L19
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| O1 | C22 | doub | 1.21Å | 1.19Å | |
| C19 | C14 | doub | 1.40Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.51Å | |
| C22 | O2 | sing | 1.34Å | 1.32Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | N1 | sing | 1.47Å | 1.47Å | |
| C13 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C6 | doub | 1.38Å | 1.47Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | N | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| N | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C5 | C1 | sing | 1.40Å | 1.48Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.50Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.39Å | |
| C12 | C7 | sing | 1.41Å | 1.51Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| O | C | sing | 1.43Å | 1.42Å | |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | C23 | sing | 1.51Å | 1.48Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 123.3° | 120.3° |
| C17 | C18 | C19 | 116.9° | 120.1° |
| C18 | C17 | H8 | 118.3° | 119.8° |
| C17 | C18 | H9 | 121.5° | 119.9° |
| C17 | C16 | C15 | 117.8° | 120.1° |
| C17 | C16 | H7 | 121.1° | 119.9° |
| C16 | C17 | H8 | 118.4° | 119.9° |
| C18 | C19 | C14 | 120.4° | 119.9° |
| C19 | C18 | H9 | 121.5° | 120.0° |
| C18 | C19 | H10 | 119.8° | 120.0° |
| C16 | C15 | C14 | 120.1° | 119.9° |
| C16 | C15 | H6 | 119.9° | 120.1° |
| C15 | C16 | H7 | 121.1° | 119.9° |
| O1 | C22 | O2 | 111.9° | 120.0° |
| O1 | C22 | C21 | 123.8° | 120.0° |
| C19 | C14 | C15 | 121.4° | 119.6° |
| C19 | C14 | C13 | 123.7° | 120.2° |
| C14 | C19 | H10 | 119.8° | 120.1° |
| C15 | C14 | C13 | 114.9° | 120.2° |
| C14 | C15 | H6 | 120.0° | 120.0° |
| C14 | C13 | N1 | 126.3° | 125.4° |
| C14 | C13 | C6 | 123.6° | 125.4° |
| O2 | C22 | C21 | 124.3° | 120.0° |
| C22 | O2 | H1 | 109.5° | 117.0° |
| C22 | C21 | C20 | 115.1° | 109.5° |
| C22 | C21 | H2 | 108.1° | 109.4° |
| C22 | C21 | H3 | 108.0° | 109.5° |
| C21 | C20 | N1 | 105.1° | 109.4° |
| C20 | C21 | H2 | 108.0° | 109.5° |
| C20 | C21 | H3 | 108.0° | 109.5° |
| C21 | C20 | H4 | 110.5° | 109.4° |
| C21 | C20 | H5 | 110.6° | 109.5° |
| C20 | N1 | C13 | 124.8° | 124.9° |
| C20 | N1 | C12 | 122.4° | 124.9° |
| N1 | C20 | H4 | 110.5° | 109.5° |
| N1 | C20 | H5 | 110.5° | 109.5° |
| N1 | C13 | C6 | 110.0° | 109.2° |
| C13 | N1 | C12 | 112.4° | 110.2° |
| C13 | C6 | C5 | 128.2° | 126.7° |
| C13 | C6 | C7 | 103.4° | 106.5° |
