YHL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O22 | sing | 1.43Å | 1.42Å | |
| O22 | C12 | sing | 1.36Å | 1.36Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| O20 | C13 | sing | 1.36Å | 1.36Å | |
| O20 | C21 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C10 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| N7 | C8 | sing | 1.47Å | 1.50Å | |
| N7 | C16 | sing | 1.46Å | 1.51Å | |
| N7 | C6 | sing | 1.46Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C5 | C18 | sing | 1.52Å | 1.50Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C18 | O19 | doub | 1.21Å | 1.21Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O22 | C12 | 117.5° | 117.0° |
| O22 | C23 | H25 | 109.5° | 109.5° |
| O22 | C23 | H26 | 109.5° | 109.4° |
| O22 | C23 | H27 | 109.5° | 109.5° |
| O22 | C12 | C11 | 124.6° | 120.1° |
| O22 | C12 | C13 | 115.6° | 120.1° |
| C11 | C12 | C13 | 119.8° | 119.7° |
| C12 | C11 | C10 | 120.5° | 120.4° |
| C12 | C11 | H17 | 119.8° | 119.8° |
| C12 | C13 | O20 | 115.6° | 120.2° |
| C12 | C13 | C14 | 119.8° | 119.7° |
| C13 | O20 | C21 | 117.5° | 117.0° |
| O20 | C13 | C14 | 124.6° | 120.1° |
| O20 | C21 | H22 | 109.5° | 109.5° |
| O20 | C21 | H23 | 109.5° | 109.5° |
| O20 | C21 | H24 | 109.5° | 109.4° |
| C11 | C10 | C9 | 119.2° | 118.2° |
| C11 | C10 | C15 | 119.7° | 119.8° |
| C10 | C11 | H17 | 119.7° | 119.8° |
| C13 | C14 | C15 | 120.5° | 120.3° |
| C13 | C14 | H18 | 119.8° | 119.9° |
| C9 | C10 | C15 | 121.1° | 122.0° |
| C10 | C9 | C8 | 114.2° | 110.2° |
| C10 | C9 | H15 | 108.3° | 109.4° |
| C10 | C9 | H16 | 108.3° | 109.2° |
| C10 | C15 | C14 | 119.7° | 120.1° |
| C10 | C15 | C16 | 121.7° | 121.6° |
| C9 | C8 | N7 | 109.3° | 108.3° |
| C9 | C8 | H13 | 109.5° | 109.7° |
| C9 | C8 | H14 | 109.5° | 109.8° |
| C8 | C9 | H15 | 108.3° | 109.3° |
| C8 | C9 | H16 | 108.3° | 109.3° |
| C14 | C15 | C16 | 118.5° | 118.3° |
| C15 | C14 | H18 | 119.8° | 119.8° |
| C15 | C16 | N7 | 109.9° | 109.6° |
| C15 | C16 | C17 | 112.4° | 108.4° |
| C15 | C16 | H19 | 108.7° | 109.6° |
| C8 | N7 | C16 | 110.8° | 110.6° |
| C8 | N7 | C6 | 112.0° | 112.4° |
| N7 | C8 | H13 | 109.5° | 109.7° |
| N7 | C8 | H14 | 109.5° | 109.6° |
| C16 | N7 | C6 | 110.9° | 113.1° |
| N7 | C16 | C17 | 108.8° | 109.7° |
| N7 | C16 | H19 | 108.7° | 109.9° |
| N7 | C6 | C5 | 114.7° | 110.0° |
| N7 | C6 | H11 | 108.1° | 109.4° |
| N7 | C6 | H12 | 108.2° | 109.3° |
| C16 | C17 | C18 | 110.4° | 108.6° |
| C17 | C16 | H19 | 108.3° | 109.6° |
| C16 | C17 | H20 | 109.3° | 109.6° |
| C16 | C17 | H21 | 109.2° | 109.6° |
| C6 | C5 | C18 | 107.1° | 107.9° |
| C6 | C5 | C4 | 111.7° | 109.8° |
| C6 | C5 | H10 | 109.3° | 109.8° |
| C5 | C6 | H11 | 108.2° | 109.4° |
| C5 | C6 | H12 | 108.1° | 109.4° |
| C17 | C18 | C5 | 115.3° | 117.6° |
| C17 | C18 | O19 | 121.9° | 121.2° |
| C18 | C17 | H20 | 109.2° | 109.6° |
| C18 | C17 | H21 | 109.3° | 109.6° |
| C18 | C5 | C4 | 110.0° | 109.8° |
