DL2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| O9 | C2 | sing | 1.37Å | 1.37Å | |
| O9 | C8 | sing | 1.44Å | 1.42Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C22 | C8 | sing | 1.52Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.47Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | O7 | sing | 1.43Å | 1.43Å | |
| C13 | O20 | doub | 1.21Å | 1.24Å | |
| C13 | N12 | sing | 1.35Å | 1.40Å | |
| N12 | C21 | sing | 1.47Å | 1.49Å | |
| N16 | C15 | doub | 1.29Å | 1.38Å | |
| N16 | C17 | sing | 1.34Å | 1.42Å | |
| C3 | O7 | sing | 1.37Å | 1.36Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C19 | sing | 1.51Å | 1.37Å | |
| O18 | C17 | doub | 1.22Å | 1.22Å | |
| C17 | C23 | sing | 1.47Å | 1.43Å | |
| C19 | C25 | sing | 1.51Å | 1.43Å | |
| C23 | C25 | doub | 1.34Å | 1.36Å | |
| C23 | CL | sing | 1.74Å | 1.68Å | |
| 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 | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 115.6° | 120.0° |
| C1 | C2 | O9 | 128.4° | 131.5° |
| C1 | C2 | C3 | 122.0° | 119.8° |
| C2 | C1 | H12 | 122.2° | 120.0° |
| C1 | C6 | C5 | 122.2° | 120.2° |
| C6 | C1 | H12 | 122.2° | 120.0° |
| C1 | C6 | H15 | 118.9° | 119.9° |
| C2 | O9 | C8 | 105.8° | 105.3° |
| O9 | C2 | C3 | 109.6° | 108.7° |
| O9 | C8 | C22 | 108.2° | 110.4° |
| O9 | C8 | C10 | 109.4° | 110.3° |
| O9 | C8 | O7 | 108.9° | 104.3° |
| C2 | C3 | O7 | 109.3° | 108.6° |
| C2 | C3 | C4 | 122.7° | 119.9° |
| C6 | C5 | C4 | 122.1° | 120.2° |
| C6 | C5 | H14 | 118.9° | 119.9° |
| C5 | C6 | H15 | 118.9° | 119.9° |
| C13 | C14 | C15 | 112.7° | 109.5° |
| C14 | C13 | O20 | 122.6° | 120.0° |
| C14 | C13 | N12 | 116.6° | 120.0° |
| C13 | C14 | H16 | 108.6° | 109.5° |
| C13 | C14 | H17 | 108.7° | 109.5° |
| C14 | C15 | N16 | 117.2° | 120.2° |
| C14 | C15 | C19 | 121.5° | 120.3° |
| C15 | C14 | H16 | 108.7° | 109.5° |
| C15 | C14 | H17 | 108.7° | 109.4° |
| C8 | C22 | C21 | 107.4° | 109.4° |
| C22 | C8 | C10 | 114.4° | 110.8° |
| C22 | C8 | O7 | 109.5° | 110.5° |
| C8 | C22 | H9 | 110.0° | 109.5° |
| C8 | C22 | H10 | 110.0° | 109.4° |
| C22 | C21 | N12 | 111.6° | 108.7° |
| C22 | C21 | H7 | 108.9° | 109.6° |
| C22 | C21 | H8 | 108.9° | 109.5° |
| C21 | C22 | H9 | 110.0° | 109.5° |
| C21 | C22 | H10 | 110.0° | 109.5° |
| C10 | C11 | N12 | 111.5° | 108.7° |
| C11 | C10 | C8 | 109.2° | 109.4° |
| C11 | C10 | H1 | 109.5° | 109.5° |
| C11 | C10 | H2 | 109.5° | 109.5° |
| C10 | C11 | H3 | 108.9° | 109.6° |
| C10 | C11 | H4 | 108.9° | 109.6° |
| C11 | N12 | C13 | 116.8° | 120.6° |
| C11 | N12 | C21 | 114.2° | 118.9° |
| N12 | C11 | H3 | 109.0° | 109.6° |
| N12 | C11 | H4 | 109.0° | 109.6° |
