LNU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | O24 | sing | 1.43Å | 1.43Å | |
| O24 | C22 | sing | 1.36Å | 1.38Å | |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | O26 | sing | 1.36Å | 1.38Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| N2 | O1 | sing | 1.21Å | 1.36Å | Aromatic |
| N2 | C3 | doub | 1.30Å | 1.30Å | Aromatic |
| O26 | C27 | sing | 1.43Å | 1.43Å | |
| C17 | N11 | sing | 1.47Å | 1.49Å | |
| O1 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| O15 | C14 | doub | 1.22Å | 1.24Å | |
| N11 | C6 | sing | 1.37Å | 1.42Å | Aromatic |
| N11 | C13 | sing | 1.37Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.46Å | |
| C4 | C10 | sing | 1.49Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.46Å | 1.46Å | |
| C14 | O16 | sing | 1.35Å | 1.36Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| O16 | C28 | sing | 1.43Å | 1.43Å | |
| C7 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.50Å | 1.50Å | |
| C10 | C9 | sing | 1.50Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.50Å | 1.54Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O24 | C22 | 118.9° | 117.0° |
| O24 | C25 | H14 | 109.5° | 109.5° |
| O24 | C25 | H15 | 109.5° | 109.4° |
| O24 | C25 | H16 | 109.5° | 109.5° |
| O24 | C22 | C21 | 122.2° | 120.0° |
| O24 | C22 | C23 | 117.3° | 120.0° |
| C21 | C22 | C23 | 120.5° | 119.9° |
| C22 | C21 | C20 | 118.8° | 119.9° |
| C22 | C21 | H12 | 120.6° | 120.1° |
| C22 | C23 | C18 | 120.4° | 120.1° |
| C22 | C23 | H13 | 119.8° | 120.0° |
| C21 | C20 | O26 | 117.0° | 120.0° |
| C21 | C20 | C19 | 121.0° | 119.9° |
| C20 | C21 | H12 | 120.6° | 120.0° |
| C23 | C18 | C19 | 119.6° | 120.1° |
| C23 | C18 | C17 | 118.8° | 120.0° |
| C18 | C23 | H13 | 119.8° | 119.9° |
| O26 | C20 | C19 | 122.1° | 120.1° |
| C20 | O26 | C27 | 119.2° | 117.0° |
| C20 | C19 | C18 | 119.7° | 120.1° |
| C20 | C19 | H11 | 120.2° | 120.0° |
| C19 | C18 | C17 | 121.6° | 120.0° |
| C18 | C19 | H11 | 120.1° | 119.9° |
| C18 | C17 | N11 | 111.9° | 109.5° |
| C18 | C17 | H9 | 108.8° | 109.5° |
| C18 | C17 | H10 | 108.8° | 109.5° |
| O1 | N2 | C3 | 107.1° | 111.9° |
| N2 | O1 | C5 | 109.8° | 111.3° |
| N2 | C3 | C4 | 110.9° | 106.4° |
| N2 | C3 | H8 | 124.5° | 126.8° |
| O26 | C27 | H17 | 109.5° | 109.5° |
| O26 | C27 | H18 | 109.5° | 109.5° |
| O26 | C27 | H19 | 109.5° | 109.5° |
| C17 | N11 | C6 | 125.6° | 125.6° |
| C17 | N11 | C13 | 126.1° | 125.6° |
