DL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | doub | 1.37Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.41Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | N15 | sing | 1.40Å | 1.44Å | |
| C22 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| N15 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C17 | N18 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | N18 | doub | 1.30Å | 1.31Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | O7 | sing | 1.34Å | 1.36Å | |
| C8 | C9 | doub | 1.35Å | 1.32Å | |
| O7 | C4 | sing | 1.35Å | 1.37Å | |
| C9 | C10 | sing | 1.42Å | 1.48Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.48Å | 1.47Å | |
| C10 | O11 | doub | 1.22Å | 1.23Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | CL | sing | 1.74Å | 1.74Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 121.8° | 120.5° |
| C20 | C19 | C16 | 117.7° | 119.7° |
| C19 | C20 | H5 | 119.1° | 119.7° |
| C20 | C19 | H10 | 121.1° | 120.2° |
| C20 | C21 | C29 | 120.6° | 119.7° |
| C20 | C21 | C22 | 118.8° | 120.7° |
| C21 | C20 | H5 | 119.1° | 119.8° |
| C19 | C16 | N15 | 132.9° | 134.2° |
| C19 | C16 | C17 | 122.3° | 119.9° |
| C16 | C19 | H10 | 121.1° | 120.2° |
| C29 | C21 | C22 | 120.5° | 119.6° |
| C21 | C29 | H11 | 109.5° | 109.5° |
| C21 | C29 | H12 | 109.5° | 109.5° |
| C21 | C29 | H13 | 109.5° | 109.5° |
| C21 | C22 | C17 | 120.6° | 119.9° |
| C21 | C22 | H14 | 119.7° | 120.1° |
| C27 | C26 | C25 | 119.9° | 120.1° |
| C26 | C27 | C28 | 120.5° | 120.1° |
| C27 | C26 | H17 | 120.1° | 120.0° |
| C26 | C27 | H18 | 119.8° | 119.9° |
| C26 | C25 | C24 | 120.4° | 120.1° |
| C26 | C25 | H16 | 119.8° | 119.9° |
| C25 | C26 | H17 | 120.1° | 120.0° |
| C27 | C28 | C23 | 119.5° | 119.9° |
| C28 | C27 | H18 | 119.8° | 120.0° |
| C27 | C28 | H19 | 120.3° | 120.0° |
| C25 | C24 | C23 | 119.7° | 119.9° |
| C25 | C24 | H15 | 120.2° | 120.0° |
| C24 | C25 | H16 | 119.8° | 119.9° |
| C28 | C23 | C24 | 120.1° | 119.9° |
| C28 | C23 | N15 | 120.1° | 120.0° |
| C23 | C28 | H19 | 120.2° | 120.1° |
| N15 | C16 | C17 | 104.8° | 106.0° |
| C16 | N15 | C23 | 124.5° | 126.3° |
| C16 | N15 | C14 | 106.7° | 107.3° |
| C16 | C17 | C22 | 118.8° | 119.4° |
| C16 | C17 | N18 | 110.8° | 107.0° |
| C24 | C23 | N15 | 119.6° | 120.1° |
| C23 | C24 | H15 | 120.2° | 120.1° |
| C23 | N15 | C14 | 128.5° | 126.4° |
| C22 | C17 | N18 | 130.3° | 133.6° |
| C17 | C22 | H14 | 119.7° | 120.1° |
| N15 | C14 | N18 | 112.7° | 110.1° |
| N15 | C14 | C13 | 122.8° | 125.0° |
| C17 | N18 | C14 | 104.9° | 109.7° |
| N18 | C14 | C13 | 124.2° | 124.9° |
| C14 | C13 | C12 | 111.6° | 109.4° |
| C14 | C13 | H3 | 108.9° | 109.5° |
| C14 | C13 | H4 | 108.9° | 109.4° |
| C13 | C12 | C9 | 114.1° | 109.5° |
