L4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| O16 | C17 | sing | 1.36Å | 1.37Å | |
| O16 | C15 | sing | 1.43Å | 1.43Å | |
| C17 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | N23 | sing | 1.40Å | 1.40Å | |
| N23 | C26 | sing | 1.46Å | 1.46Å | |
| N23 | C24 | sing | 1.35Å | 1.35Å | |
| C14 | C24 | sing | 1.51Å | 1.50Å | |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| C24 | O25 | doub | 1.21Å | 1.21Å | |
| N13 | C11 | sing | 1.35Å | 1.36Å | |
| O12 | C11 | doub | 1.22Å | 1.21Å | |
| C11 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | doub | 1.37Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.37Å | 1.36Å | Aromatic |
| C27 | C6 | sing | 1.50Å | 1.50Å | |
| C27 | C2 | sing | 1.54Å | 1.55Å | |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| N8 | N10 | sing | 1.29Å | 1.28Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N10 | C5 | doub | 1.30Å | 1.30Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N8 | H10 | sing | 0.97Å | 1.00Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 120.3° | 119.9° |
| C18 | C19 | C20 | 119.6° | 120.3° |
| C19 | C18 | H14 | 119.8° | 120.0° |
| C18 | C19 | H15 | 120.2° | 119.9° |
| C18 | C17 | O16 | 119.7° | 120.5° |
| C18 | C17 | C22 | 119.6° | 119.8° |
| C17 | C18 | H14 | 119.9° | 120.1° |
| C19 | C20 | C21 | 120.7° | 120.1° |
| C20 | C19 | H15 | 120.2° | 119.9° |
| C19 | C20 | H16 | 119.7° | 120.0° |
| C17 | O16 | C15 | 117.6° | 117.2° |
| O16 | C17 | C22 | 120.7° | 119.7° |
| O16 | C15 | C14 | 112.8° | 110.4° |
| O16 | C15 | H12 | 108.6° | 109.3° |
| O16 | C15 | H13 | 108.6° | 109.1° |
| C17 | C22 | C21 | 119.6° | 120.0° |
| C17 | C22 | N23 | 120.0° | 119.4° |
| C20 | C21 | C22 | 120.1° | 119.8° |
| C21 | C20 | H16 | 119.7° | 119.9° |
| C20 | C21 | H17 | 119.9° | 120.0° |
| C15 | C14 | C24 | 112.0° | 110.1° |
| C15 | C14 | N13 | 111.3° | 109.3° |
| C15 | C14 | H3 | 108.8° | 109.3° |
| C14 | C15 | H12 | 108.6° | 109.3° |
| C14 | C15 | H13 | 108.6° | 109.3° |
| C21 | C22 | N23 | 120.4° | 120.6° |
| C22 | C21 | H17 | 119.9° | 120.1° |
| C22 | N23 | C26 | 118.9° | 120.3° |
| C22 | N23 | C24 | 120.9° | 119.4° |
| C26 | N23 | C24 | 120.2° | 120.3° |
| N23 | C26 | H18 | 109.5° | 109.5° |
| N23 | C26 | H19 | 109.5° | 109.5° |
| N23 | C26 | H20 | 109.5° | 109.5° |
| N23 | C24 | C14 | 120.2° | 119.6° |