| N11 | C17 | H9 | 108.8° | 109.5° |
| N11 | C17 | H10 | 108.9° | 109.5° |
| O1 | C5 | C4 | 106.4° | 106.0° |
| O1 | C5 | C6 | 123.0° | 124.9° |
| C3 | C4 | C5 | 105.8° | 104.3° |
| C3 | C4 | C10 | 124.1° | 126.4° |
| C4 | C3 | H8 | 124.6° | 126.8° |
| O15 | C14 | C13 | 126.2° | 120.0° |
| O15 | C14 | O16 | 117.8° | 120.0° |
| C6 | N11 | C13 | 108.4° | 108.7° |
| N11 | C6 | C5 | 126.3° | 123.6° |
| N11 | C6 | C7 | 106.7° | 108.2° |
| N11 | C13 | C14 | 127.0° | 126.1° |
| N11 | C13 | C12 | 106.3° | 107.9° |
| C4 | C5 | C6 | 130.5° | 129.0° |
| C5 | C4 | C10 | 130.1° | 129.2° |
| C5 | C6 | C7 | 127.0° | 128.2° |
| C4 | C10 | C9 | 114.0° | 113.2° |
| C4 | C10 | H5 | 108.3° | 108.7° |
| C4 | C10 | H6 | 108.4° | 108.7° |
| C6 | C7 | C12 | 109.1° | 107.5° |
| C6 | C7 | C8 | 126.5° | 128.3° |
| C13 | C14 | O16 | 115.5° | 120.0° |
| C14 | C13 | C12 | 126.7° | 126.0° |
| C14 | O16 | C28 | 118.2° | 117.0° |
| C13 | C12 | C7 | 109.5° | 107.7° |
| C13 | C12 | H7 | 125.2° | 126.2° |
| O16 | C28 | C29 | 109.3° | 109.4° |
| O16 | C28 | H20 | 109.5° | 109.5° |
| O16 | C28 | H21 | 109.5° | 109.5° |
| C12 | C7 | C8 | 124.4° | 124.2° |
| C7 | C12 | H7 | 125.3° | 126.1° |
| C7 | C8 | C9 | 111.4° | 114.0° |
| C7 | C8 | H1 | 109.0° | 108.6° |
| C7 | C8 | H2 | 109.0° | 108.6° |
| C10 | C9 | C8 | 112.2° | 114.4° |
| C10 | C9 | H3 | 108.8° | 108.5° |
| C10 | C9 | H4 | 108.8° | 108.4° |
| C9 | C10 | H5 | 108.3° | 108.7° |
| C9 | C10 | H6 | 108.3° | 108.7° |
| C29 | C28 | H20 | 109.5° | 109.5° |
| C29 | C28 | H21 | 109.5° | 109.4° |
| C28 | C29 | H22 | 109.5° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.6° |
| C28 | C29 | H24 | 109.5° | 109.5° |
| C9 | C8 | H1 | 109.0° | 108.6° |
| C9 | C8 | H2 | 109.0° | 108.4° |
| C8 | C9 | H3 | 108.8° | 108.5° |
| C8 | C9 | H4 | 108.8° | 108.5° |
| H1 | C8 | H2 | 109.5° | 108.5° |
| H3 | C9 | H4 | 109.5° | 108.4° |
| H5 | C10 | H6 | 109.4° | 108.7° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H14 | C25 | H16 | 109.4° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.4° |
| H17 | C27 | H19 | 109.4° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H24 | 109.5° | 109.4° |
| H23 | C29 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | O24 | C22 | C21 | 127.9° | 0.0° |
| C25 | O24 | C22 | C23 | 52.1° | 179.8° |
| O24 | C25 | H14 | H15 | 120.0° | 120.0° |
| O24 | C25 | H14 | H16 | 120.0° | 120.0° |