| C13 | C12 | H1 | 108.3° | 109.5° |
| C13 | C12 | H2 | 108.3° | 109.5° |
| C12 | C13 | H3 | 108.9° | 109.5° |
| C12 | C13 | H4 | 109.0° | 109.5° |
| C12 | C9 | C8 | 124.8° | 120.2° |
| C12 | C9 | C10 | 116.4° | 120.2° |
| C9 | C12 | H1 | 108.3° | 109.4° |
| C9 | C12 | H2 | 108.3° | 109.5° |
| O7 | C8 | C9 | 126.5° | 122.9° |
| C8 | O7 | C4 | 117.7° | 122.4° |
| O7 | C8 | H6 | 116.8° | 118.5° |
| C8 | C9 | C10 | 118.8° | 119.6° |
| C9 | C8 | H6 | 116.8° | 118.6° |
| O7 | C4 | C3 | 116.2° | 120.9° |
| O7 | C4 | C5 | 122.1° | 119.7° |
| C9 | C10 | C5 | 115.2° | 117.1° |
| C9 | C10 | O11 | 122.4° | 121.4° |
| C3 | C4 | C5 | 121.6° | 119.4° |
| C4 | C3 | C2 | 118.9° | 119.9° |
| C4 | C3 | H8 | 120.6° | 120.1° |
| C4 | C5 | C10 | 119.6° | 118.3° |
| C4 | C5 | C6 | 119.0° | 120.3° |
| C5 | C10 | O11 | 122.2° | 121.4° |
| C10 | C5 | C6 | 121.4° | 121.5° |
| C3 | C2 | C1 | 119.4° | 120.7° |
| C2 | C3 | H8 | 120.6° | 120.0° |
| C3 | C2 | H9 | 120.3° | 119.6° |
| C5 | C6 | C1 | 119.2° | 119.5° |
| C5 | C6 | H7 | 120.4° | 120.2° |
| C2 | C1 | C6 | 121.9° | 120.2° |
| C2 | C1 | CL | 119.3° | 119.9° |
| C1 | C2 | H9 | 120.3° | 119.6° |
| C6 | C1 | CL | 118.7° | 119.9° |
| C1 | C6 | H7 | 120.4° | 120.3° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H11 | C29 | H12 | 109.4° | 109.5° |
| H11 | C29 | H13 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H5 | 180.0° | 180.0° |
| C20 | C19 | C16 | H10 | 180.0° | 180.0° |
| C19 | C20 | C21 | C29 | 174.2° | 180.0° |
| C19 | C20 | C21 | C22 | 2.2° | 0.1° |
| C20 | C19 | C16 | N15 | 179.6° | 180.0° |
| C20 | C19 | C16 | C17 | 0.5° | 0.0° |
| C21 | C20 | C19 | C16 | 0.9° | 0.0° |
| C20 | C21 | C29 | C22 | 176.3° | 180.0° |
| C20 | C21 | C22 | C17 | 2.0° | 0.1° |
| C21 | C20 | C19 | H10 | 179.1° | 180.0° |
| C20 | C21 | C29 | H11 | 91.9° | 90.0° |
| C20 | C21 | C29 | H12 | 148.2° | 149.9° |
| C20 | C21 | C29 | H13 | 28.2° | 30.0° |
| C20 | C21 | C22 | H14 | 178.0° | 180.0° |
| C19 | C16 | N15 | C17 | 179.9° | 180.0° |
| C19 | C16 | N15 | C23 | 7.4° | 0.1° |
| C19 | C16 | C17 | C22 | 0.7° | 0.0° |
| C19 | C16 | N15 | C14 | 178.6° | 180.0° |
| C19 | C16 | C17 | N18 | 179.7° | 180.0° |
| C16 | C19 | C20 | H5 | 179.1° | 180.0° |
| C29 | C21 | C22 | C17 | 174.4° | 179.9° |
| C29 | C21 | C20 | H5 | 5.8° | 0.0° |
| C21 | C29 | H11 | H12 | 120.0° | 120.0° |
| C21 | C29 | H11 | H13 | 120.0° | 120.0° |
| C21 | C29 | H12 | H13 | 120.0° | 120.0° |
| C29 | C21 | C22 | H14 | 5.6° | 0.0° |
| C21 | C22 | C17 | C16 | 0.6° | 0.1° |
| C21 | C22 | C17 | H14 | 180.0° | 179.9° |
| C21 | C22 | C17 | N18 | 178.1° | 179.9° |
| C22 | C21 | C20 | H5 | 177.8° | 180.0° |
| C22 | C21 | C29 | H11 | 91.8° | 90.0° |
| C22 | C21 | C29 | H12 | 28.2° | 30.0° |
| C22 | C21 | C29 | H13 | 148.1° | 150.0° |