| C4 | C3 | N | 118.2° | 121.0° |
| C3 | C4 | C5 | 119.4° | 119.0° |
| C3 | C4 | H19 | 120.3° | 120.5° |
| C4 | C3 | H20 | 120.9° | 119.5° |
| C3 | N | C2 | 126.5° | 122.1° |
| N | C3 | H20 | 120.9° | 119.5° |
| N1 | C12 | C7 | 106.8° | 107.9° |
| N1 | C12 | C11 | 133.6° | 132.8° |
| C4 | C5 | C6 | 125.0° | 120.9° |
| C4 | C5 | C1 | 119.4° | 118.1° |
| C5 | C4 | H19 | 120.3° | 120.5° |
| N | C2 | C1 | 118.4° | 120.8° |
| N | C2 | H21 | 120.8° | 119.6° |
| C6 | C5 | C1 | 115.5° | 121.0° |
| C5 | C6 | C7 | 128.4° | 126.8° |
| C5 | C1 | C2 | 118.0° | 118.9° |
| C5 | C1 | O | 119.0° | 120.5° |
| C6 | C7 | C12 | 107.4° | 106.3° |
| C6 | C7 | C8 | 130.6° | 133.7° |
| C2 | C1 | O | 123.0° | 120.6° |
| C1 | C2 | H21 | 120.8° | 119.6° |
| C1 | O | C | 112.8° | 117.0° |
| C7 | C12 | C11 | 119.6° | 119.3° |
| C12 | C7 | C8 | 122.0° | 120.0° |
| C12 | C11 | C10 | 116.8° | 120.0° |
| C12 | C11 | H18 | 121.6° | 120.0° |
| O | C | H22 | 109.5° | 109.5° |
| O | C | H23 | 109.5° | 109.4° |
| O | C | H24 | 109.5° | 109.5° |
| C7 | C8 | C9 | 115.6° | 119.7° |
| C7 | C8 | H11 | 122.2° | 120.2° |
| C11 | C10 | C9 | 123.2° | 120.7° |
| C11 | C10 | H17 | 118.4° | 119.7° |
| C10 | C11 | H18 | 121.6° | 120.1° |
| C8 | C9 | C10 | 122.8° | 120.3° |
| C8 | C9 | C23 | 119.6° | 119.9° |
| C9 | C8 | H11 | 122.2° | 120.1° |
| C10 | C9 | C23 | 117.3° | 119.8° |
| C9 | C10 | H17 | 118.4° | 119.6° |
| C9 | C23 | C25 | 117.0° | 117.5° |
| C9 | C23 | C24 | 105.3° | 117.5° |
| C9 | C23 | H12 | 119.9° | 115.5° |
| C25 | C23 | C24 | 61.6° | 60.0° |
| C23 | C25 | C24 | 58.7° | 60.0° |
| C25 | C23 | H12 | 118.9° | 117.5° |
| C23 | C25 | H15 | 120.2° | 117.5° |
| C23 | C25 | H16 | 120.2° | 117.5° |
| C23 | C24 | C25 | 59.7° | 60.0° |
| C24 | C23 | H12 | 119.2° | 117.5° |
| C23 | C24 | H13 | 120.1° | 117.5° |
| C23 | C24 | H14 | 120.1° | 117.5° |
| C25 | C24 | H13 | 120.0° | 117.5° |
| C25 | C24 | H14 | 120.1° | 117.5° |
| C24 | C25 | H15 | 120.2° | 117.5° |
| C24 | C25 | H16 | 120.2° | 117.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 115.6° |
| H15 | C25 | H16 | 109.5° | 115.6° |
| H22 | C | H23 | 109.5° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H8 | 180.0° | 179.7° |
| C17 | C18 | C19 | H9 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 2.8° | 0.0° |
| C17 | C18 | C19 | C14 | 1.4° | 0.6° |
| C18 | C17 | C16 | H7 | 177.2° | 180.0° |
| C17 | C18 | C19 | H10 | 178.7° | 180.0° |
