5LC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | O26 | sing | 1.36Å | 1.33Å | |
| C3 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | O25 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C4 | C7 | sing | 1.47Å | 1.50Å | |
| C5 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C7 | N8 | sing | 1.35Å | 1.35Å | |
| C7 | O9 | doub | 1.22Å | 1.24Å | |
| N8 | C10 | sing | 1.46Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C23 | sing | 1.53Å | 1.49Å | |
| N14 | C15 | sing | 1.35Å | 1.35Å | |
| N14 | C13 | sing | 1.46Å | 1.47Å | |
| C15 | C16 | sing | 1.47Å | 1.51Å | |
| C15 | O17 | doub | 1.22Å | 1.24Å | |
| C16 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | O23 | sing | 1.36Å | 1.37Å | |
| C19 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | O24 | sing | 1.36Å | 1.34Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
| C23 | C13 | sing | 1.53Å | 1.53Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.0° | 120.3° |
| C1 | C2 | C3 | 121.9° | 120.0° |
| C1 | C2 | O26 | 117.5° | 120.0° |
| C2 | C1 | H1 | 121.0° | 119.8° |
| C1 | C6 | C5 | 120.3° | 120.4° |
| C6 | C1 | H1 | 121.0° | 119.8° |
| C1 | C6 | H6 | 119.8° | 119.9° |
| C3 | C2 | O26 | 119.9° | 120.0° |
| C2 | C3 | C4 | 118.1° | 119.7° |
| C2 | C3 | O25 | 118.1° | 120.2° |
| C2 | O26 | H26 | 109.5° | 114.0° |
| C4 | C3 | O25 | 123.1° | 120.1° |
| C3 | C4 | C5 | 117.7° | 119.6° |
| C3 | C4 | C7 | 121.9° | 120.2° |
| C3 | O25 | H25 | 109.5° | 114.0° |
| C5 | C4 | C7 | 120.3° | 120.2° |
| C4 | C5 | C6 | 122.8° | 120.0° |
| C4 | C5 | H5 | 118.6° | 120.0° |
| C4 | C7 | N8 | 115.9° | 120.0° |
| C4 | C7 | O9 | 123.4° | 120.0° |
| C5 | C6 | H6 | 119.9° | 119.8° |
| C6 | C5 | H5 | 118.6° | 120.0° |
| N8 | C7 | O9 | 120.0° | 120.0° |
| C7 | N8 | C10 | 121.4° | 120.0° |
| C7 | N8 | H8 | 119.3° | 120.0° |
| N8 | C10 | C11 | 112.9° | 109.5° |
| C10 | N8 | H8 | 119.3° | 120.0° |
| N8 | C10 | H101 | 108.6° | 109.4° |
| N8 | C10 | H102 | 108.6° | 109.5° |
| C10 | C11 | C12 | 119.6° | 109.4° |
| C11 | C10 | H101 | 108.6° | 109.5° |
| C11 | C10 | H102 | 108.6° | 109.4° |
| C10 | C11 | H111 | 106.8° | 109.5° |
| C10 | C11 | H112 | 106.9° | 109.5° |
| C11 | C12 | C23 | 115.1° | 109.4° |
| C12 | C11 | H111 | 106.9° | 109.5° |
| C12 | C11 | H112 | 106.9° | 109.5° |
| C11 | C12 | H121 | 108.1° | 109.5° |
| C11 | C12 | H122 | 108.1° | 109.5° |
| C12 | C23 | C13 | 118.6° | 109.4° |
| C23 | C12 | H121 | 108.0° | 109.4° |
| C23 | C12 | H122 | 108.0° | 109.5° |
| C12 | C23 | H231 | 107.1° | 109.4° |
| C12 | C23 | H232 | 107.1° | 109.5° |
| C15 | N14 | C13 | 124.7° | 120.0° |