| N23 | C24 | O25 | 121.1° | 120.2° |
| C24 | C14 | N13 | 105.5° | 109.3° |
| C14 | C24 | O25 | 118.6° | 120.2° |
| C24 | C14 | H3 | 109.3° | 109.4° |
| C14 | N13 | C11 | 123.0° | 120.0° |
| N13 | C14 | H3 | 109.8° | 109.4° |
| C14 | N13 | H11 | 118.5° | 120.0° |
| N13 | C11 | O12 | 121.0° | 120.0° |
| N13 | C11 | C7 | 117.0° | 120.0° |
| C11 | N13 | H11 | 118.5° | 120.0° |
| O12 | C11 | C7 | 122.0° | 120.0° |
| C11 | C7 | C6 | 131.6° | 127.0° |
| C11 | C7 | N8 | 122.2° | 127.1° |
| C6 | C7 | N8 | 106.1° | 105.9° |
| C7 | C6 | C27 | 132.1° | 129.9° |
| C7 | C6 | C5 | 104.9° | 105.8° |
| C7 | N8 | N10 | 110.0° | 109.7° |
| C7 | N8 | H10 | 125.0° | 125.2° |
| C6 | C27 | C2 | 108.2° | 108.1° |
| C27 | C6 | C5 | 123.0° | 124.2° |
| C6 | C27 | H21 | 109.8° | 109.7° |
| C6 | C27 | H22 | 109.8° | 109.7° |
| C27 | C2 | C1 | 110.9° | 109.5° |
| C27 | C2 | C3 | 111.8° | 109.7° |
| C27 | C2 | H9 | 109.2° | 109.4° |
| C2 | C27 | H21 | 109.8° | 109.7° |
| C2 | C27 | H22 | 109.8° | 109.8° |
| C6 | C5 | N10 | 108.0° | 107.8° |
| C6 | C5 | C4 | 124.7° | 123.2° |
| N8 | N10 | C5 | 110.9° | 110.7° |
| N10 | N8 | H10 | 125.0° | 125.1° |
| C1 | C2 | C3 | 106.1° | 109.4° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 109.4° | 109.4° |
| N10 | C5 | C4 | 127.3° | 129.0° |
| C5 | C4 | C3 | 110.2° | 108.2° |
| C5 | C4 | H1 | 109.3° | 109.7° |
| C5 | C4 | H2 | 109.3° | 109.7° |
| C2 | C3 | C4 | 111.3° | 109.9° |
| C2 | C3 | H4 | 109.0° | 109.4° |
| C2 | C3 | H5 | 109.0° | 109.3° |
| C3 | C2 | H9 | 109.4° | 109.4° |
| C3 | C4 | H1 | 109.3° | 109.7° |
| C3 | C4 | H2 | 109.3° | 109.7° |
| C4 | C3 | H4 | 109.1° | 109.4° |
| C4 | C3 | H5 | 109.0° | 109.4° |
| H1 | C4 | H2 | 109.5° | 109.8° |
| H4 | C3 | H5 | 109.4° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.3° |
| H18 | C26 | H19 | 109.4° | 109.4° |
| H18 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | H15 | 180.0° | 180.0° |
| C19 | C18 | C17 | O16 | 179.4° | 179.8° |
| C19 | C18 | C17 | C22 | 0.0° | 0.2° |
| C18 | C19 | C20 | C21 | 0.0° | 0.1° |
| C18 | C19 | C20 | H16 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C17 | O16 | C22 | 179.3° | 180.0° |
| C18 | C17 | O16 | C15 | 108.2° | 104.8° |
| C18 | C17 | C22 | C21 | 0.6° | 0.2° |
| C18 | C17 | C22 | N23 | 179.2° | 179.4° |
| C17 | C18 | C19 | H15 | 179.7° | 180.0° |