| C5 | C18 | O19 | 122.8° | 121.1° |
| C18 | C5 | H10 | 109.5° | 109.7° |
| C5 | C4 | C2 | 116.8° | 109.5° |
| C5 | C4 | H8 | 107.6° | 109.5° |
| C5 | C4 | H9 | 107.6° | 109.5° |
| C4 | C5 | H10 | 109.1° | 109.8° |
| C4 | C2 | C1 | 111.2° | 109.5° |
| C4 | C2 | C3 | 111.9° | 109.5° |
| C4 | C2 | H4 | 107.6° | 109.5° |
| C2 | C4 | H8 | 107.6° | 109.5° |
| C2 | C4 | H9 | 107.6° | 109.5° |
| C1 | C2 | C3 | 110.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 107.7° | 109.4° |
| C3 | C2 | H4 | 107.7° | 109.4° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.7° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H20 | C17 | H21 | 109.5° | 109.7° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.4° | 109.5° |
| H25 | C23 | H26 | 109.4° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O22 | C12 | C11 | 1.2° | 0.0° |
| C23 | O22 | C12 | C13 | 178.5° | 180.0° |
| O22 | C23 | H25 | H26 | 120.0° | 120.0° |
| O22 | C23 | H25 | H27 | 120.0° | 120.0° |
| O22 | C23 | H26 | H27 | 120.0° | 119.9° |
| O22 | C12 | C11 | C13 | 179.7° | 180.0° |
| O22 | C12 | C13 | O20 | 0.4° | 0.1° |
| O22 | C12 | C11 | C10 | 179.7° | 180.0° |
| O22 | C12 | C13 | C14 | 179.7° | 179.9° |
| O22 | C12 | C11 | H17 | 0.3° | 0.0° |
| C12 | O22 | C23 | H25 | 180.0° | 60.0° |
| C12 | O22 | C23 | H26 | 60.0° | 180.0° |
| C12 | O22 | C23 | H27 | 60.0° | 60.1° |
| C11 | C12 | C13 | O20 | 179.9° | 179.9° |
| C12 | C11 | C10 | H17 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C12 | C11 | C10 | C9 | 179.3° | 179.7° |
| C12 | C11 | C10 | C15 | 0.1° | 0.2° |
| C12 | C13 | O20 | C14 | 179.9° | 180.0° |
| C12 | C13 | O20 | C21 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | C11 | H17 | 180.0° | 180.0° |
| C12 | C13 | C14 | H18 | 179.9° | 179.9° |
| O20 | C13 | C14 | C15 | 180.0° | 180.0° |
| O20 | C13 | C14 | H18 | 0.0° | 0.1° |
| C13 | O20 | C21 | H22 | 180.0° | 60.0° |
| C13 | O20 | C21 | H23 | 60.0° | 180.0° |
| C13 | O20 | C21 | H24 | 60.0° | 60.0° |
| C21 | O20 | C13 | C14 | 0.2° | 0.0° |
| O20 | C21 | H22 | H23 | 120.0° | 120.1° |
| O20 | C21 | H22 | H24 | 120.0° | 120.0° |
| O20 | C21 | H23 | H24 | 120.0° | 120.0° |
| C11 | C10 | C9 | C15 | 179.4° | 179.9° |
| C11 | C10 | C9 | C8 | 169.1° | 164.6° |
| C11 | C10 | C15 | C14 | 0.2° | 0.3° |
| C11 | C10 | C15 | C16 | 178.9° | 179.4° |
| C11 | C10 | C9 | H15 | 48.4° | 75.2° |
| C11 | C10 | C9 | H16 | 70.2° | 44.5° |
| C13 | C14 | C15 | C10 | 0.1° | 0.2° |
| C13 | C14 | C15 | H18 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 179.0° | 179.5° |
| C10 | C9 | C8 | H15 | 120.7° | 120.3° |
| C10 | C9 | C8 | H16 | 120.7° | 120.0° |
| C9 | C10 | C15 | C14 | 179.2° | 179.6° |
| C9 | C10 | C15 | C16 | 1.7° | 0.8° |
| C10 | C9 | C8 | N7 | 42.3° | 48.8° |
| C10 | C9 | C8 | H13 | 77.6° | 70.9° |
| C10 | C9 | C8 | H14 | 162.3° | 168.5° |
| C10 | C9 | H15 | H16 | 117.8° | 119.6° |
| C9 | C10 | C11 | H17 | 0.7° | 0.3° |
