LC3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C4 | doub | 1.22Å | 1.26Å | |
| O8 | C4 | sing | 1.35Å | 1.27Å | |
| C4 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C9 | doub | 1.40Å | 1.37Å | Aromatic |
| O24 | C19 | doub | 1.21Å | 1.25Å | |
| C5 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.46Å | |
| C19 | O25 | sing | 1.35Å | 1.26Å | |
| C19 | C17 | sing | 1.48Å | 1.54Å | |
| N16 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| N16 | N13 | sing | 1.29Å | 1.35Å | Aromatic |
| C12 | N13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.43Å | Aromatic |
| N13 | C14 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.44Å | Aromatic |
| C18 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.51Å | 1.48Å | |
| C14 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C15 | doub | 1.36Å | 1.34Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | O23 | sing | 1.43Å | 1.43Å | |
| O23 | C26 | sing | 1.36Å | 1.39Å | |
| C27 | C26 | doub | 1.37Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C31 | sing | 1.41Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.38Å | Aromatic |
| C31 | C35 | doub | 1.40Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.42Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.36Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.39Å | Aromatic |
| C30 | C32 | doub | 1.40Å | 1.38Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| O8 | H5 | sing | 0.97Å | 0.95Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| O25 | H15 | sing | 0.97Å | 0.95Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C4 | O8 | 125.0° | 120.0° |
| O7 | C4 | C1 | 118.4° | 120.0° |
| O8 | C4 | C1 | 116.6° | 120.0° |
| C4 | O8 | H5 | 109.5° | 117.0° |
| C4 | C1 | C3 | 117.9° | 120.0° |
| C4 | C1 | C2 | 123.1° | 120.0° |
| C3 | C1 | C2 | 119.0° | 120.0° |
| C1 | C3 | C6 | 120.8° | 120.0° |
| C1 | C3 | H2 | 119.6° | 120.0° |
| C1 | C2 | C5 | 120.2° | 120.0° |
| C1 | C2 | H1 | 119.9° | 119.9° |
| C3 | C6 | C9 | 120.4° | 120.0° |
| C6 | C3 | H2 | 119.6° | 120.0° |
| C3 | C6 | H4 | 119.8° | 120.0° |
| C2 | C5 | C9 | 120.0° | 120.0° |
| C5 | C2 | H1 | 119.9° | 120.1° |
| C2 | C5 | H3 | 120.0° | 120.0° |
| C6 | C9 | C5 | 119.5° | 120.0° |
| C6 | C9 | C12 | 117.4° | 120.0° |
| C9 | C6 | H4 | 119.8° | 120.0° |
| O24 | C19 | O25 | 125.9° | 120.0° |
| O24 | C19 | C17 | 116.2° | 119.9° |
| C5 | C9 | C12 | 123.1° | 120.0° |
| C9 | C5 | H3 | 120.0° | 120.0° |
| C9 | C12 | N13 | 122.2° | 119.7° |
| C9 | C12 | C11 | 118.8° | 119.8° |
| O25 | C19 | C17 | 117.8° | 120.0° |
| C19 | O25 | H15 | 109.5° | 117.0° |
| C19 | C17 | N16 | 119.2° | 126.1° |