| C19 | C20 | C21 | H16 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.6° | 0.0° |
| C20 | C19 | C18 | H14 | 179.7° | 180.0° |
| C19 | C20 | C21 | H17 | 179.4° | 179.9° |
| C17 | O16 | C15 | C14 | 42.9° | 43.7° |
| O16 | C17 | C22 | C21 | 179.9° | 179.7° |
| O16 | C17 | C22 | N23 | 1.5° | 0.7° |
| C17 | O16 | C15 | H12 | 163.4° | 76.5° |
| C17 | O16 | C15 | H13 | 77.6° | 164.0° |
| O16 | C17 | C18 | H14 | 0.6° | 0.2° |
| C15 | O16 | C17 | C22 | 71.1° | 75.2° |
| O16 | C15 | C14 | H12 | 120.5° | 120.3° |
| O16 | C15 | C14 | H13 | 120.5° | 120.1° |
| O16 | C15 | C14 | C24 | 41.2° | 44.0° |
| O16 | C15 | C14 | N13 | 159.1° | 164.1° |
| O16 | C15 | C14 | H3 | 79.7° | 76.2° |
| O16 | C15 | H12 | H13 | 118.5° | 119.4° |
| C17 | C22 | C21 | C20 | 0.9° | 0.2° |
| C17 | C22 | C21 | N23 | 178.5° | 179.6° |
| C17 | C22 | N23 | C26 | 129.4° | 131.3° |
| C17 | C22 | N23 | C24 | 48.9° | 48.8° |
| C22 | C17 | C18 | H14 | 180.0° | 179.9° |
| C17 | C22 | C21 | H17 | 179.1° | 179.8° |
| C20 | C21 | C22 | H17 | 180.0° | 179.9° |
| C20 | C21 | C22 | N23 | 179.4° | 179.4° |
| C21 | C20 | C19 | H15 | 180.0° | 179.9° |
| C15 | C14 | C24 | N23 | 69.6° | 74.4° |
| C15 | C14 | C24 | N13 | 121.2° | 120.1° |
| C15 | C14 | C24 | H3 | 120.7° | 120.1° |
| C15 | C14 | N13 | H3 | 120.6° | 119.7° |
| C15 | C14 | C24 | O25 | 111.3° | 105.6° |
| C15 | C14 | N13 | C11 | 83.0° | 154.3° |
| C15 | C14 | N13 | H11 | 97.0° | 25.6° |
| C14 | C15 | H12 | H13 | 118.5° | 119.7° |
| C21 | C22 | N23 | C26 | 49.2° | 48.3° |
| C21 | C22 | N23 | C24 | 132.6° | 131.7° |
| C22 | C21 | C20 | H16 | 179.4° | 179.9° |
| C22 | N23 | C26 | C24 | 178.3° | 180.0° |
| C22 | N23 | C24 | C14 | 1.9° | 3.6° |
| C22 | N23 | C24 | O25 | 179.0° | 176.4° |
| N23 | C22 | C21 | H17 | 0.6° | 0.6° |
| C22 | N23 | C26 | H18 | 180.0° | 90.1° |
| C22 | N23 | C26 | H19 | 60.0° | 150.0° |
| C22 | N23 | C26 | H20 | 60.0° | 30.0° |
| C26 | N23 | C24 | C14 | 179.9° | 176.4° |
| C26 | N23 | C24 | O25 | 0.8° | 3.6° |
| N23 | C26 | H18 | H19 | 120.0° | 120.0° |
| N23 | C26 | H18 | H20 | 120.0° | 120.1° |
| N23 | C26 | H19 | H20 | 120.0° | 120.1° |
| N23 | C24 | C14 | O25 | 179.1° | 180.0° |
| N23 | C24 | C14 | N13 | 169.1° | 165.4° |
| N23 | C24 | C14 | H3 | 51.1° | 45.7° |
| C24 | N23 | C26 | H18 | 1.7° | 89.9° |
| C24 | N23 | C26 | H19 | 121.7° | 29.9° |