| C10 | C8 | O7 | 106.3° | 110.4° |
| C8 | C10 | H1 | 109.5° | 109.5° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | O7 | C3 | 106.4° | 105.4° |
| O20 | C13 | N12 | 120.8° | 119.9° |
| C13 | N12 | C21 | 122.9° | 120.5° |
| N12 | C21 | H7 | 109.0° | 109.7° |
| N12 | C21 | H8 | 108.9° | 109.7° |
| C15 | N16 | C17 | 121.4° | 122.8° |
| N16 | C15 | C19 | 121.3° | 119.5° |
| N16 | C17 | O18 | 119.4° | 118.7° |
| N16 | C17 | C23 | 115.3° | 122.6° |
| O7 | C3 | C4 | 128.0° | 131.5° |
| C3 | C4 | C5 | 115.4° | 120.0° |
| C3 | C4 | H13 | 122.3° | 120.0° |
| C5 | C4 | H13 | 122.3° | 120.0° |
| C4 | C5 | H14 | 119.0° | 119.9° |
| C15 | C19 | C25 | 119.5° | 117.7° |
| C15 | C19 | H5 | 106.9° | 107.8° |
| C15 | C19 | H6 | 106.9° | 107.8° |
| O18 | C17 | C23 | 125.2° | 118.7° |
| C17 | C23 | C25 | 123.7° | 120.0° |
| C17 | C23 | CL | 113.9° | 120.0° |
| C19 | C25 | C23 | 118.8° | 117.4° |
| C25 | C19 | H5 | 106.9° | 107.8° |
| C25 | C19 | H6 | 106.9° | 107.8° |
| C19 | C25 | H11 | 120.6° | 121.3° |
| C25 | C23 | CL | 122.5° | 120.0° |
| C23 | C25 | H11 | 120.6° | 121.3° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C11 | H4 | 109.5° | 109.8° |
| H5 | C19 | H6 | 109.5° | 107.5° |
| H7 | C21 | H8 | 109.5° | 109.6° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H12 | 180.0° | 179.9° |
| C1 | C2 | O9 | C3 | 179.8° | 179.9° |
| C1 | C2 | O9 | C8 | 179.9° | 163.1° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C1 | C2 | C3 | O7 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | H15 | 179.9° | 179.9° |
| C6 | C1 | C2 | O9 | 179.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.1° |
| C1 | C6 | C5 | H15 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C1 | C6 | C5 | H14 | 179.6° | 179.9° |
| C2 | O9 | C8 | C22 | 119.2° | 145.3° |
| C2 | O9 | C8 | C10 | 115.6° | 91.9° |
| C2 | O9 | C8 | O7 | 0.2° | 26.6° |
| O9 | C2 | C3 | O7 | 0.3° | 0.1° |
| O9 | C2 | C3 | C4 | 179.8° | 180.0° |
| O9 | C2 | C1 | H12 | 0.3° | 0.0° |
| C8 | O9 | C2 | C3 | 0.1° | 16.9° |
| O9 | C8 | C22 | C10 | 122.2° | 122.5° |
| O9 | C8 | C22 | O7 | 118.6° | 114.9° |
| O9 | C8 | C22 | C21 | 160.9° | 62.5° |
| O9 | C8 | C10 | C11 | 101.5° | 62.5° |
| O9 | C8 | C10 | O7 | 117.4° | 114.7° |
| O9 | C8 | O7 | C3 | 0.4° | 26.6° |
| O9 | C8 | C10 | H1 | 138.6° | 177.5° |
| O9 | C8 | C10 | H2 | 18.5° | 57.5° |
| O9 | C8 | C22 | H9 | 79.5° | 57.5° |
| O9 | C8 | C22 | H10 | 41.2° | 177.5° |
| C2 | C3 | O7 | C8 | 0.5° | 16.8° |
| C2 | C3 | O7 | C4 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C1 | H12 | 179.9° | 180.0° |
| C2 | C3 | C4 | H13 | 179.9° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C6 | C5 | C4 | H14 | 180.0° | 180.0° |