| C19 | C17 | C18 | 128.7° | 126.2° |
| C17 | N16 | N13 | 105.5° | 111.1° |
| N16 | C17 | C18 | 112.1° | 107.7° |
| N16 | N13 | C12 | 125.5° | 131.3° |
| N16 | N13 | C14 | 111.1° | 109.2° |
| N13 | C12 | C11 | 118.9° | 120.5° |
| C12 | N13 | C14 | 123.4° | 119.5° |
| C12 | C11 | C10 | 119.5° | 120.5° |
| C12 | C11 | H7 | 120.3° | 119.7° |
| C17 | C18 | C14 | 103.2° | 105.2° |
| C17 | C18 | C20 | 129.8° | 127.3° |
| N13 | C14 | C18 | 108.2° | 106.8° |
| N13 | C14 | C15 | 117.7° | 120.4° |
| C11 | C10 | C15 | 121.2° | 119.6° |
| C11 | C10 | H6 | 119.4° | 120.3° |
| C10 | C11 | H7 | 120.2° | 119.8° |
| C14 | C18 | C20 | 127.0° | 127.5° |
| C18 | C14 | C15 | 134.2° | 132.8° |
| C18 | C20 | C21 | 112.4° | 109.5° |
| C18 | C20 | H9 | 108.7° | 109.4° |
| C18 | C20 | H10 | 108.7° | 109.6° |
| C14 | C15 | C10 | 119.3° | 119.5° |
| C14 | C15 | H8 | 120.3° | 120.3° |
| C15 | C10 | H6 | 119.4° | 120.2° |
| C10 | C15 | H8 | 120.3° | 120.2° |
| C20 | C21 | C22 | 115.3° | 109.4° |
| C21 | C20 | H9 | 108.8° | 109.4° |
| C21 | C20 | H10 | 108.7° | 109.5° |
| C20 | C21 | H11 | 108.0° | 109.4° |
| C20 | C21 | H12 | 108.0° | 109.5° |
| C21 | C22 | O23 | 108.5° | 109.4° |
| C22 | C21 | H11 | 108.0° | 109.5° |
| C22 | C21 | H12 | 108.0° | 109.5° |
| C21 | C22 | H13 | 109.7° | 109.5° |
| C21 | C22 | H14 | 109.7° | 109.5° |
| C22 | O23 | C26 | 112.4° | 117.0° |
| O23 | C22 | H13 | 109.7° | 109.5° |
| O23 | C22 | H14 | 109.7° | 109.4° |
| O23 | C26 | C27 | 122.8° | 120.3° |
| O23 | C26 | C31 | 116.2° | 120.2° |
| C26 | C27 | C28 | 120.7° | 120.9° |
| C27 | C26 | C31 | 121.0° | 119.5° |
| C26 | C27 | H16 | 119.6° | 119.5° |
| C27 | C28 | C29 | 118.8° | 121.1° |
| C28 | C27 | H16 | 119.6° | 119.6° |
| C27 | C28 | H17 | 120.6° | 119.4° |
| C26 | C31 | C35 | 120.0° | 121.3° |
| C26 | C31 | C30 | 118.5° | 119.3° |
| C28 | C29 | C30 | 120.3° | 119.8° |
| C29 | C28 | H17 | 120.6° | 119.5° |
| C28 | C29 | H18 | 119.9° | 120.1° |
| C35 | C31 | C30 | 121.5° | 119.4° |
| C31 | C35 | C34 | 119.4° | 119.6° |
| C31 | C35 | H22 | 120.3° | 120.2° |
| C31 | C30 | C29 | 120.7° | 119.4° |
| C31 | C30 | C32 | 119.1° | 119.3° |
| C35 | C34 | C33 | 118.9° | 121.0° |
| C35 | C34 | H21 | 120.5° | 119.5° |
| C34 | C35 | H22 | 120.3° | 120.2° |
| C29 | C30 | C32 | 120.2° | 121.3° |
| C30 | C29 | H18 | 119.8° | 120.1° |
| C30 | C32 | C33 | 119.4° | 119.7° |
| C30 | C32 | H19 | 120.3° | 120.2° |
| C34 | C33 | C32 | 121.6° | 121.0° |
| C34 | C33 | H20 | 119.2° | 119.5° |
| C33 | C34 | H21 | 120.5° | 119.5° |
| C33 | C32 | H19 | 120.3° | 120.2° |
| C32 | C33 | H20 | 119.2° | 119.5° |