| N14 | C15 | C16 | 115.6° | 120.0° |
| N14 | C15 | O17 | 121.7° | 120.0° |
| C15 | N14 | H14 | 117.6° | 120.0° |
| N14 | C13 | C23 | 111.7° | 109.5° |
| C13 | N14 | H14 | 117.7° | 120.0° |
| N14 | C13 | H131 | 108.9° | 109.5° |
| N14 | C13 | H132 | 108.9° | 109.5° |
| C16 | C15 | O17 | 122.5° | 120.0° |
| C15 | C16 | C18 | 122.4° | 120.2° |
| C15 | C16 | C22 | 119.2° | 120.2° |
| C18 | C16 | C22 | 118.3° | 119.6° |
| C16 | C18 | C19 | 120.3° | 119.7° |
| C16 | C18 | O23 | 125.2° | 120.1° |
| C16 | C22 | C21 | 119.8° | 120.0° |
| C16 | C22 | H22 | 120.1° | 120.0° |
| C19 | C18 | O23 | 114.3° | 120.2° |
| C18 | C19 | C20 | 119.5° | 120.0° |
| C18 | C19 | O24 | 118.8° | 120.0° |
| C18 | O23 | H23 | 109.5° | 114.0° |
| C20 | C19 | O24 | 121.3° | 120.0° |
| C19 | C20 | C21 | 119.0° | 120.3° |
| C19 | C20 | H20 | 120.5° | 119.8° |
| C19 | O24 | H24 | 109.5° | 114.0° |
| C20 | C21 | C22 | 122.3° | 120.4° |
| C21 | C20 | H20 | 120.5° | 119.8° |
| C20 | C21 | H21 | 118.9° | 119.9° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C22 | C21 | H21 | 118.8° | 119.8° |
| C13 | C23 | H231 | 107.2° | 109.5° |
| C13 | C23 | H232 | 107.2° | 109.5° |
| C23 | C13 | H131 | 108.9° | 109.5° |
| C23 | C13 | H132 | 108.9° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | O26 | 169.8° | 179.9° |
| C1 | C2 | C3 | C4 | 13.9° | 0.0° |
| C1 | C2 | C3 | O25 | 175.6° | 179.9° |
| C2 | C1 | C6 | C5 | 5.5° | 0.1° |
| C2 | C1 | C6 | H6 | 174.5° | 180.0° |
| C1 | C2 | O26 | H26 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 11.8° | 0.0° |
| C6 | C1 | C2 | O26 | 178.2° | 180.0° |
| C1 | C6 | C5 | C4 | 1.9° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 178.1° | 180.0° |
| C2 | C3 | C4 | O25 | 170.0° | 180.0° |
| C2 | C3 | C4 | C5 | 9.7° | 0.0° |
| C2 | C3 | C4 | C7 | 167.1° | 180.0° |
| C3 | C2 | C1 | H1 | 168.2° | 179.7° |
| C3 | C2 | O26 | H26 | 9.8° | 90.0° |
| C2 | C3 | O25 | H25 | 180.0° | 90.0° |
| O26 | C2 | C3 | C4 | 176.4° | 180.0° |
| O26 | C2 | C3 | O25 | 5.9° | 0.0° |
| O26 | C2 | C1 | H1 | 1.8° | 0.4° |
| C3 | C4 | C5 | C7 | 176.8° | 179.9° |
| C3 | C4 | C5 | C6 | 3.9° | 0.1° |
| C3 | C4 | C7 | N8 | 9.2° | 180.0° |
| C3 | C4 | C7 | O9 | 179.3° | 0.0° |
| C4 | C3 | O25 | H25 | 10.0° | 90.0° |
| C3 | C4 | C5 | H5 | 176.1° | 180.0° |
| O25 | C3 | C4 | C5 | 179.6° | 179.9° |
| O25 | C3 | C4 | C7 | 2.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C7 | N8 | 167.4° | 0.0° |
| C5 | C4 | C7 | O9 | 2.6° | 179.9° |
| C4 | C5 | C6 | H6 | 178.1° | 180.0° |
| C7 | C4 | C5 | C6 | 172.9° | 180.0° |
| C4 | C7 | N8 | O9 | 170.4° | 180.0° |
