DLH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C6 | sing | 1.37Å | 1.37Å | |
| O5 | C1 | sing | 1.43Å | 1.43Å | |
| C9 | C1 | sing | 1.53Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C22 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| O13 | C3 | doub | 1.21Å | 1.23Å | |
| C1 | C8 | sing | 1.52Å | 1.51Å | |
| C1 | O4 | sing | 1.44Å | 1.42Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C3 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.51Å | 1.50Å | |
| C3 | N2 | sing | 1.35Å | 1.43Å | |
| C11 | N2 | sing | 1.47Å | 1.50Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.48Å | |
| C17 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | O4 | sing | 1.37Å | 1.36Å | |
| C7 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.72Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | O5 | C1 | 106.1° | 105.3° |
| O5 | C6 | C22 | 128.3° | 131.6° |
| O5 | C6 | C7 | 109.3° | 108.6° |
| O5 | C1 | C9 | 111.4° | 110.2° |
| O5 | C1 | C8 | 108.5° | 110.5° |
| O5 | C1 | O4 | 108.8° | 104.3° |
| C1 | C9 | C11 | 108.3° | 109.4° |
| C9 | C1 | C8 | 110.2° | 110.7° |
| C9 | C1 | O4 | 112.0° | 110.4° |
| C1 | C9 | H17 | 109.8° | 109.5° |
| C1 | C9 | H18 | 109.7° | 109.5° |
| C9 | C11 | N2 | 115.3° | 108.7° |
| C9 | C11 | H3 | 108.0° | 109.6° |
| C9 | C11 | H4 | 108.0° | 109.7° |
| C11 | C9 | H17 | 109.7° | 109.6° |
| C11 | C9 | H18 | 109.8° | 109.4° |
| C6 | C22 | C23 | 115.6° | 120.1° |
| C22 | C6 | C7 | 122.3° | 119.8° |
| C6 | C22 | H10 | 122.2° | 120.0° |
| C22 | C23 | C24 | 121.8° | 120.2° |
| C23 | C22 | H10 | 122.2° | 120.0° |
| C22 | C23 | H11 | 119.1° | 119.9° |
| C6 | C7 | O4 | 109.5° | 108.6° |
| C6 | C7 | C21 | 122.5° | 119.9° |
| O13 | C3 | C12 | 120.2° | 120.0° |
| O13 | C3 | N2 | 119.8° | 120.1° |
| C8 | C1 | O4 | 105.7° | 110.5° |
| C1 | C8 | C10 | 107.1° | 109.4° |
| C1 | C8 | H15 | 110.1° | 109.5° |
| C1 | C8 | H16 | 110.1° | 109.5° |
| C1 | O4 | C7 | 106.2° | 105.3° |
| C8 | C10 | N2 | 110.8° | 108.9° |
| C8 | C10 | H1 | 109.1° | 109.6° |
| C8 | C10 | H2 | 109.1° | 109.6° |
| C10 | C8 | H15 | 110.1° | 109.5° |
| C10 | C8 | H16 | 110.1° | 109.4° |
| C3 | C12 | C14 | 112.7° | 109.5° |
| C12 | C3 | N2 | 120.0° | 120.0° |
| C3 | C12 | H13 | 108.7° | 109.4° |
| C3 | C12 | H14 | 108.7° | 109.5° |
| C12 | C14 | C17 | 117.7° | 120.0° |
| C12 | C14 | C18 | 121.5° | 120.0° |
| C14 | C12 | H13 | 108.7° | 109.4° |
| C14 | C12 | H14 | 108.7° | 109.5° |
| C3 | N2 | C11 | 121.7° | 120.6° |
| C3 | N2 | C10 | 117.6° | 120.6° |
| C11 | N2 | C10 | 113.9° | 118.8° |
| N2 | C11 | H3 | 108.0° | 109.6° |