| H9 | C20 | H10 | 109.4° | 109.5° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C4 | O8 | C1 | 178.2° | 179.9° |
| O7 | C4 | C1 | C3 | 165.5° | 0.0° |
| O7 | C4 | C1 | C2 | 14.3° | 179.7° |
| O7 | C4 | O8 | H5 | 0.0° | 0.1° |
| O8 | C4 | C1 | C3 | 16.1° | 180.0° |
| O8 | C4 | C1 | C2 | 164.0° | 0.3° |
| C4 | C1 | C3 | C2 | 179.8° | 179.7° |
| C4 | C1 | C3 | C6 | 179.4° | 179.7° |
| C4 | C1 | C2 | C5 | 179.2° | 179.7° |
| C4 | C1 | C2 | H1 | 0.9° | 0.3° |
| C4 | C1 | C3 | H2 | 0.6° | 0.3° |
| C1 | C4 | O8 | H5 | 178.2° | 180.0° |
| C1 | C3 | C6 | H2 | 180.0° | 180.0° |
| C3 | C1 | C2 | C5 | 1.0° | 0.0° |
| C1 | C3 | C6 | C9 | 0.3° | 0.0° |
| C3 | C1 | C2 | H1 | 179.0° | 180.0° |
| C1 | C3 | C6 | H4 | 179.7° | 179.9° |
| C2 | C1 | C3 | C6 | 0.8° | 0.0° |
| C1 | C2 | C5 | H1 | 180.0° | 180.0° |
| C1 | C2 | C5 | C9 | 0.2° | 0.0° |
| C2 | C1 | C3 | H2 | 179.2° | 180.0° |
| C1 | C2 | C5 | H3 | 179.8° | 180.0° |
| C3 | C6 | C9 | H4 | 180.0° | 179.9° |
| C3 | C6 | C9 | C5 | 1.1° | 0.0° |
| C3 | C6 | C9 | C12 | 177.2° | 180.0° |
| C2 | C5 | C9 | C6 | 0.9° | 0.0° |
| C2 | C5 | C9 | H3 | 180.0° | 180.0° |
| C2 | C5 | C9 | C12 | 177.4° | 180.0° |
| C6 | C9 | C5 | C12 | 178.3° | 180.0° |
| C6 | C9 | C12 | N13 | 63.4° | 65.0° |
| C6 | C9 | C12 | C11 | 114.5° | 114.9° |
| C9 | C6 | C3 | H2 | 179.7° | 180.0° |
| C6 | C9 | C5 | H3 | 179.1° | 180.0° |
| O24 | C19 | O25 | C17 | 175.9° | 180.0° |
| O24 | C19 | C17 | N16 | 32.9° | 180.0° |
| O24 | C19 | C17 | C18 | 147.9° | 0.1° |
| O24 | C19 | O25 | H15 | 0.0° | 0.0° |
| C5 | C9 | C12 | N13 | 118.3° | 115.0° |
| C5 | C9 | C12 | C11 | 63.8° | 65.0° |
| C9 | C5 | C2 | H1 | 179.8° | 180.0° |
| C5 | C9 | C6 | H4 | 178.9° | 179.9° |
| C9 | C12 | N13 | N16 | 2.1° | 0.0° |
| C9 | C12 | N13 | C11 | 177.9° | 179.9° |
| C9 | C12 | N13 | C14 | 178.2° | 180.0° |
| C9 | C12 | C11 | C10 | 178.5° | 180.0° |
| C12 | C9 | C5 | H3 | 2.6° | 0.0° |
| C12 | C9 | C6 | H4 | 2.8° | 0.1° |
| C9 | C12 | C11 | H7 | 1.5° | 0.0° |
| O25 | C19 | C17 | N16 | 143.4° | 0.0° |
| O25 | C19 | C17 | C18 | 35.9° | 180.0° |
| C19 | C17 | N16 | C18 | 179.4° | 180.0° |
| C19 | C17 | N16 | N13 | 179.3° | 180.0° |
| C19 | C17 | C18 | C14 | 179.5° | 180.0° |
| C19 | C17 | C18 | C20 | 1.0° | 0.0° |
| C17 | C19 | O25 | H15 | 175.9° | 180.0° |
| C17 | N16 | N13 | C12 | 179.4° | 180.0° |
| C17 | N16 | N13 | C14 | 0.3° | 0.0° |
| N16 | C17 | C18 | C14 | 0.2° | 0.0° |
| N16 | C17 | C18 | C20 | 179.7° | 180.0° |
| N16 | N13 | C12 | C14 | 179.7° | 180.0° |
| N16 | N13 | C12 | C11 | 180.0° | 179.9° |
| N13 | N16 | C17 | C18 | 0.1° | 0.0° |
| N16 | N13 | C14 | C18 | 0.4° | 0.0° |