| C4 | C7 | N8 | C10 | 159.6° | 180.0° |
| C7 | C4 | C5 | H5 | 7.1° | 0.1° |
| C4 | C7 | N8 | H8 | 20.4° | 0.1° |
| C5 | C6 | C1 | H1 | 174.5° | 179.7° |
| C7 | N8 | C10 | H8 | 180.0° | 179.9° |
| C7 | N8 | C10 | C11 | 175.1° | 180.0° |
| C7 | N8 | C10 | H101 | 64.4° | 60.1° |
| C7 | N8 | C10 | H102 | 54.6° | 60.0° |
| O9 | C7 | N8 | C10 | 10.7° | 0.1° |
| O9 | C7 | N8 | H8 | 169.3° | 180.0° |
| N8 | C10 | C11 | H101 | 120.5° | 120.0° |
| N8 | C10 | C11 | H102 | 120.5° | 120.0° |
| N8 | C10 | C11 | C12 | 51.5° | 180.0° |
| N8 | C10 | H101 | H102 | 118.4° | 120.1° |
| N8 | C10 | C11 | H111 | 69.9° | 60.0° |
| N8 | C10 | C11 | H112 | 172.9° | 60.0° |
| C10 | C11 | C12 | H111 | 121.4° | 120.0° |
| C10 | C11 | C12 | H112 | 121.4° | 120.0° |
| C10 | C11 | C12 | C23 | 58.9° | 180.0° |
| C11 | C10 | N8 | H8 | 4.9° | 0.1° |
| C11 | C10 | H101 | H102 | 118.4° | 119.9° |
| C10 | C11 | H111 | H112 | 115.4° | 120.0° |
| C10 | C11 | C12 | H121 | 61.9° | 60.0° |
| C10 | C11 | C12 | H122 | 179.7° | 60.0° |
| C11 | C12 | C23 | H121 | 120.8° | 119.9° |
| C11 | C12 | C23 | H122 | 120.8° | 120.0° |
| C11 | C12 | C23 | C13 | 170.5° | 180.0° |
| C12 | C11 | C10 | H101 | 172.0° | 60.0° |
| C12 | C11 | C10 | H102 | 69.0° | 60.0° |
| C12 | C11 | H111 | H112 | 115.4° | 120.0° |
| C11 | C12 | H121 | H122 | 117.5° | 120.0° |
| C11 | C12 | C23 | H231 | 49.2° | 60.0° |
| C11 | C12 | C23 | H232 | 68.2° | 60.0° |
| C12 | C23 | C13 | N14 | 60.6° | 179.9° |
| C12 | C23 | C13 | H231 | 121.3° | 120.0° |
| C12 | C23 | C13 | H232 | 121.3° | 120.0° |
| C23 | C12 | C11 | H111 | 179.7° | 60.1° |
| C23 | C12 | C11 | H112 | 62.5° | 60.0° |
| C23 | C12 | H121 | H122 | 117.4° | 120.1° |
| C12 | C23 | H231 | H232 | 115.8° | 120.0° |
| C12 | C23 | C13 | H131 | 179.0° | 60.0° |
| C12 | C23 | C13 | H132 | 59.8° | 60.0° |
| C15 | N14 | C13 | H14 | 180.0° | 179.9° |
| N14 | C15 | C16 | O17 | 175.1° | 180.0° |
| N14 | C15 | C16 | C18 | 0.7° | 180.0° |
| N14 | C15 | C16 | C22 | 178.3° | 0.2° |
| C15 | N14 | C13 | C23 | 178.7° | 180.0° |
| C15 | N14 | C13 | H131 | 60.9° | 60.0° |
| C15 | N14 | C13 | H132 | 58.4° | 60.0° |
| C13 | N14 | C15 | C16 | 175.4° | 180.0° |
| C13 | N14 | C15 | O17 | 0.2° | 0.0° |
| N14 | C13 | C23 | H131 | 120.4° | 120.0° |
| N14 | C13 | C23 | H132 | 120.4° | 120.0° |
| N14 | C13 | C23 | H231 | 178.1° | 60.0° |
| N14 | C13 | C23 | H232 | 60.7° | 60.0° |
| N14 | C13 | H131 | H132 | 119.0° | 120.1° |
| C15 | C16 | C18 | C22 | 177.6° | 179.8° |
| C15 | C16 | C18 | C19 | 174.0° | 180.0° |
| C15 | C16 | C18 | O23 | 0.5° | 0.0° |
| C15 | C16 | C22 | C21 | 179.7° | 179.7° |