| N2 | C11 | H4 | 108.0° | 109.6° |
| C23 | C24 | C21 | 122.6° | 120.1° |
| C24 | C23 | H11 | 119.1° | 119.9° |
| C23 | C24 | H12 | 118.7° | 119.9° |
| N2 | C10 | H1 | 109.2° | 109.6° |
| N2 | C10 | H2 | 109.1° | 109.6° |
| C14 | C17 | C19 | 120.3° | 120.0° |
| C17 | C14 | C18 | 120.8° | 120.0° |
| C14 | C17 | H5 | 119.8° | 120.0° |
| C17 | C19 | C15 | 118.0° | 120.0° |
| C19 | C17 | H5 | 119.8° | 120.0° |
| C17 | C19 | H7 | 121.0° | 120.0° |
| C14 | C18 | C20 | 119.5° | 120.0° |
| C14 | C18 | H6 | 120.3° | 120.0° |
| O4 | C7 | C21 | 127.9° | 131.5° |
| C7 | C21 | C24 | 115.2° | 120.0° |
| C7 | C21 | H9 | 122.4° | 120.0° |
| C19 | C15 | C20 | 123.0° | 119.9° |
| C19 | C15 | CL | 118.1° | 120.0° |
| C15 | C19 | H7 | 121.0° | 120.0° |
| C24 | C21 | H9 | 122.4° | 120.0° |
| C21 | C24 | H12 | 118.7° | 120.0° |
| C18 | C20 | C15 | 118.4° | 120.0° |
| C20 | C18 | H6 | 120.3° | 120.0° |
| C18 | C20 | H8 | 120.8° | 120.0° |
| C20 | C15 | CL | 118.9° | 120.0° |
| C15 | C20 | H8 | 120.8° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.6° |
| H3 | C11 | H4 | 109.4° | 109.6° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C8 | H16 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | O5 | C1 | C9 | 125.4° | 91.8° |
| O5 | C6 | C22 | C7 | 179.8° | 179.8° |
| O5 | C6 | C22 | C23 | 179.8° | 179.8° |
| C6 | O5 | C1 | C8 | 113.1° | 145.5° |
| C6 | O5 | C1 | O4 | 1.5° | 26.8° |
| O5 | C6 | C7 | O4 | 0.2° | 0.1° |
| O5 | C6 | C7 | C21 | 179.8° | 179.8° |
| O5 | C6 | C22 | H10 | 0.2° | 0.2° |
| O5 | C1 | C9 | C8 | 120.5° | 122.5° |
| O5 | C1 | C9 | O4 | 122.1° | 114.8° |
| O5 | C1 | C9 | C11 | 179.3° | 62.5° |
| C1 | O5 | C6 | C22 | 179.4° | 162.9° |
| C1 | O5 | C6 | C7 | 0.8° | 16.9° |
| O5 | C1 | C8 | O4 | 116.6° | 114.9° |
| O5 | C1 | C8 | C10 | 171.5° | 62.5° |
| O5 | C1 | O4 | C7 | 1.7° | 26.8° |
| O5 | C1 | C8 | H15 | 68.9° | 177.5° |
| O5 | C1 | C8 | H16 | 51.9° | 57.5° |
| O5 | C1 | C9 | H17 | 60.9° | 57.6° |
| O5 | C1 | C9 | H18 | 59.4° | 177.6° |
| C1 | C9 | C11 | H17 | 119.8° | 120.0° |
| C1 | C9 | C11 | H18 | 119.8° | 119.9° |
| C9 | C1 | C8 | O4 | 121.2° | 122.7° |
| C9 | C1 | C8 | C10 | 66.3° | 59.9° |
| C1 | C9 | C11 | N2 | 47.8° | 53.8° |
| C9 | C1 | O4 | C7 | 125.2° | 91.6° |
| C1 | C9 | C11 | H3 | 73.1° | 173.6° |
| C1 | C9 | C11 | H4 | 168.7° | 66.0° |
| C9 | C1 | C8 | H15 | 53.3° | 60.1° |
| C9 | C1 | C8 | H16 | 174.1° | 179.9° |
| C1 | C9 | H17 | H18 | 120.5° | 120.1° |
| C11 | C9 | C1 | C8 | 58.7° | 60.0° |
| C11 | C9 | C1 | O4 | 58.6° | 177.3° |
| C9 | C11 | N2 | C3 | 104.8° | 125.8° |
| C9 | C11 | N2 | H3 | 120.9° | 119.8° |