| C24 | N23 | C26 | H20 | 118.3° | 150.0° |
| C24 | C14 | N13 | H3 | 117.7° | 119.8° |
| C24 | C14 | N13 | C11 | 155.3° | 85.1° |
| C24 | C14 | N13 | H11 | 24.7° | 95.0° |
| C24 | C14 | C15 | H12 | 79.3° | 164.2° |
| C24 | C14 | C15 | H13 | 161.7° | 76.1° |
| N13 | C14 | C24 | O25 | 9.9° | 14.5° |
| C14 | N13 | C11 | H11 | 180.0° | 179.9° |
| C14 | N13 | C11 | O12 | 0.6° | 0.1° |
| C14 | N13 | C11 | C7 | 179.1° | 180.0° |
| N13 | C14 | C15 | H12 | 38.6° | 75.6° |
| N13 | C14 | C15 | H13 | 80.4° | 44.0° |
| O25 | C24 | C14 | H3 | 128.0° | 134.3° |
| N13 | C11 | O12 | C7 | 179.7° | 179.9° |
| N13 | C11 | C7 | C6 | 167.9° | 180.0° |
| N13 | C11 | C7 | N8 | 12.2° | 0.1° |
| C11 | N13 | C14 | H3 | 37.6° | 34.7° |
| O12 | C11 | C7 | C6 | 12.3° | 0.1° |
| O12 | C11 | C7 | N8 | 167.5° | 180.0° |
| O12 | C11 | N13 | H11 | 179.4° | 180.0° |
| C11 | C7 | C6 | N8 | 179.9° | 179.9° |
| C11 | C7 | C6 | C27 | 0.0° | 0.4° |
| C11 | C7 | C6 | C5 | 180.0° | 179.9° |
| C11 | C7 | N8 | N10 | 179.6° | 179.9° |
| C11 | C7 | N8 | H10 | 0.4° | 0.1° |
| C7 | C11 | N13 | H11 | 0.9° | 0.1° |
| C7 | C6 | C27 | C5 | 179.9° | 179.7° |
| C7 | C6 | C27 | C2 | 160.7° | 163.5° |
| C6 | C7 | N8 | N10 | 0.5° | 0.0° |
| C7 | C6 | C5 | N10 | 0.2° | 0.1° |
| C7 | C6 | C5 | C4 | 179.8° | 179.9° |
| C6 | C7 | N8 | H10 | 179.5° | 180.0° |
| C7 | C6 | C27 | H21 | 79.4° | 76.9° |
| C7 | C6 | C27 | H22 | 40.9° | 43.8° |
| N8 | C7 | C6 | C27 | 179.9° | 179.7° |
| N8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C7 | N8 | N10 | H10 | 180.0° | 180.0° |
| C7 | N8 | N10 | C5 | 0.7° | 0.0° |
| C6 | C27 | C2 | H21 | 119.8° | 119.6° |
| C6 | C27 | C2 | H22 | 119.8° | 119.7° |
| C6 | C27 | C2 | C1 | 169.1° | 170.0° |
| C27 | C6 | C5 | N10 | 179.7° | 179.7° |
| C27 | C6 | C5 | C4 | 0.2° | 0.4° |
| C6 | C27 | C2 | C3 | 50.9° | 49.9° |
| C6 | C27 | C2 | H9 | 70.3° | 70.1° |
| C6 | C27 | H21 | H22 | 120.6° | 120.6° |
| C2 | C27 | C6 | C5 | 19.3° | 16.1° |
| C27 | C2 | C1 | C3 | 121.5° | 120.3° |
| C27 | C2 | C1 | H9 | 120.5° | 119.8° |
| C27 | C2 | C3 | H9 | 121.1° | 120.0° |
| C27 | C2 | C3 | C4 | 65.6° | 71.3° |
| C27 | C2 | C3 | H4 | 54.7° | 168.5° |
| C27 | C2 | C3 | H5 | 174.1° | 48.8° |
| C27 | C2 | C1 | H6 | 180.0° | 60.2° |
| C27 | C2 | C1 | H7 | 60.0° | 59.7° |
| C27 | C2 | C1 | H8 | 60.0° | 179.7° |
| C2 | C27 | H21 | H22 | 120.6° | 120.7° |