| C16 | C17 | C18 | C19 | 1.0° | 0.3° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 2.2° | 0.0° |
| C17 | C16 | C15 | H6 | 177.8° | 180.0° |
| C16 | C17 | C18 | H9 | 179.1° | 180.0° |
| C18 | C19 | C14 | H10 | 180.0° | 179.4° |
| C18 | C19 | C14 | C15 | 1.9° | 0.5° |
| C18 | C19 | C14 | C13 | 179.8° | 179.7° |
| C19 | C18 | C17 | H8 | 179.1° | 180.0° |
| C16 | C15 | C14 | C19 | 0.1° | 0.2° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 178.4° | 180.0° |
| C15 | C16 | C17 | H8 | 177.3° | 179.7° |
| O1 | C22 | O2 | C21 | 179.5° | 179.7° |
| O1 | C22 | C21 | C20 | 79.4° | 0.0° |
| O1 | C22 | O2 | H1 | 0.0° | 0.0° |
| O1 | C22 | C21 | H2 | 159.8° | 120.0° |
| O1 | C22 | C21 | H3 | 41.4° | 120.0° |
| C19 | C14 | C15 | C13 | 178.4° | 179.7° |
| C19 | C14 | C13 | N1 | 125.8° | 45.3° |
| C19 | C14 | C13 | C6 | 57.3° | 134.7° |
| C19 | C14 | C15 | H6 | 179.9° | 179.7° |
| C14 | C19 | C18 | H9 | 178.6° | 179.7° |
| C15 | C14 | C13 | N1 | 52.6° | 135.0° |
| C15 | C14 | C13 | C6 | 124.3° | 45.0° |
| C14 | C15 | C16 | H7 | 177.8° | 180.0° |
| C15 | C14 | C19 | H10 | 178.1° | 180.0° |
| C14 | C13 | N1 | C20 | 6.6° | 0.1° |
| C14 | C13 | N1 | C6 | 177.2° | 180.0° |
| C14 | C13 | N1 | C12 | 179.6° | 179.7° |
| C14 | C13 | C6 | C5 | 3.3° | 0.0° |
| C14 | C13 | C6 | C7 | 180.0° | 180.0° |
| C13 | C14 | C15 | H6 | 1.5° | 0.0° |
| C13 | C14 | C19 | H10 | 0.1° | 0.3° |
| O2 | C22 | C21 | C20 | 100.0° | 179.7° |
| O2 | C22 | C21 | H2 | 20.8° | 60.3° |
| O2 | C22 | C21 | H3 | 139.2° | 59.7° |
| C22 | C21 | C20 | H2 | 120.8° | 120.0° |
| C22 | C21 | C20 | H3 | 120.8° | 120.0° |
| C22 | C21 | C20 | N1 | 62.2° | 180.0° |
| C21 | C22 | O2 | H1 | 179.5° | 179.7° |
| C22 | C21 | H2 | H3 | 117.4° | 120.0° |
| C22 | C21 | C20 | H4 | 178.5° | 60.0° |
| C22 | C21 | C20 | H5 | 57.1° | 60.0° |
| C21 | C20 | N1 | H4 | 119.3° | 120.0° |
| C21 | C20 | N1 | H5 | 119.3° | 120.0° |
| C21 | C20 | N1 | C13 | 99.1° | 89.8° |
| C21 | C20 | N1 | C12 | 73.2° | 90.0° |
| C20 | C21 | H2 | H3 | 117.4° | 120.0° |
| C21 | C20 | H4 | H5 | 122.0° | 120.0° |
| C20 | N1 | C13 | C12 | 172.9° | 179.8° |
| C20 | N1 | C13 | C6 | 176.1° | 179.9° |
| C20 | N1 | C12 | C7 | 175.3° | 179.8° |
| C20 | N1 | C12 | C11 | 7.4° | 0.7° |
| N1 | C20 | C21 | H2 | 58.6° | 60.0° |
| N1 | C20 | C21 | H3 | 177.0° | 60.0° |
| N1 | C20 | H4 | H5 | 122.0° | 120.1° |
| N1 | C13 | C6 | C5 | 179.4° | 180.0° |