| C15 | C10 | C9 | C8 | 11.5° | 15.6° |
| C10 | C15 | C14 | C16 | 179.1° | 179.7° |
| C10 | C15 | C16 | N7 | 23.0° | 19.3° |
| C10 | C15 | C16 | C17 | 98.3° | 100.4° |
| C15 | C10 | C9 | H15 | 132.2° | 104.7° |
| C15 | C10 | C9 | H16 | 109.2° | 135.7° |
| C15 | C10 | C11 | H17 | 179.9° | 179.9° |
| C10 | C15 | C14 | H18 | 179.8° | 179.7° |
| C10 | C15 | C16 | H19 | 141.8° | 140.0° |
| C9 | C8 | N7 | H13 | 120.0° | 119.7° |
| C9 | C8 | N7 | H14 | 120.0° | 119.7° |
| C9 | C8 | N7 | C16 | 65.9° | 71.8° |
| C9 | C8 | N7 | C6 | 169.6° | 160.8° |
| C9 | C8 | H13 | H14 | 120.1° | 120.7° |
| C8 | C9 | H15 | H16 | 117.8° | 119.7° |
| C14 | C15 | C16 | N7 | 157.9° | 161.0° |
| C14 | C15 | C16 | C17 | 80.8° | 79.3° |
| C14 | C15 | C16 | H19 | 39.1° | 40.3° |
| C15 | C16 | N7 | C8 | 54.9° | 54.6° |
| C15 | C16 | N7 | C17 | 123.4° | 118.9° |
| C15 | C16 | N7 | H19 | 118.9° | 120.5° |
| C15 | C16 | N7 | C6 | 180.0° | 178.4° |
| C15 | C16 | C17 | H19 | 120.1° | 119.6° |
| C15 | C16 | C17 | C18 | 177.9° | 171.9° |
| C16 | C15 | C14 | H18 | 1.0° | 0.6° |
| C15 | C16 | C17 | H20 | 61.9° | 68.3° |
| C15 | C16 | C17 | H21 | 57.8° | 52.2° |
| C8 | N7 | C16 | C6 | 125.1° | 127.0° |
| C8 | N7 | C16 | C17 | 68.5° | 64.3° |
| C8 | N7 | C6 | C5 | 66.7° | 62.5° |
| C8 | N7 | C6 | H11 | 54.1° | 177.3° |
| C8 | N7 | C6 | H12 | 172.6° | 57.6° |
| N7 | C8 | H13 | H14 | 120.0° | 120.5° |
| N7 | C8 | C9 | H15 | 163.1° | 71.5° |
| N7 | C8 | C9 | H16 | 78.3° | 168.8° |
| C8 | N7 | C16 | H19 | 173.8° | 175.1° |
| N7 | C16 | C17 | H19 | 118.0° | 120.7° |
| C16 | N7 | C6 | C5 | 57.7° | 63.6° |
| N7 | C16 | C17 | C18 | 56.0° | 52.3° |
| C16 | N7 | C6 | H11 | 178.5° | 56.6° |
| C16 | N7 | C6 | H12 | 63.1° | 176.4° |
| C16 | N7 | C8 | H13 | 54.0° | 47.9° |
| C16 | N7 | C8 | H14 | 174.1° | 168.5° |
| N7 | C16 | C17 | H20 | 176.1° | 172.0° |
| N7 | C16 | C17 | H21 | 64.2° | 67.5° |
| C6 | N7 | C16 | C17 | 56.6° | 62.7° |
| N7 | C6 | C5 | H11 | 120.8° | 120.2° |
| N7 | C6 | C5 | H12 | 120.8° | 120.0° |
| N7 | C6 | C5 | C18 | 52.9° | 53.4° |
| N7 | C6 | C5 | C4 | 173.4° | 173.0° |
| N7 | C6 | C5 | H10 | 65.7° | 66.2° |
| N7 | C6 | H11 | H12 | 117.6° | 119.7° |
| C6 | N7 | C8 | H13 | 70.4° | 79.5° |
| C6 | N7 | C8 | H14 | 49.6° | 41.1° |
| C6 | N7 | C16 | H19 | 61.1° | 57.9° |
| C16 | C17 | C18 | H20 | 120.2° | 119.7° |
| C16 | C17 | C18 | H21 | 120.1° | 119.8° |
| C16 | C17 | C18 | C5 | 56.9° | 49.7° |
| C16 | C17 | C18 | O19 | 123.3° | 130.2° |
| C16 | C17 | H20 | H21 | 119.6° | 120.5° |
| C6 | C5 | C18 | C17 | 53.0° | 50.0° |
| C6 | C5 | C18 | C4 | 121.6° | 119.6° |
| C6 | C5 | C18 | H10 | 118.4° | 119.6° |
| C6 | C5 | C4 | H10 | 121.0° | 120.8° |
| C6 | C5 | C18 | O19 | 127.2° | 129.9° |
| C6 | C5 | C4 | C2 | 103.3° | 67.2° |
| C6 | C5 | C4 | H8 | 17.8° | 172.8° |
| C6 | C5 | C4 | H9 | 135.7° | 52.8° |
| C5 | C6 | H11 | H12 | 117.6° | 119.8° |
| C17 | C18 | C5 | O19 | 179.9° | 179.9° |