| O24 | C25 | H15 | H16 | 120.0° | 120.0° |
| O24 | C22 | C21 | C23 | 180.0° | 179.7° |
| O24 | C22 | C21 | C20 | 180.0° | 180.0° |
| O24 | C22 | C23 | C18 | 179.9° | 179.7° |
| O24 | C22 | C21 | H12 | 0.0° | 0.0° |
| O24 | C22 | C23 | H13 | 0.2° | 0.2° |
| C22 | O24 | C25 | H14 | 180.0° | 60.0° |
| C22 | O24 | C25 | H15 | 60.0° | 180.0° |
| C22 | O24 | C25 | H16 | 60.0° | 60.0° |
| C22 | C21 | C20 | H12 | 180.0° | 179.9° |
| C21 | C22 | C23 | C18 | 0.1° | 0.5° |
| C22 | C21 | C20 | O26 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C21 | C22 | C23 | H13 | 179.8° | 179.9° |
| C23 | C22 | C21 | C20 | 0.0° | 0.3° |
| C22 | C23 | C18 | H13 | 180.0° | 179.5° |
| C22 | C23 | C18 | C19 | 0.3° | 0.5° |
| C22 | C23 | C18 | C17 | 179.8° | 179.7° |
| C23 | C22 | C21 | H12 | 179.9° | 179.8° |
| C21 | C20 | O26 | C19 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C21 | C20 | O26 | C27 | 165.7° | 0.0° |
| C21 | C20 | C19 | H11 | 179.8° | 180.0° |
| C23 | C18 | C19 | C20 | 0.3° | 0.3° |
| C23 | C18 | C19 | C17 | 179.5° | 179.7° |
| C23 | C18 | C17 | N11 | 157.8° | 90.3° |
| C23 | C18 | C17 | H9 | 81.9° | 29.7° |
| C23 | C18 | C17 | H10 | 37.4° | 149.7° |
| C23 | C18 | C19 | H11 | 179.7° | 179.7° |
| O26 | C20 | C19 | C18 | 179.9° | 180.0° |
| O26 | C20 | C19 | H11 | 0.1° | 0.1° |
| O26 | C20 | C21 | H12 | 0.0° | 0.0° |
| C20 | O26 | C27 | H17 | 180.0° | 60.0° |
| C20 | O26 | C27 | H18 | 60.0° | 60.0° |
| C20 | O26 | C27 | H19 | 60.0° | 180.0° |
| C20 | C19 | C18 | H11 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.8° | 180.0° |
| C19 | C20 | O26 | C27 | 14.3° | 180.0° |
| C19 | C20 | C21 | H12 | 179.9° | 180.0° |
| C19 | C18 | C17 | N11 | 22.7° | 90.0° |
| C19 | C18 | C17 | H9 | 97.7° | 150.0° |
| C19 | C18 | C17 | H10 | 143.1° | 30.0° |
| C19 | C18 | C23 | H13 | 179.7° | 180.0° |
| C18 | C17 | N11 | H9 | 120.4° | 120.0° |
| C18 | C17 | N11 | H10 | 120.4° | 120.0° |
| C18 | C17 | N11 | C6 | 95.2° | 90.0° |
| C18 | C17 | N11 | C13 | 84.8° | 90.0° |
| C18 | C17 | H9 | H10 | 118.9° | 120.0° |
| C17 | C18 | C19 | H11 | 0.2° | 0.0° |
| C17 | C18 | C23 | H13 | 0.2° | 0.2° |
| O1 | N2 | C3 | C4 | 0.1° | 0.2° |
| N2 | O1 | C5 | C4 | 0.0° | 0.5° |
| N2 | O1 | C5 | C6 | 180.0° | 179.2° |
| O1 | N2 | C3 | H8 | 179.9° | 180.0° |
| C3 | N2 | O1 | C5 | 0.1° | 0.4° |
| N2 | C3 | C4 | H8 | 180.0° | 179.9° |
| N2 | C3 | C4 | C5 | 0.2° | 0.1° |