| C9 | C11 | N2 | H4 | 120.9° | 119.9° |
| C9 | C11 | N2 | C10 | 45.6° | 54.1° |
| C9 | C11 | H3 | H4 | 117.4° | 120.5° |
| C11 | C9 | H17 | H18 | 120.5° | 120.0° |
| C6 | C22 | C23 | H10 | 180.0° | 180.0° |
| C6 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C6 | C7 | O4 | 179.6° | 180.0° |
| C22 | C6 | C7 | C21 | 0.0° | 0.1° |
| C6 | C22 | C23 | H11 | 179.8° | 179.9° |
| C23 | C22 | C6 | C7 | 0.0° | 0.0° |
| C22 | C23 | C24 | H11 | 180.0° | 179.9° |
| C22 | C23 | C24 | C21 | 0.4° | 0.0° |
| C22 | C23 | C24 | H12 | 179.6° | 179.9° |
| C6 | C7 | O4 | C1 | 1.2° | 17.0° |
| C6 | C7 | O4 | C21 | 179.6° | 179.9° |
| C6 | C7 | C21 | C24 | 0.2° | 0.0° |
| C6 | C7 | C21 | H9 | 179.8° | 180.0° |
| C7 | C6 | C22 | H10 | 180.0° | 180.0° |
| O13 | C3 | C12 | N2 | 179.9° | 179.9° |
| O13 | C3 | C12 | C14 | 144.1° | 0.1° |
| O13 | C3 | N2 | C11 | 138.3° | 0.1° |
| O13 | C3 | N2 | C10 | 11.0° | 180.0° |
| O13 | C3 | C12 | H13 | 95.4° | 120.0° |
| O13 | C3 | C12 | H14 | 23.7° | 120.0° |
| C1 | C8 | C10 | H15 | 119.6° | 120.0° |
| C1 | C8 | C10 | H16 | 119.6° | 120.0° |
| C1 | C8 | C10 | N2 | 61.4° | 53.8° |
| C8 | C1 | O4 | C7 | 114.8° | 145.5° |
| C1 | C8 | C10 | H1 | 178.4° | 66.0° |
| C1 | C8 | C10 | H2 | 58.8° | 173.7° |
| C1 | C8 | H15 | H16 | 121.1° | 120.1° |
| C8 | C1 | C9 | H17 | 178.5° | 179.9° |
| C8 | C1 | C9 | H18 | 61.1° | 59.8° |
| O4 | C1 | C8 | C10 | 54.9° | 177.4° |
| C1 | O4 | C7 | C21 | 179.3° | 162.9° |
| O4 | C1 | C8 | H15 | 174.5° | 62.6° |
| O4 | C1 | C8 | H16 | 64.7° | 57.5° |
| O4 | C1 | C9 | H17 | 61.2° | 57.2° |
| O4 | C1 | C9 | H18 | 178.5° | 62.8° |
| C8 | C10 | N2 | C3 | 100.2° | 125.9° |
| C8 | C10 | N2 | C11 | 51.5° | 54.1° |
| C8 | C10 | N2 | H1 | 120.2° | 119.8° |
| C8 | C10 | N2 | H2 | 120.2° | 119.9° |
| C8 | C10 | H1 | H2 | 119.4° | 120.3° |
| C10 | C8 | H15 | H16 | 121.1° | 120.0° |
| C3 | C12 | C14 | H13 | 120.5° | 119.9° |
| C3 | C12 | C14 | H14 | 120.5° | 120.0° |
| C12 | C3 | N2 | C11 | 41.8° | 180.0° |
| C12 | C3 | N2 | C10 | 168.9° | 0.1° |
| C3 | C12 | C14 | C17 | 124.1° | 90.0° |
| C3 | C12 | C14 | C18 | 55.4° | 90.2° |
| C3 | C12 | H13 | H14 | 118.5° | 120.0° |
| C14 | C12 | C3 | N2 | 35.8° | 180.0° |
| C12 | C14 | C17 | C18 | 179.4° | 179.7° |
| C12 | C14 | C17 | C19 | 179.7° | 180.0° |
| C12 | C14 | C18 | C20 | 179.7° | 179.8° |
| C12 | C14 | C17 | H5 | 0.2° | 0.2° |
| C12 | C14 | C18 | H6 | 0.3° | 0.3° |
| C14 | C12 | H13 | H14 | 118.5° | 120.0° |
| C3 | N2 | C11 | C10 | 150.4° | 179.9° |
| C3 | N2 | C10 | H1 | 20.0° | 114.3° |
| C3 | N2 | C10 | H2 | 139.6° | 6.0° |
| C3 | N2 | C11 | H3 | 134.3° | 6.0° |