| C27 | C26 | C25 | H17 | 180.0° | 179.7° |
| C26 | C27 | C28 | H18 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.9° | 0.0° |
| C26 | C27 | C28 | C23 | 0.5° | 0.6° |
| C27 | C26 | C25 | H16 | 179.0° | 180.0° |
| C26 | C27 | C28 | H19 | 179.4° | 180.0° |
| C25 | C26 | C27 | C28 | 1.1° | 0.3° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.0° | 0.0° |
| C26 | C25 | C24 | H15 | 179.0° | 179.9° |
| C25 | C26 | C27 | H18 | 178.9° | 180.0° |
| C27 | C28 | C23 | H19 | 180.0° | 179.4° |
| C27 | C28 | C23 | C24 | 2.5° | 0.6° |
| C27 | C28 | C23 | N15 | 171.1° | 179.7° |
| C28 | C27 | C26 | H17 | 178.9° | 180.0° |
| C25 | C24 | C23 | C28 | 2.7° | 0.3° |
| C25 | C24 | C23 | H15 | 180.0° | 179.9° |
| C25 | C24 | C23 | N15 | 170.9° | 180.0° |
| C24 | C25 | C26 | H17 | 179.1° | 179.7° |
| C28 | C23 | N15 | C16 | 117.6° | 114.7° |
| C28 | C23 | C24 | N15 | 173.6° | 179.7° |
| C28 | C23 | N15 | C14 | 69.8° | 65.3° |
| C28 | C23 | C24 | H15 | 177.3° | 179.8° |
| C23 | C28 | C27 | H18 | 179.4° | 179.7° |
| C16 | N15 | C23 | C24 | 68.9° | 65.0° |
| C16 | N15 | C23 | C14 | 172.7° | 180.0° |
| N15 | C16 | C17 | C22 | 179.4° | 180.0° |
| N15 | C16 | C17 | N18 | 0.4° | 0.0° |
| C16 | N15 | C14 | N18 | 2.2° | 0.0° |
| C16 | N15 | C14 | C13 | 171.5° | 179.8° |
| N15 | C16 | C19 | H10 | 0.5° | 0.0° |
| C17 | C16 | N15 | C23 | 172.5° | 180.0° |
| C16 | C17 | C22 | N18 | 178.8° | 180.0° |
| C17 | C16 | N15 | C14 | 1.5° | 0.0° |
| C16 | C17 | N18 | C14 | 0.9° | 0.0° |
| C17 | C16 | C19 | H10 | 179.4° | 180.0° |
| C16 | C17 | C22 | H14 | 179.4° | 180.0° |
| C24 | C23 | N15 | C14 | 103.8° | 115.0° |
| C23 | C24 | C25 | H16 | 179.0° | 180.0° |
| C24 | C23 | C28 | H19 | 177.5° | 180.0° |
| C23 | N15 | C14 | N18 | 171.5° | 180.0° |
| C23 | N15 | C14 | C13 | 14.8° | 0.3° |
| N15 | C23 | C24 | H15 | 9.1° | 0.0° |
| N15 | C23 | C28 | H19 | 8.9° | 0.3° |
| C22 | C17 | N18 | C14 | 178.0° | 180.0° |
| N15 | C14 | N18 | C17 | 1.9° | 0.0° |
| N15 | C14 | N18 | C13 | 173.6° | 179.8° |
| N15 | C14 | C13 | C12 | 107.0° | 89.7° |
| N15 | C14 | C13 | H3 | 132.7° | 150.2° |
| N15 | C14 | C13 | H4 | 13.4° | 30.2° |
| C17 | N18 | C14 | C13 | 171.7° | 179.8° |
| N18 | C17 | C22 | H14 | 1.9° | 0.0° |
| N18 | C14 | C13 | C12 | 66.1° | 90.0° |
| N18 | C14 | C13 | H3 | 54.2° | 30.0° |
| N18 | C14 | C13 | H4 | 173.6° | 150.0° |
| C14 | C13 | C12 | H3 | 120.3° | 120.0° |
| C14 | C13 | C12 | H4 | 120.3° | 119.9° |
| C14 | C13 | C12 | C9 | 166.6° | 180.0° |
| C14 | C13 | C12 | H1 | 45.9° | 60.1° |
| C14 | C13 | C12 | H2 | 72.7° | 60.0° |
| C14 | C13 | H3 | H4 | 119.0° | 120.0° |
| C13 | C12 | C9 | H1 | 120.7° | 120.0° |
| C13 | C12 | C9 | H2 | 120.7° | 120.0° |
| C13 | C12 | C9 | C8 | 110.3° | 94.9° |
