LY2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C15 | sing | 1.47Å | 1.50Å | |
| N14 | C19 | sing | 1.47Å | 1.50Å | |
| N14 | C11 | sing | 1.37Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C11 | O12 | sing | 1.34Å | 1.42Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | O17 | sing | 1.43Å | 1.46Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| O17 | C18 | sing | 1.43Å | 1.46Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | doub | 1.39Å | 1.44Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.45Å | Aromatic |
| C3 | C9 | sing | 1.48Å | 1.55Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.45Å | Aromatic |
| C4 | O12 | sing | 1.35Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.53Å | Aromatic |
| C9 | O13 | doub | 1.22Å | 1.23Å | |
| C5 | C20 | sing | 1.48Å | 1.42Å | Aromatic |
| C20 | C25 | doub | 1.39Å | 1.45Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.45Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C24 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N14 | C19 | 115.7° | 117.4° |
| C15 | N14 | C11 | 124.9° | 121.3° |
| N14 | C15 | C16 | 112.3° | 108.1° |
| N14 | C15 | H151 | 111.2° | 109.8° |
| N14 | C15 | H152 | 111.2° | 109.7° |
| C19 | N14 | C11 | 119.3° | 121.3° |
| N14 | C19 | C18 | 110.5° | 108.4° |
| N14 | C19 | H191 | 111.8° | 109.8° |
| N14 | C19 | H192 | 111.8° | 109.4° |
| N14 | C11 | O12 | 116.6° | 118.7° |
| N14 | C11 | C10 | 123.3° | 118.7° |
| C16 | C15 | H151 | 111.2° | 109.8° |
| C16 | C15 | H152 | 111.2° | 109.7° |
| C15 | C16 | O17 | 112.1° | 109.6° |
| C15 | C16 | H161 | 111.3° | 109.5° |
| C15 | C16 | H162 | 111.3° | 109.5° |
| H151 | C15 | H152 | 99.2° | 109.8° |
| C18 | C19 | H191 | 111.8° | 109.7° |
| C18 | C19 | H192 | 111.8° | 109.7° |
| C19 | C18 | O17 | 110.5° | 109.7° |
| C19 | C18 | H181 | 111.9° | 109.5° |
| C19 | C18 | H182 | 111.8° | 109.3° |
| H191 | C19 | H192 | 98.6° | 109.7° |
| O12 | C11 | C10 | 120.0° | 122.6° |
| C11 | O12 | C4 | 125.8° | 122.2° |
| C11 | C10 | C9 | 119.6° | 119.5° |
| C11 | C10 | H10 | 114.7° | 120.2° |
| O17 | C16 | H161 | 111.2° | 109.4° |
| O17 | C16 | H162 | 111.2° | 109.5° |
| C16 | O17 | C18 | 116.6° | 107.7° |
| H161 | C16 | H162 | 99.1° | 109.4° |
| O17 | C18 | H181 | 111.8° | 109.4° |
| O17 | C18 | H182 | 111.8° | 109.5° |
| H181 | C18 | H182 | 98.5° | 109.4° |
| C2 | C1 | C6 | 121.1° | 120.4° |
| C2 | C1 | HC1 | 119.3° | 119.8° |
| C1 | C2 | C3 | 120.1° | 119.8° |
