YEF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.27Å | |
| O03 | C02 | sing | 1.34Å | 1.26Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.40Å | |
| O09 | C08 | sing | 1.36Å | 1.41Å | |
| C11 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.62Å | |
| C13 | C04 | sing | 1.53Å | 1.48Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| O15 | C14 | sing | 1.43Å | 1.49Å | |
| C16 | O15 | sing | 1.43Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C04 | C17 | sing | 1.53Å | 1.50Å | |
| C05 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 120.5° | 120.0° |
| O01 | C02 | C04 | 120.4° | 120.0° |
| O03 | C02 | C04 | 119.1° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C02 | C04 | C05 | 105.5° | 109.6° |
| C02 | C04 | C13 | 106.1° | 109.6° |
| C02 | C04 | C17 | 112.4° | 109.5° |
| C05 | C06 | C07 | 120.4° | 120.1° |
| C06 | C05 | C04 | 118.5° | 120.0° |
| C06 | C05 | C12 | 118.6° | 120.1° |
| C05 | C06 | H061 | 119.8° | 119.9° |
| C06 | C07 | C08 | 121.3° | 120.0° |
| C07 | C06 | H061 | 119.8° | 120.0° |
| C06 | C07 | H071 | 119.3° | 120.0° |
| C07 | C08 | O09 | 116.9° | 120.1° |
| C07 | C08 | C11 | 118.9° | 119.9° |
| C08 | C07 | H071 | 119.4° | 120.0° |
| C10 | O09 | C08 | 118.3° | 117.0° |
| O09 | C10 | H102 | 109.5° | 109.5° |
| O09 | C10 | H101 | 109.5° | 109.4° |
| O09 | C10 | H103 | 109.5° | 109.4° |
| O09 | C08 | C11 | 124.2° | 120.0° |
| C08 | C11 | C12 | 120.0° | 119.9° |
| C08 | C11 | H111 | 120.0° | 120.0° |
| C11 | C12 | C05 | 120.7° | 120.1° |
| C12 | C11 | H111 | 120.0° | 120.0° |
| C11 | C12 | H121 | 119.6° | 120.0° |
| C05 | C04 | C13 | 112.6° | 109.5° |
| C05 | C04 | C17 | 109.6° | 109.6° |
| C04 | C05 | C12 | 122.9° | 119.9° |
| C04 | C13 | C14 | 112.4° | 109.2° |
| C13 | C04 | C17 | 110.5° | 109.0° |
| C04 | C13 | H131 | 108.7° | 109.5° |
| C04 | C13 | H132 | 108.7° | 109.5° |
| C13 | C14 | O15 | 113.5° | 109.4° |
| C14 | C13 | H131 | 108.7° | 109.5° |
| C14 | C13 | H132 | 108.7° | 109.6° |
| C13 | C14 | H141 | 108.5° | 109.5° |
| C13 | C14 | H142 | 108.5° | 109.5° |
| C14 | O15 | C16 | 113.5° | 114.1° |
| O15 | C14 | H141 | 108.4° | 109.5° |
| O15 | C14 | H142 | 108.4° | 109.5° |
| O15 | C16 | C17 | 114.2° | 109.4° |
| O15 | C16 | H161 | 108.3° | 109.4° |
| O15 | C16 | H162 | 108.3° | 109.5° |
| C16 | C17 | C04 | 115.2° | 109.2° |
| C16 | C17 | H171 | 108.0° | 109.5° |
| C16 | C17 | H172 | 108.0° | 109.5° |
| C17 | C16 | H161 | 108.2° | 109.5° |
| C17 | C16 | H162 | 108.3° | 109.5° |
| C04 | C17 | H171 | 108.0° | 109.5° |
| C04 | C17 | H172 | 108.0° | 109.5° |