| C6 | C5 | N10 | N8 | 0.6° | 0.1° |
| C6 | C5 | N10 | C4 | 179.5° | 179.9° |
| C6 | C5 | C4 | C3 | 11.0° | 16.7° |
| C6 | C5 | C4 | H1 | 109.1° | 102.9° |
| C6 | C5 | C4 | H2 | 131.2° | 136.4° |
| C5 | C6 | C27 | H21 | 100.5° | 103.4° |
| C5 | C6 | C27 | H22 | 139.1° | 135.9° |
| N8 | N10 | C5 | C4 | 179.9° | 179.9° |
| C1 | C2 | C3 | H9 | 117.9° | 119.8° |
| C1 | C2 | C3 | C4 | 173.4° | 168.5° |
| C1 | C2 | C3 | H4 | 66.3° | 48.3° |
| C1 | C2 | C3 | H5 | 53.2° | 71.4° |
| C2 | C1 | H6 | H7 | 120.0° | 119.9° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | C27 | H21 | 49.3° | 50.4° |
| C1 | C2 | C27 | H22 | 71.1° | 70.3° |
| N10 | C5 | C4 | C3 | 168.4° | 163.2° |
| N10 | C5 | C4 | H1 | 71.5° | 77.2° |
| N10 | C5 | C4 | H2 | 48.2° | 43.5° |
| C5 | N10 | N8 | H10 | 179.3° | 180.0° |
| C5 | C4 | C3 | C2 | 42.2° | 50.7° |
| C5 | C4 | C3 | H1 | 120.1° | 119.7° |
| C5 | C4 | C3 | H2 | 120.1° | 119.7° |
| C5 | C4 | H1 | H2 | 119.6° | 120.6° |
| C5 | C4 | C3 | H4 | 78.1° | 170.9° |
| C5 | C4 | C3 | H5 | 162.5° | 69.3° |
| C2 | C3 | C4 | H4 | 120.3° | 120.2° |
| C2 | C3 | C4 | H5 | 120.3° | 120.0° |
| C2 | C3 | C4 | H1 | 77.9° | 68.9° |
| C2 | C3 | C4 | H2 | 162.3° | 170.4° |
| C2 | C3 | H4 | H5 | 119.2° | 119.7° |
| C3 | C2 | C1 | H6 | 58.5° | 60.1° |
| C3 | C2 | C1 | H7 | 61.6° | 180.0° |
| C3 | C2 | C1 | H8 | 178.5° | 60.0° |
| C3 | C2 | C27 | H21 | 68.9° | 69.7° |
| C3 | C2 | C27 | H22 | 170.8° | 169.6° |
| C3 | C4 | H1 | H2 | 119.7° | 120.6° |
| C4 | C3 | H4 | H5 | 119.2° | 119.8° |
| C4 | C3 | C2 | H9 | 55.5° | 48.6° |
| H1 | C4 | C3 | H4 | 161.8° | 51.2° |
| H1 | C4 | C3 | H5 | 42.4° | 171.0° |
| H2 | C4 | C3 | H4 | 42.1° | 69.4° |
| H2 | C4 | C3 | H5 | 77.4° | 50.4° |
| H3 | C14 | N13 | H11 | 142.4° | 145.2° |
| H3 | C14 | C15 | H12 | 159.8° | 44.1° |
| H3 | C14 | C15 | H13 | 40.8° | 163.7° |
| H4 | C3 | C2 | H9 | 175.8° | 71.5° |
| H5 | C3 | C2 | H9 | 64.7° | 168.8° |
| H6 | C1 | H7 | H8 | 120.0° | 120.1° |
| H6 | C1 | C2 | H9 | 59.5° | 180.0° |
| H7 | C1 | C2 | H9 | 179.5° | 60.1° |
| H8 | C1 | C2 | H9 | 60.5° | 59.9° |
| H9 | C2 | C27 | H21 | 169.9° | 170.3° |
| H9 | C2 | C27 | H22 | 49.5° | 49.6° |
| H14 | C18 | C19 | H15 | 0.3° | 0.1° |
| H15 | C19 | C20 | H16 | 0.0° | 0.2° |
| H16 | C20 | C21 | H17 | 0.6° | 0.0° |
| H18 | C26 | H19 | H20 | 120.0° | 120.0° |