| C1 | C2 | HC2 | 120.3° | 120.1° |
| C6 | C1 | HC1 | 119.6° | 119.8° |
| C1 | C6 | C5 | 121.1° | 120.5° |
| C1 | C6 | HC6 | 118.8° | 119.7° |
| C3 | C2 | HC2 | 119.7° | 120.1° |
| C2 | C3 | C4 | 119.5° | 120.3° |
| C2 | C3 | C9 | 124.0° | 121.3° |
| C5 | C6 | HC6 | 120.1° | 119.8° |
| C6 | C5 | C4 | 116.9° | 119.7° |
| C6 | C5 | C20 | 121.2° | 120.2° |
| C4 | C3 | C9 | 116.5° | 118.4° |
| C3 | C4 | C5 | 121.3° | 119.3° |
| C3 | C4 | O12 | 119.0° | 119.8° |
| C3 | C9 | C10 | 119.0° | 117.4° |
| C3 | C9 | O13 | 123.8° | 121.3° |
| C5 | C4 | O12 | 119.7° | 120.9° |
| C4 | C5 | C20 | 121.9° | 120.1° |
| C10 | C9 | O13 | 117.1° | 121.3° |
| C9 | C10 | H10 | 125.7° | 120.2° |
| C5 | C20 | C25 | 122.2° | 120.1° |
| C5 | C20 | C21 | 121.2° | 120.1° |
| C25 | C20 | C21 | 116.5° | 119.8° |
| C20 | C25 | C24 | 121.3° | 119.9° |
| C20 | C25 | H25 | 120.1° | 120.0° |
| C20 | C21 | C22 | 121.7° | 119.8° |
| C20 | C21 | H21 | 119.9° | 120.1° |
| C24 | C25 | H25 | 118.6° | 120.1° |
| C25 | C24 | C23 | 120.2° | 120.2° |
| C25 | C24 | H24 | 120.2° | 120.0° |
| C23 | C24 | H24 | 119.6° | 119.9° |
| C24 | C23 | C22 | 119.9° | 120.2° |
| C24 | C23 | H23 | 120.3° | 119.9° |
| C22 | C21 | H21 | 118.4° | 120.1° |
| C21 | C22 | C23 | 120.2° | 120.1° |
| C21 | C22 | H22 | 120.4° | 120.0° |
| C23 | C22 | H22 | 119.4° | 119.9° |
| C22 | C23 | H23 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N14 | C19 | C11 | 177.0° | 179.8° |
| N14 | C15 | C16 | H151 | 125.2° | 119.8° |
| N14 | C15 | C16 | H152 | 125.3° | 119.6° |
| N14 | C15 | H151 | H152 | 117.1° | 120.6° |
| C15 | N14 | C19 | C18 | 49.7° | 46.8° |
| C15 | N14 | C19 | H191 | 75.6° | 166.7° |
| C15 | N14 | C19 | H192 | 174.9° | 72.8° |
| C15 | N14 | C11 | O12 | 166.6° | 148.4° |
| C15 | N14 | C11 | C10 | 13.1° | 31.6° |
| N14 | C15 | C16 | O17 | 44.3° | 55.9° |
| N14 | C15 | C16 | H161 | 80.9° | 175.9° |
| N14 | C15 | C16 | H162 | 169.6° | 64.1° |
| C19 | N14 | C15 | C16 | 45.7° | 46.9° |
| C19 | N14 | C15 | H151 | 170.9° | 72.8° |
| C19 | N14 | C15 | H152 | 79.6° | 166.5° |
| N14 | C19 | C18 | H191 | 125.3° | 119.9° |
| N14 | C19 | C18 | H192 | 125.2° | 119.5° |
| N14 | C19 | H191 | H192 | 117.8° | 120.3° |
| C19 | N14 | C11 | O12 | 10.1° | 31.4° |
| C19 | N14 | C11 | C10 | 170.2° | 148.6° |
| N14 | C19 | C18 | O17 | 52.4° | 55.6° |
| N14 | C19 | C18 | H181 | 177.7° | 175.7° |
| N14 | C19 | C18 | H182 | 72.8° | 64.4° |