| C05 | C12 | H121 | 119.6° | 120.0° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.4° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.6° |
| H161 | C16 | H162 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O03 | C04 | 179.6° | 180.0° |
| O01 | C02 | C04 | C05 | 88.5° | 120.2° |
| O01 | C02 | C04 | C13 | 31.1° | 0.0° |
| O01 | C02 | C04 | C17 | 152.1° | 119.5° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| O03 | C02 | C04 | C05 | 91.0° | 59.8° |
| O03 | C02 | C04 | C13 | 149.3° | 180.0° |
| O03 | C02 | C04 | C17 | 28.3° | 60.4° |
| C02 | C04 | C05 | C06 | 67.3° | 120.4° |
| C02 | C04 | C05 | C13 | 115.3° | 120.2° |
| C02 | C04 | C05 | C17 | 121.2° | 120.2° |
| C02 | C04 | C13 | C17 | 122.1° | 119.9° |
| C02 | C04 | C13 | C14 | 68.9° | 62.9° |
| C02 | C04 | C17 | C16 | 68.5° | 62.9° |
| C02 | C04 | C05 | C12 | 110.9° | 59.8° |
| C02 | C04 | C13 | H131 | 170.7° | 177.2° |
| C02 | C04 | C13 | H132 | 51.5° | 57.1° |
| C02 | C04 | C17 | H171 | 170.7° | 57.0° |
| C02 | C04 | C17 | H172 | 52.3° | 177.1° |
| C04 | C02 | O03 | H1 | 179.6° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.9° | 0.0° |
| C06 | C05 | C12 | C11 | 1.0° | 0.5° |
| C06 | C05 | C04 | C12 | 178.3° | 179.8° |
| C06 | C05 | C04 | C13 | 48.0° | 0.2° |
| C06 | C05 | C04 | C17 | 171.5° | 119.4° |
| C05 | C06 | C07 | H071 | 179.1° | 180.0° |
| C06 | C05 | C12 | H121 | 179.0° | 179.8° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | O09 | 180.0° | 180.0° |
| C06 | C07 | C08 | C11 | 0.5° | 0.1° |
| C07 | C06 | C05 | C04 | 179.5° | 180.0° |
| C07 | C06 | C05 | C12 | 1.2° | 0.3° |
| C07 | C08 | O09 | C10 | 172.3° | 180.0° |
| C07 | C08 | O09 | C11 | 179.5° | 179.9° |
| C07 | C08 | C11 | C12 | 0.3° | 0.3° |
| C08 | C07 | C06 | H061 | 179.1° | 180.0° |
| C07 | C08 | C11 | H111 | 179.7° | 180.0° |
| C10 | O09 | C08 | C11 | 8.1° | 0.1° |
| O09 | C10 | H102 | H101 | 120.0° | 120.0° |
| O09 | C10 | H102 | H103 | 120.0° | 120.0° |
| O09 | C10 | H101 | H103 | 120.0° | 119.9° |
| O09 | C08 | C11 | C12 | 179.8° | 179.8° |
| C08 | O09 | C10 | H102 | 180.0° | 60.0° |
| C08 | O09 | C10 | H101 | 60.0° | 60.0° |
| C08 | O09 | C10 | H103 | 60.0° | 180.0° |
| O09 | C08 | C07 | H071 | 0.0° | 0.1° |
| O09 | C08 | C11 | H111 | 0.2° | 0.1° |
| C08 | C11 | C12 | H111 | 180.0° | 179.7° |
| C08 | C11 | C12 | C05 | 0.6° | 0.5° |
| C11 | C08 | C07 | H071 | 179.5° | 180.0° |
| C08 | C11 | C12 | H121 | 179.4° | 179.8° |
| C11 | C12 | C05 | C04 | 179.3° | 179.7° |
| C11 | C12 | C05 | H121 | 180.0° | 179.7° |
| C05 | C04 | C13 | C17 | 123.0° | 119.9° |
| C05 | C04 | C13 | C14 | 176.2° | 176.9° |
| C05 | C04 | C17 | C16 | 174.6° | 176.9° |