| C16 | C15 | N14 | H14 | 4.6° | 0.1° |
| C15 | C16 | C22 | H22 | 0.3° | 0.0° |
| O17 | C15 | C16 | C18 | 174.4° | 0.0° |
| O17 | C15 | C16 | C22 | 3.2° | 179.7° |
| O17 | C15 | N14 | H14 | 179.8° | 180.0° |
| C16 | C18 | C19 | O23 | 174.1° | 179.9° |
| C16 | C18 | C19 | C20 | 9.9° | 0.1° |
| C16 | C18 | C19 | O24 | 177.4° | 180.0° |
| C18 | C16 | C22 | C21 | 2.1° | 0.5° |
| C16 | C18 | O23 | H23 | 180.0° | 90.1° |
| C18 | C16 | C22 | H22 | 177.9° | 179.8° |
| C22 | C16 | C18 | C19 | 3.6° | 0.3° |
| C22 | C16 | C18 | O23 | 177.1° | 179.8° |
| C16 | C22 | C21 | C20 | 1.7° | 0.5° |
| C16 | C22 | C21 | H22 | 180.0° | 179.7° |
| C16 | C22 | C21 | H21 | 178.3° | 179.7° |
| C18 | C19 | C20 | O24 | 172.5° | 180.0° |
| C18 | C19 | C20 | C21 | 10.2° | 0.1° |
| C19 | C18 | O23 | H23 | 6.2° | 90.0° |
| C18 | C19 | C20 | H20 | 169.8° | 180.0° |
| C18 | C19 | O24 | H24 | 180.0° | 90.0° |
| O23 | C18 | C19 | C20 | 176.0° | 180.0° |
| O23 | C18 | C19 | O24 | 3.3° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 4.6° | 0.3° |
| C20 | C19 | O24 | H24 | 7.4° | 90.0° |
| C19 | C20 | C21 | H21 | 175.4° | 180.0° |
| O24 | C19 | C20 | C21 | 177.3° | 180.0° |
| O24 | C19 | C20 | H20 | 2.8° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.8° |
| C20 | C21 | C22 | H22 | 178.3° | 179.8° |
| C22 | C21 | C20 | H20 | 175.4° | 179.8° |
| C13 | C23 | C12 | H121 | 68.6° | 60.1° |
| C13 | C23 | C12 | H122 | 49.7° | 60.0° |
| C13 | C23 | H231 | H232 | 115.9° | 120.0° |
| C23 | C13 | N14 | H14 | 1.3° | 0.0° |
| C23 | C13 | H131 | H132 | 118.9° | 120.0° |
| H1 | C1 | C6 | H6 | 5.5° | 0.3° |
| H6 | C6 | C5 | H5 | 1.9° | 0.0° |
| H8 | N8 | C10 | H101 | 115.6° | 120.0° |
| H8 | N8 | C10 | H102 | 125.4° | 119.9° |
| H101 | C10 | C11 | H111 | 50.6° | 180.0° |
| H101 | C10 | C11 | H112 | 66.6° | 60.0° |
| H102 | C10 | C11 | H111 | 169.6° | 60.0° |
| H102 | C10 | C11 | H112 | 52.4° | 180.0° |
| H111 | C11 | C12 | H121 | 59.5° | 180.0° |
| H111 | C11 | C12 | H122 | 58.9° | 60.0° |
| H112 | C11 | C12 | H121 | 176.6° | 59.9° |
| H112 | C11 | C12 | H122 | 58.3° | 180.0° |
| H121 | C12 | C23 | H231 | 170.1° | 180.0° |
| H121 | C12 | C23 | H232 | 52.7° | 59.9° |
| H122 | C12 | C23 | H231 | 71.6° | 60.0° |
| H122 | C12 | C23 | H232 | 171.0° | 180.0° |
| H231 | C23 | C13 | H131 | 57.7° | 60.0° |
| H231 | C23 | C13 | H132 | 61.5° | 180.0° |
| H232 | C23 | C13 | H131 | 59.7° | NaN° |
| H232 | C23 | C13 | H132 | 179.0° | 60.0° |
| H14 | N14 | C13 | H131 | 119.1° | 120.0° |
| H14 | N14 | C13 | H132 | 121.6° | 119.9° |
| H22 | C22 | C21 | H21 | 1.7° | 0.0° |
| H20 | C20 | C21 | H21 | 4.6° | 0.0° |