| C11 | N14 | C15 | C16 | 137.5° | 132.9° |
| C11 | N14 | C15 | H151 | 12.2° | 107.4° |
| C11 | N14 | C15 | H152 | 97.3° | 13.3° |
| C11 | N14 | C19 | C18 | 133.3° | 133.0° |
| C11 | N14 | C19 | H191 | 101.5° | 13.1° |
| C11 | N14 | C19 | H192 | 8.1° | 107.4° |
| N14 | C11 | O12 | C10 | 179.7° | 180.0° |
| N14 | C11 | O12 | C4 | 179.6° | 179.9° |
| N14 | C11 | C10 | C9 | 179.5° | 180.0° |
| N14 | C11 | C10 | H10 | 0.5° | 0.0° |
| C16 | C15 | H151 | H152 | 117.1° | 120.6° |
| C15 | C16 | O17 | H161 | 125.3° | 120.0° |
| C15 | C16 | O17 | H162 | 125.3° | 120.1° |
| C15 | C16 | H161 | H162 | 117.2° | 120.0° |
| C15 | C16 | O17 | C18 | 52.1° | 68.8° |
| H151 | C15 | C16 | O17 | 169.6° | 63.8° |
| H151 | C15 | C16 | H161 | 44.3° | 56.2° |
| H151 | C15 | C16 | H162 | 65.2° | 176.1° |
| H152 | C15 | C16 | O17 | 80.9° | 175.5° |
| H152 | C15 | C16 | H161 | 153.8° | 64.5° |
| H152 | C15 | C16 | H162 | 44.3° | 55.4° |
| C18 | C19 | H191 | H192 | 117.7° | 120.6° |
| C19 | C18 | O17 | C16 | 56.3° | 68.7° |
| C19 | C18 | O17 | H181 | 125.3° | 120.2° |
| C19 | C18 | O17 | H182 | 125.3° | 120.0° |
| C19 | C18 | H181 | H182 | 117.7° | 119.8° |
| H191 | C19 | C18 | O17 | 72.8° | 175.6° |
| H191 | C19 | C18 | H181 | 52.5° | 64.3° |
| H191 | C19 | C18 | H182 | 161.9° | 55.5° |
| H192 | C19 | C18 | O17 | 177.7° | 63.8° |
| H192 | C19 | C18 | H181 | 57.0° | 56.3° |
| H192 | C19 | C18 | H182 | 52.4° | 176.1° |
| C11 | O12 | C4 | C3 | 0.6° | 0.3° |
| C11 | O12 | C4 | C5 | 179.7° | 180.0° |
| O12 | C11 | C10 | C9 | 0.2° | 0.0° |
| O12 | C11 | C10 | H10 | 179.8° | 180.0° |
| C11 | C10 | C9 | C3 | 0.6° | 0.1° |
| C10 | C11 | O12 | C4 | 0.2° | 0.1° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | O13 | 179.9° | 180.0° |
| O17 | C16 | H161 | H162 | 117.1° | 119.9° |
| C16 | O17 | C18 | H181 | 178.3° | 171.2° |
| C16 | O17 | C18 | H182 | 68.9° | 51.3° |
| H161 | C16 | O17 | C18 | 73.2° | 171.2° |
| H162 | C16 | O17 | C18 | 177.4° | 51.3° |
| O17 | C18 | H181 | H182 | 117.7° | 119.9° |
| C2 | C1 | C6 | HC1 | 179.9° | 179.9° |
| C1 | C2 | C3 | HC2 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.2° |
| C2 | C1 | C6 | HC6 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.1° |
| C1 | C2 | C3 | C9 | 179.7° | 179.6° |
| C6 | C1 | C2 | C3 | 0.7° | 0.1° |
| C6 | C1 | C2 | HC2 | 179.3° | 180.0° |
| C1 | C6 | C5 | HC6 | 179.9° | 179.9° |
| C1 | C6 | C5 | C4 | 0.3° | 0.4° |
| C1 | C6 | C5 | C20 | 179.9° | 179.9° |