| C17 | C18 | C5 | C4 | 174.6° | 169.7° |
| C17 | C18 | C5 | H10 | 65.5° | 69.6° |
| C18 | C17 | C16 | H19 | 62.0° | 68.4° |
| C18 | C17 | H20 | H21 | 119.6° | 120.4° |
| C18 | C5 | C4 | H10 | 120.2° | 120.7° |
| C18 | C5 | C4 | C2 | 138.0° | 174.3° |
| C18 | C5 | C4 | H8 | 101.0° | 54.3° |
| C18 | C5 | C4 | H9 | 16.9° | 65.7° |
| C18 | C5 | C6 | H11 | 173.7° | 66.8° |
| C18 | C5 | C6 | H12 | 67.9° | 173.4° |
| C5 | C18 | C17 | H20 | 177.1° | 169.5° |
| C5 | C18 | C17 | H21 | 63.2° | 70.1° |
| C4 | C5 | C18 | O19 | 5.6° | 10.3° |
| C5 | C4 | C2 | H8 | 121.0° | 120.0° |
| C5 | C4 | C2 | H9 | 121.1° | 120.0° |
| C5 | C4 | C2 | C1 | 111.8° | 174.3° |
| C5 | C4 | C2 | C3 | 12.4° | 65.7° |
| C5 | C4 | C2 | H4 | 130.5° | 54.3° |
| C5 | C4 | H8 | H9 | 116.7° | 120.0° |
| C4 | C5 | C6 | H11 | 65.8° | 52.8° |
| C4 | C5 | C6 | H12 | 52.6° | 67.0° |
| O19 | C18 | C5 | H10 | 114.4° | 110.5° |
| O19 | C18 | C17 | H20 | 3.1° | 10.5° |
| O19 | C18 | C17 | H21 | 116.6° | 110.0° |
| C4 | C2 | C1 | C3 | 124.9° | 120.1° |
| C4 | C2 | C1 | H4 | 117.6° | 120.0° |
| C4 | C2 | C3 | H4 | 118.0° | 120.0° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C2 | C1 | H2 | 60.0° | 60.0° |
| C4 | C2 | C1 | H3 | 60.0° | 60.1° |
| C4 | C2 | C3 | H5 | 180.0° | 55.9° |
| C4 | C2 | C3 | H6 | 60.0° | 176.0° |
| C4 | C2 | C3 | H7 | 60.0° | 64.0° |
| C2 | C4 | H8 | H9 | 116.7° | 120.0° |
| C2 | C4 | C5 | H10 | 17.8° | 53.6° |
| C1 | C2 | C3 | H4 | 117.5° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H5 | 55.5° | 175.9° |
| C1 | C2 | C3 | H6 | 175.5° | 64.0° |
| C1 | C2 | C3 | H7 | 64.6° | 56.0° |
| C1 | C2 | C4 | H8 | 9.2° | 65.7° |
| C1 | C2 | C4 | H9 | 127.1° | 54.3° |
| C3 | C2 | C1 | H1 | 55.1° | 59.9° |
| C3 | C2 | C1 | H2 | 64.9° | 179.9° |
| C3 | C2 | C1 | H3 | 175.1° | 60.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.1° |
| C2 | C3 | H5 | H7 | 120.0° | 119.9° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C3 | C2 | C4 | H8 | 133.5° | 54.3° |
| C3 | C2 | C4 | H9 | 108.6° | 174.3° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | C2 | H4 | 62.3° | 60.0° |
| H2 | C1 | C2 | H4 | 177.7° | 60.0° |
| H3 | C1 | C2 | H4 | 57.6° | 179.9° |
| H4 | C2 | C3 | H5 | 62.0° | 64.1° |
| H4 | C2 | C3 | H6 | 58.0° | 56.0° |
| H4 | C2 | C3 | H7 | 178.0° | 176.0° |
| H4 | C2 | C4 | H8 | 108.5° | 174.3° |
| H4 | C2 | C4 | H9 | 9.4° | 65.7° |
| H5 | C3 | H6 | H7 | 120.0° | 119.9° |
| H8 | C4 | C5 | H10 | 138.8° | 66.4° |
| H9 | C4 | C5 | H10 | 103.3° | 173.6° |
| H10 | C5 | C6 | H11 | 55.1° | 173.6° |
| H10 | C5 | C6 | H12 | 173.6° | 53.9° |
| H13 | C8 | C9 | H15 | 43.1° | 168.8° |
| H13 | C8 | C9 | H16 | 161.7° | 49.1° |
| H14 | C8 | C9 | H15 | 77.0° | 48.2° |
| H14 | C8 | C9 | H16 | 41.6° | 71.5° |
| H19 | C16 | C17 | H20 | 58.2° | 51.3° |
| H19 | C16 | C17 | H21 | 177.9° | 171.8° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| H25 | C23 | H26 | H27 | 120.0° | 120.1° |