| C05 | C04 | C13 | H131 | 55.8° | 57.0° |
| C05 | C04 | C13 | H132 | 63.4° | 63.1° |
| C05 | C04 | C17 | H171 | 53.8° | 63.2° |
| C05 | C04 | C17 | H172 | 64.6° | 56.9° |
| C04 | C05 | C06 | H061 | 0.5° | 0.0° |
| C04 | C05 | C12 | H121 | 0.7° | 0.0° |
| C04 | C13 | C14 | H131 | 120.4° | 120.0° |
| C04 | C13 | C14 | H132 | 120.4° | 120.0° |
| C04 | C13 | C14 | O15 | 53.9° | 57.6° |
| C13 | C04 | C17 | C16 | 49.9° | 57.0° |
| C13 | C04 | C05 | C12 | 133.7° | 180.0° |
| C04 | C13 | H131 | H132 | 118.7° | 120.1° |
| C13 | C04 | C17 | H171 | 70.9° | 176.9° |
| C13 | C04 | C17 | H172 | 170.7° | 63.0° |
| C04 | C13 | C14 | H141 | 174.4° | 177.6° |
| C04 | C13 | C14 | H142 | 66.7° | 62.3° |
| C13 | C14 | O15 | H141 | 120.6° | 120.0° |
| C13 | C14 | O15 | H142 | 120.6° | 119.9° |
| C13 | C14 | O15 | C16 | 48.2° | 61.1° |
| C14 | C13 | C04 | C17 | 53.2° | 57.0° |
| C14 | C13 | H131 | H132 | 118.7° | 120.1° |
| C13 | C14 | H141 | H142 | 118.2° | 120.0° |
| C14 | O15 | C16 | C17 | 43.9° | 61.1° |
| O15 | C14 | C13 | H131 | 66.5° | 62.3° |
| O15 | C14 | C13 | H132 | 174.3° | 177.6° |
| O15 | C14 | H141 | H142 | 118.2° | 120.0° |
| C14 | O15 | C16 | H161 | 164.6° | 58.9° |
| C14 | O15 | C16 | H162 | 76.8° | 178.8° |
| O15 | C16 | C17 | H161 | 120.7° | 120.0° |
| O15 | C16 | C17 | H162 | 120.7° | 120.0° |
| O15 | C16 | C17 | C04 | 45.6° | 57.6° |
| O15 | C16 | C17 | H171 | 75.3° | 177.5° |
| O15 | C16 | C17 | H172 | 166.4° | 62.4° |
| C16 | O15 | C14 | H141 | 168.8° | 178.9° |
| C16 | O15 | C14 | H142 | 72.4° | 58.8° |
| O15 | C16 | H161 | H162 | 117.8° | 120.0° |
| C16 | C17 | C04 | H171 | 120.8° | 119.9° |
| C16 | C17 | C04 | H172 | 120.8° | 120.0° |
| C16 | C17 | H171 | H172 | 117.4° | 120.1° |
| C17 | C16 | H161 | H162 | 117.8° | 120.1° |
| C17 | C04 | C05 | C12 | 10.3° | 60.4° |
| C17 | C04 | C13 | H131 | 67.2° | 62.9° |
| C17 | C04 | C13 | H132 | 173.6° | 177.0° |
| C04 | C17 | H171 | H172 | 117.4° | 120.1° |
| C04 | C17 | C16 | H161 | 166.3° | 62.4° |
| C04 | C17 | C16 | H162 | 75.1° | 177.6° |
| C12 | C05 | C06 | H061 | 178.8° | 179.8° |
| C05 | C12 | C11 | H111 | 179.4° | 179.8° |
| H102 | C10 | H101 | H103 | 120.0° | 120.1° |
| H131 | C13 | C14 | H141 | 54.0° | 57.6° |
| H131 | C13 | C14 | H142 | 172.9° | 177.7° |
| H132 | C13 | C14 | H141 | 65.1° | 62.4° |
| H132 | C13 | C14 | H142 | 53.7° | 57.7° |
| H171 | C17 | C16 | H161 | 45.4° | 57.6° |
| H171 | C17 | C16 | H162 | 164.0° | 62.5° |
| H172 | C17 | C16 | H161 | 72.9° | 177.7° |
| H172 | C17 | C16 | H162 | 45.7° | 57.6° |
| H061 | C06 | C07 | H071 | 0.9° | 0.0° |
| H111 | C11 | C12 | H121 | 0.6° | 0.1° |