| N1 | C13 | C6 | C7 | 2.7° | 0.0° |
| C13 | N1 | C12 | C7 | 2.2° | 0.5° |
| C13 | N1 | C12 | C11 | 179.5° | 179.5° |
| C13 | N1 | C20 | H4 | 141.6° | 150.3° |
| C13 | N1 | C20 | H5 | 20.3° | 30.2° |
| C6 | C13 | N1 | C12 | 3.2° | 0.3° |
| C13 | C6 | C5 | C4 | 55.3° | 90.3° |
| C13 | C6 | C5 | C7 | 175.9° | 180.0° |
| C13 | C6 | C5 | C1 | 124.7° | 90.0° |
| C13 | C6 | C7 | C12 | 1.3° | 0.3° |
| C13 | C6 | C7 | C8 | 179.8° | 179.9° |
| C4 | C3 | N | H20 | 180.0° | 179.9° |
| C3 | C4 | C5 | H19 | 180.0° | 180.0° |
| C4 | C3 | N | C2 | 1.0° | 0.0° |
| C3 | C4 | C5 | C6 | 178.2° | 179.9° |
| C3 | C4 | C5 | C1 | 1.7° | 0.2° |
| N | C3 | C4 | C5 | 2.3° | 0.0° |
| C3 | N | C2 | C1 | 0.8° | 0.3° |
| N | C3 | C4 | H19 | 177.8° | 180.0° |
| C3 | N | C2 | H21 | 179.2° | 180.0° |
| N1 | C12 | C7 | C6 | 0.4° | 0.4° |
| N1 | C12 | C7 | C11 | 177.8° | 179.2° |
| N1 | C12 | C7 | C8 | 178.2° | 179.8° |
| N1 | C12 | C11 | C10 | 176.9° | 179.6° |
| C12 | N1 | C20 | H4 | 46.1° | 30.0° |
| C12 | N1 | C20 | H5 | 167.5° | 150.0° |
| N1 | C12 | C11 | H18 | 3.1° | 0.7° |
| C4 | C5 | C6 | C1 | 179.9° | 179.7° |
| C4 | C5 | C6 | C7 | 128.8° | 89.7° |
| C4 | C5 | C1 | C2 | 0.1° | 0.5° |
| C4 | C5 | C1 | O | 178.8° | 179.7° |
| C5 | C4 | C3 | H20 | 177.8° | 180.0° |
| N | C2 | C1 | C5 | 1.4° | 0.5° |
| N | C2 | C1 | H21 | 180.0° | 179.8° |
| N | C2 | C1 | O | 180.0° | 179.7° |
| C2 | N | C3 | H20 | 179.0° | 180.0° |
| C6 | C5 | C1 | C2 | 179.9° | 179.8° |
| C6 | C5 | C1 | O | 1.3° | 0.1° |
| C5 | C6 | C7 | C12 | 178.0° | 179.7° |
| C5 | C6 | C7 | C8 | 3.5° | 0.1° |
| C6 | C5 | C4 | H19 | 1.7° | 0.1° |
| C1 | C5 | C6 | C7 | 51.3° | 90.0° |
| C5 | C1 | C2 | O | 178.6° | 179.7° |
| C5 | C1 | O | C | 161.4° | 180.0° |
| C1 | C5 | C4 | H19 | 178.3° | 179.7° |
| C5 | C1 | C2 | H21 | 178.6° | 179.7° |
| C6 | C7 | C12 | C8 | 178.6° | 179.7° |
| C6 | C7 | C12 | C11 | 178.2° | 179.6° |
| C6 | C7 | C8 | C9 | 177.0° | 180.0° |
| C6 | C7 | C8 | H11 | 3.0° | 0.1° |
| C2 | C1 | O | C | 17.2° | 0.3° |
| O | C1 | C2 | H21 | 0.0° | 0.0° |
| C1 | O | C | H22 | 180.0° | 180.0° |
| C1 | O | C | H23 | 60.0° | 60.0° |
| C1 | O | C | H24 | 60.0° | 60.0° |
| C7 | C12 | C11 | C10 | 0.1° | 0.7° |
| C12 | C7 | C8 | C9 | 1.2° | 0.3° |
| C12 | C7 | C8 | H11 | 178.8° | 179.7° |
| C7 | C12 | C11 | H18 | 179.8° | 179.7° |
| C11 | C12 | C7 | C8 | 0.4° | 0.7° |
| C12 | C11 | C10 | H18 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 0.2° | 0.3° |