| HC1 | C1 | C2 | C3 | 179.2° | 180.0° |
| HC1 | C1 | C2 | HC2 | 0.7° | 0.0° |
| HC1 | C1 | C6 | C5 | 179.7° | 179.8° |
| HC1 | C1 | C6 | HC6 | 0.3° | 0.1° |
| C2 | C3 | C4 | C9 | 178.6° | 179.6° |
| C2 | C3 | C4 | C5 | 1.3° | 0.2° |
| C2 | C3 | C4 | O12 | 179.6° | 179.9° |
| C2 | C3 | C9 | C10 | 179.5° | 180.0° |
| C2 | C3 | C9 | O13 | 1.2° | 0.1° |
| HC2 | C2 | C3 | C4 | 178.8° | 180.0° |
| HC2 | C2 | C3 | C9 | 0.3° | 0.4° |
| C6 | C5 | C4 | C3 | 0.8° | 0.4° |
| C6 | C5 | C4 | C20 | 179.6° | 179.5° |
| C6 | C5 | C4 | O12 | 179.9° | 179.9° |
| C6 | C5 | C20 | C25 | 97.9° | 60.0° |
| C6 | C5 | C20 | C21 | 80.6° | 120.2° |
| HC6 | C6 | C5 | C4 | 179.8° | 179.7° |
| HC6 | C6 | C5 | C20 | 0.2° | 0.2° |
| C3 | C4 | C5 | O12 | 179.1° | 179.7° |
| C4 | C3 | C9 | C10 | 1.0° | 0.4° |
| C4 | C3 | C9 | O13 | 179.8° | 179.8° |
| C3 | C4 | C5 | C20 | 179.6° | 180.0° |
| C9 | C3 | C4 | C5 | 179.9° | 179.8° |
| C9 | C3 | C4 | O12 | 1.0° | 0.5° |
| C3 | C9 | C10 | O13 | 179.3° | 179.8° |
| C3 | C9 | C10 | H10 | 179.4° | 179.8° |
| C4 | C5 | C20 | C25 | 82.5° | 119.5° |
| C4 | C5 | C20 | C21 | 99.0° | 60.3° |
| O12 | C4 | C5 | C20 | 0.5° | 0.4° |
| O13 | C9 | C10 | H10 | 0.1° | 0.0° |
| C5 | C20 | C25 | C21 | 178.5° | 179.8° |
| C5 | C20 | C25 | C24 | 179.5° | 180.0° |
| C5 | C20 | C25 | H25 | 0.5° | 0.0° |
| C5 | C20 | C21 | C22 | 179.5° | 179.7° |
| C5 | C20 | C21 | H21 | 0.6° | 0.2° |
| C20 | C25 | C24 | H25 | 180.0° | 179.9° |
| C20 | C25 | C24 | C23 | 2.1° | 0.0° |
| C20 | C25 | C24 | H24 | 177.9° | 180.0° |
| C25 | C20 | C21 | C22 | 2.0° | 0.6° |
| C25 | C20 | C21 | H21 | 178.0° | 180.0° |
| C21 | C20 | C25 | C24 | 2.0° | 0.3° |
| C21 | C20 | C25 | H25 | 178.0° | 179.8° |
| C20 | C21 | C22 | H21 | 180.0° | 179.4° |
| C20 | C21 | C22 | C23 | 2.1° | 0.6° |
| C20 | C21 | C22 | H22 | 177.9° | 179.7° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 2.2° | 0.1° |
| C25 | C24 | C23 | H23 | 177.8° | 179.9° |
| H25 | C25 | C24 | C23 | 177.9° | 180.0° |
| H25 | C25 | C24 | H24 | 2.1° | 0.1° |
| C24 | C23 | C22 | C21 | 2.1° | 0.4° |
| C24 | C23 | C22 | H23 | 180.0° | 179.9° |
| C24 | C23 | C22 | H22 | 177.8° | 179.9° |
| H24 | C24 | C23 | C22 | 177.9° | 180.0° |
| H24 | C24 | C23 | H23 | 2.2° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | H23 | 177.8° | 179.8° |
| H21 | C21 | C22 | C23 | 177.9° | 179.9° |
| H21 | C21 | C22 | H22 | 2.2° | 0.2° |
| H22 | C22 | C23 | H23 | 2.2° | 0.1° |