| N2 | C3 | C4 | C10 | 179.8° | 179.5° |
| O26 | C27 | H17 | H18 | 120.0° | 120.0° |
| O26 | C27 | H17 | H19 | 120.0° | 120.0° |
| O26 | C27 | H18 | H19 | 120.0° | 120.0° |
| C17 | N11 | C6 | C13 | 179.9° | 180.0° |
| C17 | N11 | C6 | C5 | 0.1° | 0.4° |
| C17 | N11 | C6 | C7 | 179.9° | 179.6° |
| C17 | N11 | C13 | C14 | 0.1° | 0.3° |
| C17 | N11 | C13 | C12 | 179.9° | 179.8° |
| N11 | C17 | H9 | H10 | 118.9° | 120.0° |
| O1 | C5 | C4 | C3 | 0.1° | 0.3° |
| O1 | C5 | C6 | N11 | 10.2° | 0.3° |
| O1 | C5 | C4 | C6 | 180.0° | 179.7° |
| O1 | C5 | C4 | C10 | 179.7° | 179.3° |
| O1 | C5 | C6 | C7 | 169.8° | 179.7° |
| C3 | C4 | C5 | C10 | 179.6° | 179.6° |
| C3 | C4 | C5 | C6 | 179.9° | 179.4° |
| C3 | C4 | C10 | C9 | 158.7° | 147.0° |
| C3 | C4 | C10 | H5 | 38.0° | 26.1° |
| C3 | C4 | C10 | H6 | 80.7° | 92.1° |
| O15 | C14 | C13 | N11 | 0.1° | 180.0° |
| O15 | C14 | C13 | O16 | 172.0° | 180.0° |
| O15 | C14 | C13 | C12 | 180.0° | 0.0° |
| O15 | C14 | O16 | C28 | 71.5° | 0.0° |
| N11 | C6 | C5 | C4 | 169.8° | 179.9° |
| N11 | C6 | C5 | C7 | 180.0° | 179.9° |
| C6 | N11 | C13 | C14 | 180.0° | 179.7° |
| C6 | N11 | C13 | C12 | 0.0° | 0.3° |
| N11 | C6 | C7 | C12 | 0.0° | 0.4° |
| N11 | C6 | C7 | C8 | 180.0° | 179.4° |
| C6 | N11 | C17 | H9 | 144.4° | 30.0° |
| C6 | N11 | C17 | H10 | 25.2° | 150.0° |
| C13 | N11 | C6 | C5 | 180.0° | 179.6° |
| C13 | N11 | C6 | C7 | 0.0° | 0.4° |
| N11 | C13 | C14 | C12 | 179.9° | 180.0° |
| N11 | C13 | C14 | O16 | 172.1° | 0.0° |
| N11 | C13 | C12 | C7 | 0.1° | 0.0° |
| N11 | C13 | C12 | H7 | 179.9° | 180.0° |
| C13 | N11 | C17 | H9 | 35.5° | 150.0° |
| C13 | N11 | C17 | H10 | 154.8° | 30.0° |
| C4 | C5 | C6 | C7 | 10.2° | 0.0° |
| C5 | C4 | C10 | C9 | 21.8° | 33.4° |
| C5 | C4 | C10 | H5 | 142.4° | 154.4° |
| C5 | C4 | C10 | H6 | 98.9° | 87.5° |
| C5 | C4 | C3 | H8 | 179.9° | 179.7° |
| C6 | C5 | C4 | C10 | 0.3° | 1.0° |
| C5 | C6 | C7 | C12 | 180.0° | 179.6° |
| C5 | C6 | C7 | C8 | 0.1° | 0.7° |
| C4 | C10 | C9 | H5 | 120.7° | 120.9° |
| C4 | C10 | C9 | H6 | 120.7° | 120.9° |
| C4 | C10 | C9 | C8 | 68.7° | 76.0° |
| C4 | C10 | C9 | H3 | 51.7° | 162.6° |
| C4 | C10 | C9 | H4 | 171.0° | 45.2° |
| C4 | C10 | H5 | H6 | 118.0° | 118.2° |
| C10 | C4 | C3 | H8 | 0.2° | 0.6° |
| C6 | C7 | C12 | C13 | 0.0° | 0.2° |
| C6 | C7 | C12 | C8 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 45.5° | 33.1° |
| C6 | C7 | C8 | H1 | 74.7° | 88.1° |