| C12 | C11 | C10 | H17 | 179.8° | 179.7° |
| O | C | H22 | H23 | 120.0° | 120.0° |
| O | C | H22 | H24 | 120.0° | 120.0° |
| O | C | H23 | H24 | 120.0° | 120.0° |
| C7 | C8 | C9 | H11 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 1.6° | 0.0° |
| C7 | C8 | C9 | C23 | 176.4° | 180.0° |
| C11 | C10 | C9 | C8 | 1.2° | 0.0° |
| C11 | C10 | C9 | H17 | 180.0° | 180.0° |
| C11 | C10 | C9 | C23 | 176.0° | 180.0° |
| C8 | C9 | C10 | C23 | 174.9° | 180.0° |
| C8 | C9 | C23 | C25 | 56.8° | 120.0° |
| C8 | C9 | C23 | C24 | 122.4° | 171.3° |
| C8 | C9 | C23 | H12 | 99.9° | 25.7° |
| C8 | C9 | C10 | H17 | 178.8° | 180.0° |
| C10 | C9 | C23 | C25 | 128.2° | 60.0° |
| C10 | C9 | C23 | C24 | 62.6° | 8.7° |
| C10 | C9 | C8 | H11 | 178.4° | 180.0° |
| C10 | C9 | C23 | H12 | 75.2° | 154.3° |
| C9 | C10 | C11 | H18 | 179.8° | 180.0° |
| C9 | C23 | C25 | C24 | 93.5° | 107.5° |
| C9 | C23 | C25 | H12 | 156.9° | 145.0° |
| C9 | C23 | C24 | H12 | 138.1° | 145.0° |
| C23 | C9 | C8 | H11 | 3.6° | 0.0° |
| C9 | C23 | C24 | H13 | 137.8° | 145.0° |
| C9 | C23 | C24 | H14 | 3.4° | 0.0° |
| C9 | C23 | C25 | H15 | 15.6° | 0.0° |
| C9 | C23 | C25 | H16 | 157.4° | 145.0° |
| C23 | C9 | C10 | H17 | 4.0° | 0.0° |
| C25 | C23 | C24 | H12 | 109.1° | 107.5° |
| C23 | C25 | C24 | H15 | 109.1° | 107.5° |
| C23 | C25 | C24 | H16 | 109.1° | 107.5° |
| C25 | C23 | C24 | H13 | 109.4° | 107.4° |
| C25 | C23 | C24 | H14 | 109.4° | 107.5° |
| C23 | C25 | H15 | H16 | 145.5° | 145.7° |
| C23 | C24 | H13 | H14 | 144.9° | 145.7° |
| C25 | C24 | H13 | H14 | 144.9° | 145.7° |
| C24 | C25 | H15 | H16 | 145.5° | 145.7° |
| H2 | C21 | C20 | H4 | 60.7° | 180.0° |
| H2 | C21 | C20 | H5 | 177.9° | 60.0° |
| H3 | C21 | C20 | H4 | 57.7° | 60.0° |
| H3 | C21 | C20 | H5 | 63.7° | 180.0° |
| H6 | C15 | C16 | H7 | 2.2° | 0.0° |
| H7 | C16 | C17 | H8 | 2.7° | 0.3° |
| H8 | C17 | C18 | H9 | 0.9° | 0.3° |
| H9 | C18 | C19 | H10 | 1.3° | 0.3° |
| H12 | C23 | C24 | H13 | 0.2° | 0.1° |
| H12 | C23 | C24 | H14 | 141.5° | 145.0° |
| H12 | C23 | C25 | H15 | 141.3° | 145.0° |
| H12 | C23 | C25 | H16 | 0.5° | 0.0° |
| H13 | C24 | C25 | H15 | 141.5° | 145.0° |
| H13 | C24 | C25 | H16 | 0.3° | 0.0° |
| H14 | C24 | C25 | H15 | 0.3° | 0.0° |
| H14 | C24 | C25 | H16 | 141.5° | 145.0° |
| H17 | C10 | C11 | H18 | 0.2° | 0.0° |
| H19 | C4 | C3 | H20 | 2.2° | 0.0° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