| C13 | C12 | C9 | C10 | 69.5° | 85.0° |
| C13 | C12 | H1 | H2 | 117.9° | 120.0° |
| C12 | C13 | H3 | H4 | 119.0° | 120.0° |
| C12 | C9 | C8 | O7 | 179.8° | 179.9° |
| C12 | C9 | C8 | C10 | 179.8° | 179.9° |
| C12 | C9 | C10 | C5 | 178.1° | 180.0° |
| C12 | C9 | C10 | O11 | 7.4° | 0.4° |
| C9 | C12 | H1 | H2 | 117.9° | 120.0° |
| C9 | C12 | C13 | H3 | 73.1° | 60.0° |
| C9 | C12 | C13 | H4 | 46.2° | 60.1° |
| C12 | C9 | C8 | H6 | 0.3° | 0.0° |
| O7 | C8 | C9 | H6 | 180.0° | 179.9° |
| O7 | C8 | C9 | C10 | 0.5° | 0.0° |
| C8 | O7 | C4 | C3 | 177.9° | 180.0° |
| C8 | O7 | C4 | C5 | 0.7° | 0.0° |
| C9 | C8 | O7 | C4 | 1.1° | 0.1° |
| C8 | C9 | C10 | C5 | 1.7° | 0.0° |
| C8 | C9 | C10 | O11 | 172.8° | 179.7° |
| C8 | C9 | C12 | H1 | 10.3° | 25.0° |
| C8 | C9 | C12 | H2 | 129.0° | 145.0° |
| O7 | C4 | C3 | C5 | 178.7° | 180.0° |
| O7 | C4 | C5 | C10 | 2.9° | 0.0° |
| O7 | C4 | C3 | C2 | 179.6° | 180.0° |
| O7 | C4 | C5 | C6 | 178.6° | 179.7° |
| C4 | O7 | C8 | H6 | 178.9° | 179.9° |
| O7 | C4 | C3 | H8 | 0.4° | 0.1° |
| C9 | C10 | C5 | C4 | 3.3° | 0.0° |
| C9 | C10 | C5 | O11 | 174.5° | 179.7° |
| C9 | C10 | C5 | C6 | 178.3° | 179.7° |
| C10 | C9 | C12 | H1 | 169.9° | 155.0° |
| C10 | C9 | C12 | H2 | 51.2° | 35.0° |
| C10 | C9 | C8 | H6 | 179.5° | 179.9° |
| C3 | C4 | C5 | C10 | 175.7° | 180.0° |
| C4 | C3 | C2 | H8 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.8° | 0.3° |
| C4 | C3 | C2 | C1 | 0.9° | 0.3° |
| C4 | C3 | C2 | H9 | 179.0° | 180.0° |
| C4 | C5 | C10 | C6 | 178.5° | 179.7° |
| C4 | C5 | C10 | O11 | 171.2° | 179.7° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C4 | C5 | C6 | C1 | 2.8° | 0.2° |
| C4 | C5 | C6 | H7 | 177.1° | 179.7° |
| C5 | C4 | C3 | H8 | 179.1° | 180.0° |
| C10 | C5 | C6 | C1 | 175.6° | 180.0° |
| C10 | C5 | C6 | H7 | 4.4° | 0.0° |
| O11 | C10 | C5 | C6 | 7.3° | 0.0° |
| C3 | C2 | C1 | H9 | 180.0° | 179.8° |
| C3 | C2 | C1 | C6 | 0.9° | 0.3° |
| C3 | C2 | C1 | CL | 178.1° | 179.7° |
| C5 | C6 | C1 | C2 | 1.1° | 0.1° |
| C5 | C6 | C1 | H7 | 180.0° | 179.9° |
| C5 | C6 | C1 | CL | 176.2° | 180.0° |
| C2 | C1 | C6 | CL | 177.2° | 180.0° |
| C2 | C1 | C6 | H7 | 178.9° | 180.0° |
| C1 | C2 | C3 | H8 | 179.0° | 179.6° |
| C6 | C1 | C2 | H9 | 179.1° | 179.9° |
| CL | C1 | C6 | H7 | 3.8° | 0.0° |
| CL | C1 | C2 | H9 | 1.9° | 0.1° |
| H1 | C12 | C13 | H3 | 166.2° | 59.9° |
| H1 | C12 | C13 | H4 | 74.4° | 180.0° |
| H2 | C12 | C13 | H3 | 47.5° | 180.0° |
| H2 | C12 | C13 | H4 | 166.9° | 60.0° |
| H5 | C20 | C19 | H10 | 0.9° | 0.0° |
| H8 | C3 | C2 | H9 | 1.0° | 0.1° |
| H11 | C29 | H12 | H13 | 120.0° | 120.0° |
| H15 | C24 | C25 | H16 | 1.0° | 0.1° |
| H16 | C25 | C26 | H17 | 0.9° | 0.3° |
| H17 | C26 | C27 | H18 | 1.1° | 0.2° |
| H18 | C27 | C28 | H19 | 0.6° | 0.3° |