| C6 | C7 | C8 | H2 | 165.8° | 154.1° |
| C6 | C7 | C12 | H7 | 180.0° | 179.8° |
| C13 | C14 | O16 | C28 | 115.7° | 180.0° |
| C14 | C13 | C12 | C7 | 180.0° | 180.0° |
| C14 | C13 | C12 | H7 | 0.0° | 0.0° |
| O16 | C14 | C13 | C12 | 7.9° | 180.0° |
| C14 | O16 | C28 | C29 | 169.1° | 180.0° |
| C14 | O16 | C28 | H20 | 70.9° | 60.0° |
| C14 | O16 | C28 | H21 | 49.2° | 60.0° |
| C13 | C12 | C7 | H7 | 180.0° | 180.0° |
| C13 | C12 | C7 | C8 | 179.9° | 179.5° |
| O16 | C28 | C29 | H20 | 120.0° | 120.0° |
| O16 | C28 | C29 | H21 | 120.0° | 120.0° |
| O16 | C28 | H20 | H21 | 120.1° | 120.0° |
| O16 | C28 | C29 | H22 | 180.0° | 60.1° |
| O16 | C28 | C29 | H23 | 60.0° | 60.0° |
| O16 | C28 | C29 | H24 | 60.0° | 180.0° |
| C12 | C7 | C8 | C9 | 134.5° | 147.2° |
| C12 | C7 | C8 | H1 | 105.2° | 91.6° |
| C12 | C7 | C8 | H2 | 14.2° | 26.2° |
| C7 | C8 | C9 | C10 | 85.2° | 76.2° |
| C7 | C8 | C9 | H1 | 120.3° | 121.2° |
| C7 | C8 | C9 | H2 | 120.3° | 121.1° |
| C7 | C8 | H1 | H2 | 119.1° | 117.9° |
| C7 | C8 | C9 | H3 | 35.2° | 162.4° |
| C7 | C8 | C9 | H4 | 154.4° | 44.9° |
| C8 | C7 | C12 | H7 | 0.1° | 0.5° |
| C10 | C9 | C8 | H3 | 120.4° | 121.3° |
| C10 | C9 | C8 | H4 | 120.4° | 121.1° |
| C10 | C9 | C8 | H1 | 35.1° | 44.9° |
| C10 | C9 | C8 | H2 | 154.6° | 162.7° |
| C10 | C9 | H3 | H4 | 118.8° | 117.5° |
| C9 | C10 | H5 | H6 | 117.9° | 118.2° |
| C29 | C28 | H20 | H21 | 120.1° | 120.0° |
| C28 | C29 | H22 | H23 | 120.0° | 120.1° |
| C28 | C29 | H22 | H24 | 120.0° | 119.9° |
| C28 | C29 | H23 | H24 | 120.0° | 120.0° |
| C9 | C8 | H1 | H2 | 119.1° | 117.7° |
| C8 | C9 | H3 | H4 | 118.8° | 117.6° |
| C8 | C9 | C10 | H5 | 170.7° | 163.0° |
| C8 | C9 | C10 | H6 | 52.1° | 44.9° |
| H1 | C8 | C9 | H3 | 155.5° | 76.4° |
| H1 | C8 | C9 | H4 | 85.3° | 166.0° |
| H2 | C8 | C9 | H3 | 85.0° | 41.3° |
| H2 | C8 | C9 | H4 | 34.2° | 76.2° |
| H3 | C9 | C10 | H5 | 68.9° | 41.7° |
| H3 | C9 | C10 | H6 | 172.4° | 76.4° |
| H4 | C9 | C10 | H5 | 50.3° | 75.8° |
| H4 | C9 | C10 | H6 | 68.3° | 166.1° |
| H14 | C25 | H15 | H16 | 120.0° | 120.0° |
| H17 | C27 | H18 | H19 | 119.9° | 120.0° |
| H20 | C28 | C29 | H22 | 60.0° | 60.0° |
| H20 | C28 | C29 | H23 | 180.0° | 180.0° |
| H20 | C28 | C29 | H24 | 60.0° | 59.9° |
| H21 | C28 | C29 | H22 | 60.1° | 180.0° |
| H21 | C28 | C29 | H23 | 60.0° | 60.0° |
| H21 | C28 | C29 | H24 | 180.0° | 60.1° |
| H22 | C29 | H23 | H24 | 120.0° | 119.9° |