| N16 | N13 | C14 | C15 | 179.8° | 180.0° |
| N13 | C12 | C11 | C10 | 0.6° | 0.1° |
| C12 | N13 | C14 | C18 | 179.3° | 180.0° |
| C12 | N13 | C14 | C15 | 0.1° | 0.0° |
| N13 | C12 | C11 | H7 | 179.5° | 180.0° |
| C11 | C12 | N13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.6° | 0.1° |
| C12 | C11 | C10 | H6 | 179.4° | 179.7° |
| C17 | C18 | C14 | N13 | 0.3° | 0.0° |
| C17 | C18 | C14 | C20 | 179.5° | 180.0° |
| C17 | C18 | C14 | C15 | 179.6° | 180.0° |
| C17 | C18 | C20 | C21 | 77.6° | 90.0° |
| C17 | C18 | C20 | H9 | 42.9° | 150.0° |
| C17 | C18 | C20 | H10 | 162.0° | 30.0° |
| N13 | C14 | C18 | C15 | 179.3° | 180.0° |
| N13 | C14 | C18 | C20 | 179.9° | 180.0° |
| N13 | C14 | C15 | C10 | 0.1° | 0.0° |
| N13 | C14 | C15 | H8 | 179.9° | 179.7° |
| C11 | C10 | C15 | C14 | 0.3° | 0.1° |
| C11 | C10 | C15 | H6 | 180.0° | 179.8° |
| C11 | C10 | C15 | H8 | 179.7° | 179.7° |
| C18 | C14 | C15 | C10 | 179.2° | 180.0° |
| C14 | C18 | C20 | C21 | 103.0° | 89.9° |
| C18 | C14 | C15 | H8 | 0.9° | 0.3° |
| C14 | C18 | C20 | H9 | 136.6° | 30.0° |
| C14 | C18 | C20 | H10 | 17.5° | 150.0° |
| C20 | C18 | C14 | C15 | 0.8° | 0.0° |
| C18 | C20 | C21 | H9 | 120.5° | 119.9° |
| C18 | C20 | C21 | H10 | 120.4° | 120.1° |
| C18 | C20 | C21 | C22 | 87.2° | 180.0° |
| C18 | C20 | H9 | H10 | 118.7° | 120.1° |
| C18 | C20 | C21 | H11 | 33.7° | 60.1° |
| C18 | C20 | C21 | H12 | 152.0° | 60.0° |
| C14 | C15 | C10 | H8 | 180.0° | 179.7° |
| C14 | C15 | C10 | H6 | 179.7° | 179.8° |
| C15 | C10 | C11 | H7 | 179.4° | 180.0° |
| C20 | C21 | C22 | H11 | 120.9° | 120.0° |
| C20 | C21 | C22 | H12 | 120.8° | 120.0° |
| C20 | C21 | C22 | O23 | 28.1° | 180.0° |
| C21 | C20 | H9 | H10 | 118.7° | 120.0° |
| C20 | C21 | H11 | H12 | 117.3° | 120.0° |
| C20 | C21 | C22 | H13 | 91.8° | 60.0° |
| C20 | C21 | C22 | H14 | 147.9° | 60.0° |
| C21 | C22 | O23 | H13 | 119.9° | 120.0° |
| C21 | C22 | O23 | H14 | 119.9° | 120.0° |
| C21 | C22 | O23 | C26 | 174.4° | 180.0° |
| C22 | C21 | C20 | H9 | 152.4° | 60.1° |
| C22 | C21 | C20 | H10 | 33.3° | 59.9° |
| C22 | C21 | H11 | H12 | 117.3° | 120.0° |
| C21 | C22 | H13 | H14 | 120.4° | 120.1° |
| C22 | O23 | C26 | C27 | 32.9° | 0.3° |
| C22 | O23 | C26 | C31 | 148.9° | 180.0° |
| O23 | C22 | C21 | H11 | 148.9° | 60.0° |
| O23 | C22 | C21 | H12 | 92.8° | 60.0° |
| O23 | C22 | H13 | H14 | 120.4° | 120.0° |
| O23 | C26 | C27 | C31 | 178.1° | 179.8° |
| O23 | C26 | C27 | C28 | 179.7° | 180.0° |
| O23 | C26 | C31 | C35 | 0.6° | 0.0° |
| O23 | C26 | C31 | C30 | 179.7° | 179.7° |
| C26 | O23 | C22 | H13 | 54.6° | 60.0° |
| C26 | O23 | C22 | H14 | 65.7° | 60.0° |
| O23 | C26 | C27 | H16 | 0.3° | 0.0° |
