C03 | 180.0° | 179.8° |
| C13 | C08 | C07 | C05 | 180.0° | 179.8° |
| C08 | C13 | H1 | H2 | 119.9° | 120.0° |
| C13 | C08 | C07 | H6 | 0.1° | 0.1° |
| O10 | C09 | C08 | C03 | 180.0° | 179.8° |
| O10 | C09 | C08 | C07 | 179.6° | 179.7° |
| O10 | C09 | C03 | C02 | 1.6° | 0.2° |
| O10 | C09 | C03 | C04 | 180.0° | 179.7° |
| C09 | O10 | C11 | H7 | 168.4° | 167.2° |
| C09 | O10 | C11 | H8 | 72.3° | 72.4° |
| C09 | C08 | C07 | C05 | 0.3° | 0.1° |
| C08 | C09 | C03 | C02 | 178.4° | 179.9° |
| C08 | C09 | C03 | C04 | 0.0° | 0.2° |
| C09 | C08 | C13 | H1 | 103.9° | 103.9° |
| C09 | C08 | C13 | H2 | 136.2° | 136.1° |
| C09 | C08 | C07 | H6 | 179.7° | 180.0° |
| C07 | C08 | C09 | C03 | 0.4° | 0.2° |
| C08 | C07 | C05 | H6 | 180.0° | 179.9° |
| C08 | C07 | C05 | C04 | 0.2° | 0.1° |
| C08 | C07 | C05 | F06 | 179.7° | 180.0° |
| C07 | C08 | C13 | H1 | 75.7° | 76.0° |
| C07 | C08 | C13 | H2 | 44.2° | 44.0° |
| C09 | C03 | C02 | C04 | 178.3° | 179.9° |
| C09 | C03 | C04 | C05 | 0.5° | 0.1° |
| C09 | C03 | C02 | O01 | 121.6° | 179.9° |
| C09 | C03 | C02 | H3 | 118.0° | 60.1° |
| C09 | C03 | C02 | H4 | 1.2° | 59.9° |
| C09 | C03 | C04 | H5 | 179.5° | 180.0° |
| C07 | C05 | C04 | C03 | 0.6° | 0.1° |
| C07 | C05 | C04 | F06 | 179.5° | 179.9° |
| C07 | C05 | C04 | H5 | 179.4° | 180.0° |
| C02 | C03 | C04 | C05 | 178.8° | 180.0° |
| C03 | C02 | O01 | H3 | 120.4° | 120.0° |
| C03 | C02 | O01 | H4 | 120.4° | 120.0° |
| C03 | C02 | H3 | H4 | 118.8° | 120.0° |
| C02 | C03 | C04 | H5 | 1.2° | 0.1° |
| C03 | C02 | O01 | H9 | 180.0° | 180.0° |
| C03 | C04 | C05 | H5 | 180.0° | 179.9° |
| C03 | C04 | C05 | F06 | 179.9° | 180.0° |
| C04 | C03 | C02 | O01 | 60.0° | 0.0° |
| C04 | C03 | C02 | H3 | 60.4° | 120.0° |
| C04 | C03 | C02 | H4 | 179.5° | 119.9° |
| C04 | C05 | C07 | H6 | 179.8° | 180.0° |
| F06 | C05 | C04 | H5 | 0.1° | 0.1° |
| F06 | C05 | C07 | H6 | 0.3° | 0.1° |
| O01 | C02 | H3 | H4 | 118.8° | 120.0° |
| H3 | C02 | O01 | H9 | 59.6° | 60.0° |
| H4 | C02 | O01 | H9 | 59.6° | 60.0° |