| C5 | C6 | C1 | H12 | 179.9° | 180.0° |
| C6 | C5 | C4 | H13 | 179.7° | 180.0° |
| C13 | C14 | C15 | H16 | 120.5° | 120.0° |
| C13 | C14 | C15 | H17 | 120.5° | 120.1° |
| C14 | C13 | N12 | C11 | 127.9° | 180.0° |
| C14 | C13 | O20 | N12 | 179.0° | 180.0° |
| C14 | C13 | N12 | C21 | 23.3° | 0.0° |
| C13 | C14 | C15 | N16 | 145.4° | 0.3° |
| C13 | C14 | C15 | C19 | 33.5° | 180.0° |
| C13 | C14 | H16 | H17 | 118.5° | 120.0° |
| C15 | C14 | C13 | O20 | 103.1° | 0.0° |
| C15 | C14 | C13 | N12 | 77.8° | 180.0° |
| C14 | C15 | N16 | C19 | 178.9° | 179.7° |
| C14 | C15 | N16 | C17 | 179.9° | 179.7° |
| C14 | C15 | C19 | C25 | 179.7° | 180.0° |
| C14 | C15 | C19 | H5 | 58.8° | 57.9° |
| C14 | C15 | C19 | H6 | 58.3° | 57.9° |
| C15 | C14 | H16 | H17 | 118.6° | 120.0° |
| C8 | C22 | C21 | H9 | 119.7° | 120.0° |
| C8 | C22 | C21 | H10 | 119.7° | 119.9° |
| C22 | C8 | C10 | C11 | 20.1° | 60.1° |
| C22 | C8 | C10 | O7 | 121.0° | 122.7° |
| C8 | C22 | C21 | N12 | 62.8° | 53.7° |
| C22 | C8 | O7 | C3 | 118.5° | 145.3° |
| C22 | C8 | C10 | H1 | 99.9° | 59.9° |
| C22 | C8 | C10 | H2 | 140.0° | 179.9° |
| C8 | C22 | C21 | H7 | 57.5° | 173.6° |
| C8 | C22 | C21 | H8 | 176.8° | 66.2° |
| C8 | C22 | H9 | H10 | 121.0° | 120.0° |
| C22 | C21 | N12 | C11 | 23.7° | 54.0° |
| C21 | C22 | C8 | C10 | 38.6° | 60.0° |
| C21 | C22 | C8 | O7 | 80.6° | 177.4° |
| C22 | C21 | N12 | C13 | 128.2° | 126.0° |
| C22 | C21 | N12 | H7 | 120.3° | 119.8° |
| C22 | C21 | N12 | H8 | 120.3° | 119.8° |
| C22 | C21 | H7 | H8 | 119.0° | 120.2° |
| C21 | C22 | H9 | H10 | 121.0° | 120.0° |
| C10 | C11 | N12 | H3 | 120.3° | 119.7° |
| C10 | C11 | N12 | H4 | 120.3° | 119.8° |
| C11 | C10 | C8 | H1 | 120.0° | 120.0° |
| C11 | C10 | C8 | H2 | 119.9° | 120.0° |
| C11 | C10 | C8 | O7 | 141.1° | 177.2° |
| C10 | C11 | N12 | C13 | 167.2° | 125.9° |
| C10 | C11 | N12 | C21 | 39.2° | 54.1° |
| C11 | C10 | H1 | H2 | 120.1° | 120.0° |
| C10 | C11 | H3 | H4 | 119.0° | 120.4° |
| N12 | C11 | C10 | C8 | 61.7° | 53.8° |
| C11 | N12 | C13 | O20 | 51.2° | 0.0° |
| C11 | N12 | C13 | C21 | 151.2° | 180.0° |
| N12 | C11 | C10 | H1 | 58.2° | 66.1° |
| N12 | C11 | C10 | H2 | 178.3° | 173.9° |
| N12 | C11 | H3 | H4 | 119.1° | 120.4° |
| C11 | N12 | C21 | H7 | 96.6° | 173.8° |
| C11 | N12 | C21 | H8 | 144.0° | 65.7° |
| C10 | C8 | O7 | C3 | 117.4° | 91.8° |
| C8 | C10 | H1 | H2 | 120.1° | 120.1° |
| C8 | C10 | C11 | H3 | 58.6° | 65.9° |
| C8 | C10 | C11 | H4 | 178.0° | 173.6° |
| C10 | C8 | C22 | H9 | 158.3° | 180.0° |
| C10 | C8 | C22 | H10 | 81.1° | 60.0° |
| C8 | O7 | C3 | C4 | 179.7° | 163.1° |
| O7 | C8 | C10 | H1 | 21.1° | 62.8° |