| C3 | N2 | C11 | H4 | 16.1° | 114.3° |
| N2 | C3 | C12 | H13 | 84.7° | 60.1° |
| N2 | C3 | C12 | H14 | 156.2° | 59.9° |
| C11 | N2 | C10 | H1 | 171.7° | 65.8° |
| C11 | N2 | C10 | H2 | 68.7° | 173.9° |
| N2 | C11 | H3 | H4 | 117.3° | 120.3° |
| N2 | C11 | C9 | H17 | 167.6° | 173.8° |
| N2 | C11 | C9 | H18 | 72.0° | 66.1° |
| C23 | C24 | C21 | C7 | 0.4° | 0.0° |
| C23 | C24 | C21 | H12 | 180.0° | 179.9° |
| C23 | C24 | C21 | H9 | 179.6° | 180.0° |
| C24 | C23 | C22 | H10 | 179.8° | 180.0° |
| N2 | C10 | H1 | H2 | 119.4° | 120.3° |
| C10 | N2 | C11 | H3 | 75.3° | 173.9° |
| C10 | N2 | C11 | H4 | 166.5° | 65.8° |
| N2 | C10 | C8 | H15 | 58.3° | 66.2° |
| N2 | C10 | C8 | H16 | 179.0° | 173.8° |
| C14 | C17 | C19 | H5 | 180.0° | 179.8° |
| C14 | C17 | C19 | C15 | 0.2° | 0.0° |
| C17 | C14 | C18 | C20 | 0.3° | 0.5° |
| C17 | C14 | C18 | H6 | 179.7° | 180.0° |
| C14 | C17 | C19 | H7 | 179.8° | 179.9° |
| C17 | C14 | C12 | H13 | 3.6° | 150.0° |
| C17 | C14 | C12 | H14 | 115.5° | 30.0° |
| C19 | C17 | C14 | C18 | 0.3° | 0.2° |
| C17 | C19 | C15 | H7 | 180.0° | 179.9° |
| C17 | C19 | C15 | C20 | 0.0° | 0.0° |
| C17 | C19 | C15 | CL | 180.0° | 179.7° |
| C14 | C18 | C20 | H6 | 180.0° | 179.5° |
| C14 | C18 | C20 | C15 | 0.1° | 0.5° |
| C18 | C14 | C17 | H5 | 179.7° | 180.0° |
| C14 | C18 | C20 | H8 | 179.9° | 179.5° |
| C18 | C14 | C12 | H13 | 175.9° | 29.7° |
| C18 | C14 | C12 | H14 | 65.1° | 149.7° |
| O4 | C7 | C21 | C24 | 179.7° | 179.9° |
| O4 | C7 | C21 | H9 | 0.3° | 0.1° |
| C7 | C21 | C24 | H9 | 180.0° | 179.9° |
| C7 | C21 | C24 | H12 | 179.6° | 180.0° |
| C19 | C15 | C20 | C18 | 0.0° | 0.2° |
| C19 | C15 | C20 | CL | 180.0° | 179.7° |
| C15 | C19 | C17 | H5 | 179.8° | 179.8° |
| C19 | C15 | C20 | H8 | 180.0° | 179.7° |
| C21 | C24 | C23 | H11 | 179.6° | 180.0° |
| C18 | C20 | C15 | H8 | 180.0° | 179.9° |
| C18 | C20 | C15 | CL | 180.0° | 180.0° |
| C15 | C20 | C18 | H6 | 179.9° | 180.0° |
| C20 | C15 | C19 | H7 | 180.0° | 179.9° |
| CL | C15 | C19 | H7 | 0.0° | 0.3° |
| CL | C15 | C20 | H8 | 0.0° | 0.0° |
| H1 | C10 | C8 | H15 | 62.0° | 174.0° |
| H1 | C10 | C8 | H16 | 58.8° | 54.0° |
| H2 | C10 | C8 | H15 | 178.5° | 53.7° |
| H2 | C10 | C8 | H16 | 60.8° | 66.3° |
| H3 | C11 | C9 | H17 | 46.8° | 66.4° |
| H3 | C11 | C9 | H18 | 167.1° | 53.7° |
| H4 | C11 | C9 | H17 | 71.5° | 54.0° |
| H4 | C11 | C9 | H18 | 48.8° | 174.1° |
| H5 | C17 | C19 | H7 | 0.2° | 0.3° |
| H6 | C18 | C20 | H8 | 0.1° | 0.0° |
| H9 | C21 | C24 | H12 | 0.4° | 0.1° |
| H10 | C22 | C23 | H11 | 0.2° | 0.1° |
| H11 | C23 | C24 | H12 | 0.4° | 0.0° |