| C26 | C27 | C28 | H16 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.0° | 0.0° |
| C27 | C26 | C31 | C35 | 178.8° | 179.8° |
| C27 | C26 | C31 | C30 | 1.4° | 0.5° |
| C26 | C27 | C28 | H17 | 179.0° | 180.0° |
| C28 | C27 | C26 | C31 | 1.6° | 0.3° |
| C27 | C28 | C29 | H17 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.3° | 0.0° |
| C27 | C28 | C29 | H18 | 179.7° | 180.0° |
| C26 | C31 | C35 | C30 | 179.7° | 179.7° |
| C26 | C31 | C35 | C34 | 179.6° | 179.2° |
| C26 | C31 | C30 | C29 | 0.8° | 0.5° |
| C26 | C31 | C30 | C32 | 179.9° | 179.7° |
| C31 | C26 | C27 | H16 | 178.4° | 179.8° |
| C26 | C31 | C35 | H22 | 0.4° | 0.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.3° |
| C28 | C29 | C30 | H18 | 180.0° | 180.0° |
| C28 | C29 | C30 | C32 | 179.5° | 180.0° |
| C29 | C28 | C27 | H16 | 179.0° | 180.0° |
| C31 | C35 | C34 | H22 | 180.0° | 179.2° |
| C35 | C31 | C30 | C29 | 179.5° | 179.7° |
| C35 | C31 | C30 | C32 | 0.2° | 0.0° |
| C31 | C35 | C34 | C33 | 0.6° | 0.9° |
| C31 | C35 | C34 | H21 | 179.4° | 179.7° |
| C30 | C31 | C35 | C34 | 0.1° | 0.6° |
| C31 | C30 | C29 | C32 | 179.3° | 179.7° |
| C31 | C30 | C32 | C33 | 0.0° | 0.3° |
| C31 | C30 | C29 | H18 | 179.8° | 179.7° |
| C31 | C30 | C32 | H19 | 180.0° | 179.8° |
| C30 | C31 | C35 | H22 | 179.8° | 179.8° |
| C35 | C34 | C33 | H21 | 180.0° | 179.5° |
| C35 | C34 | C33 | C32 | 0.8° | 0.6° |
| C35 | C34 | C33 | H20 | 179.2° | 179.4° |
| C29 | C30 | C32 | C33 | 179.3° | 180.0° |
| C30 | C29 | C28 | H17 | 179.7° | 180.0° |
| C29 | C30 | C32 | H19 | 0.7° | 0.0° |
| C30 | C32 | C33 | C34 | 0.5° | 0.0° |
| C30 | C32 | C33 | H19 | 180.0° | 179.9° |
| C32 | C30 | C29 | H18 | 0.5° | 0.0° |
| C30 | C32 | C33 | H20 | 179.5° | 180.0° |
| C34 | C33 | C32 | H20 | 180.0° | 180.0° |
| C34 | C33 | C32 | H19 | 179.5° | 180.0° |
| C33 | C34 | C35 | H22 | 179.4° | 180.0° |
| C32 | C33 | C34 | H21 | 179.2° | 180.0° |
| H1 | C2 | C5 | H3 | 0.2° | 0.0° |
| H2 | C3 | C6 | H4 | 0.3° | 0.1° |
| H6 | C10 | C11 | H7 | 0.6° | 0.2° |
| H6 | C10 | C15 | H8 | 0.3° | 0.1° |
| H9 | C20 | C21 | H11 | 86.8° | 180.0° |
| H9 | C20 | C21 | H12 | 31.5° | 59.9° |
| H10 | C20 | C21 | H11 | 154.1° | 60.1° |
| H10 | C20 | C21 | H12 | 87.6° | 179.9° |
| H11 | C21 | C22 | H13 | 29.1° | 180.0° |
| H11 | C21 | C22 | H14 | 91.2° | 60.0° |
| H12 | C21 | C22 | H13 | 147.4° | 60.0° |
| H12 | C21 | C22 | H14 | 27.1° | 180.0° |
| H16 | C27 | C28 | H17 | 1.0° | 0.0° |
| H17 | C28 | C29 | H18 | 0.3° | 0.1° |
| H19 | C32 | C33 | H20 | 0.5° | 0.1° |
| H20 | C33 | C34 | H21 | 0.8° | 0.1° |
| H21 | C34 | C35 | H22 | 0.6° | 0.5° |