| O7 | C8 | C10 | H2 | 99.0° | 57.2° |
| O7 | C8 | C22 | H9 | 39.1° | 57.3° |
| O7 | C8 | C22 | H10 | 159.7° | 62.7° |
| O20 | C13 | N12 | C21 | 157.7° | 179.9° |
| O20 | C13 | C14 | H16 | 136.4° | 120.0° |
| O20 | C13 | C14 | H17 | 17.3° | 120.0° |
| C13 | N12 | C11 | H3 | 72.5° | 114.4° |
| C13 | N12 | C11 | H4 | 46.9° | 6.1° |
| C13 | N12 | C21 | H7 | 111.5° | 6.1° |
| C13 | N12 | C21 | H8 | 7.8° | 114.3° |
| N12 | C13 | C14 | H16 | 42.6° | 60.0° |
| N12 | C13 | C14 | H17 | 161.7° | 60.0° |
| C21 | N12 | C11 | H3 | 81.1° | 65.6° |
| C21 | N12 | C11 | H4 | 159.4° | 173.9° |
| N12 | C21 | H7 | H8 | 119.0° | 120.5° |
| N12 | C21 | C22 | H9 | 177.5° | 173.7° |
| N12 | C21 | C22 | H10 | 56.9° | 66.2° |
| C15 | N16 | C17 | O18 | 179.4° | 179.7° |
| C15 | N16 | C17 | C23 | 0.8° | 0.5° |
| N16 | C15 | C19 | C25 | 0.9° | 0.3° |
| N16 | C15 | C19 | H5 | 122.3° | 121.8° |
| N16 | C15 | C19 | H6 | 120.5° | 122.4° |
| N16 | C15 | C14 | H16 | 24.9° | 119.7° |
| N16 | C15 | C14 | H17 | 94.1° | 120.3° |
| C17 | N16 | C15 | C19 | 1.2° | 0.0° |
| N16 | C17 | O18 | C23 | 179.8° | 179.3° |
| N16 | C17 | C23 | C25 | 0.1° | 0.8° |
| N16 | C17 | C23 | CL | 179.8° | 180.0° |
| O7 | C3 | C4 | C5 | 180.0° | 179.9° |
| O7 | C3 | C4 | H13 | 0.0° | 0.1° |
| C3 | C4 | C5 | H13 | 180.0° | 180.0° |
| C3 | C4 | C5 | H14 | 179.7° | 180.0° |
| C4 | C5 | C6 | H15 | 179.7° | 180.0° |
| C15 | C19 | C25 | H5 | 121.4° | 122.1° |
| C15 | C19 | C25 | H6 | 121.4° | 122.1° |
| C15 | C19 | C25 | C23 | 0.2° | 0.1° |
| C15 | C19 | H5 | H6 | 115.5° | 116.0° |
| C15 | C19 | C25 | H11 | 179.8° | 180.0° |
| C19 | C15 | C14 | H16 | 153.9° | 60.0° |
| C19 | C15 | C14 | H17 | 87.0° | 59.9° |
| O18 | C17 | C23 | C25 | 179.9° | 179.9° |
| O18 | C17 | C23 | CL | 0.0° | 0.8° |
| C17 | C23 | C25 | C19 | 0.2° | 0.6° |
| C17 | C23 | C25 | CL | 179.9° | 179.1° |
| C17 | C23 | C25 | H11 | 179.8° | 179.5° |
| C19 | C25 | C23 | H11 | 180.0° | 179.9° |
| C19 | C25 | C23 | CL | 180.0° | 179.7° |
| C25 | C19 | H5 | H6 | 115.4° | 116.0° |
| C23 | C25 | C19 | H5 | 121.7° | 122.1° |
| C23 | C25 | C19 | H6 | 121.2° | 122.1° |
| CL | C23 | C25 | H11 | 0.0° | 0.4° |
| H1 | C10 | C11 | H3 | 178.5° | 174.2° |
| H1 | C10 | C11 | H4 | 62.1° | 53.7° |
| H2 | C10 | C11 | H3 | 61.4° | 54.2° |
| H2 | C10 | C11 | H4 | 58.0° | 66.3° |
| H5 | C19 | C25 | H11 | 58.3° | 57.9° |
| H6 | C19 | C25 | H11 | 58.8° | 57.9° |
| H7 | C21 | C22 | H9 | 62.1° | 66.4° |
| H7 | C21 | C22 | H10 | 177.2° | 53.6° |
| H8 | C21 | C22 | H9 | 57.2° | 53.9° |
| H8 | C21 | C22 | H10 | 63.5° | 173.9° |
| H12 | C1 | C6 | H15 | 0.1° | 0.0° |
| H13 | C4 | C5 | H14 | 0.3° | 0.0° |
| H14 | C5 | C6 | H15 | 0.3° | 0.1° |
