D2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| O7 | C8 | sing | 1.43Å | 1.45Å | |
| O7 | C6 | sing | 1.36Å | 1.38Å | |
| C8 | C11 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | N12 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O10 | sing | 1.36Å | 1.38Å | |
| O10 | C9 | sing | 1.43Å | 1.45Å | |
| N12 | C13 | sing | 1.35Å | 1.34Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C13 | O15 | doub | 1.22Å | 1.23Å | |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O21 | sing | 1.43Å | 1.44Å | |
| C26 | N24 | sing | 1.47Å | 1.47Å | |
| C18 | O21 | sing | 1.36Å | 1.38Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | N24 | sing | 1.47Å | 1.48Å | |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| N12 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| N24 | H19 | sing | 1.01Å | 1.00Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 120.6° | 120.1° |
| C2 | C3 | C6 | 119.6° | 120.1° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C2 | C1 | C4 | 120.5° | 120.1° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C3 | C6 | O7 | 118.6° | 119.4° |
| C3 | C6 | C5 | 119.9° | 119.8° |
| C6 | C3 | H3 | 120.3° | 120.0° |
| C1 | C4 | C5 | 119.5° | 120.1° |
| C4 | C1 | H1 | 119.7° | 119.9° |
| C1 | C4 | H4 | 120.2° | 120.0° |
| C8 | O7 | C6 | 116.1° | 116.7° |
| O7 | C8 | C11 | 100.2° | 109.7° |
| O7 | C8 | C9 | 116.2° | 108.3° |
| O7 | C8 | H5 | 107.0° | 109.7° |
| O7 | C6 | C5 | 121.4° | 120.8° |
| C11 | C8 | C9 | 120.2° | 109.7° |
| C8 | C11 | N12 | 113.4° | 109.5° |
| C11 | C8 | H5 | 106.2° | 109.7° |
| C8 | C11 | H8 | 108.5° | 109.4° |
| C8 | C11 | H9 | 108.5° | 109.5° |
| C8 | C9 | O10 | 113.5° | 108.3° |
| C9 | C8 | H5 | 106.1° | 109.8° |
| C8 | C9 | H6 | 108.5° | 109.7° |
| C8 | C9 | H7 | 108.4° | 109.7° |
| C6 | C5 | C4 | 119.9° | 119.8° |
| C6 | C5 | O10 | 122.2° | 120.8° |
| C11 | N12 | C13 | 123.3° | 120.0° |
| N12 | C11 | H8 | 108.5° | 109.5° |
| N12 | C11 | H9 | 108.5° | 109.5° |
| C11 | N12 | H10 | 118.4° | 120.1° |
| C4 | C5 | O10 | 117.9° | 119.4° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C5 | O10 | C9 | 119.6° | 116.7° |
| O10 | C9 | H6 | 108.4° | 109.6° |
| O10 | C9 | H7 | 108.5° | 109.8° |
| N12 | C13 | C14 | 116.5° | 120.0° |
| N12 | C13 | O15 | 122.8° | 120.0° |
| C13 | N12 | H10 | 118.3° | 119.9° |
| C19 | C20 | C14 | 120.7° | 119.9° |
| C20 | C19 | C18 | 119.7° | 120.1° |
| C20 | C19 | H13 | 120.1° | 120.0° |
| C19 | C20 | H14 | 119.6° | 120.0° |
| C20 | C14 | C13 | 121.5° | 120.1° |
| C20 | C14 | C16 | 118.8° | 119.9° |
| C14 | C20 | H14 | 119.6° | 120.1° |
| C14 | C13 | O15 | 120.7° | 120.0° |
| C13 | C14 | C16 | 119.5° | 120.1° |
| C19 | C18 | O21 | 128.9° | 119.9° |
| C19 | C18 | C17 | 120.1° | 120.1° |
| C18 | C19 | H13 | 120.2° | 119.9° |
| C14 | C16 | C17 | 120.7° | 119.9° |
| C14 | C16 | H11 | 119.7° | 120.1° |
| C23 | C22 | O21 | 107.2° | 109.5° |
| C22 | C23 | N24 | 120.0° | 109.4° |
| C23 | C22 | H15 | 110.0° | 109.5° |
| C23 | C22 | H16 | 110.0° | 109.4° |
| C22 | C23 | H17 | 106.8° | 109.5° |
| C22 | C23 | H18 | 106.8° | 109.4° |
| C22 | O21 | C18 | 120.1° | 117.0° |
| O21 | C22 | H15 | 110.0° | 109.5° |
| O21 | C22 | H16 | 110.0° | 109.4° |
| C26 | N24 | C23 | 112.1° | 109.4° |
| C26 | N24 | C25 | 110.5° | 109.5° |
| C26 | N24 | H19 | 107.5° | 109.4° |
| N24 | C26 | H23 | 109.5° | 109.5° |
| N24 | C26 | H24 | 109.5° | 109.5° |
| N24 | C26 | H25 | 109.5° | 109.5° |
| O21 | C18 | C17 | 110.8° | 119.9° |
| C18 | C17 | C16 | 119.9° | 120.1° |
| C18 | C17 | H12 | 120.1° | 119.9° |
| C17 | C16 | H11 | 119.7° | 120.0° |
| C16 | C17 | H12 | 120.1° | 120.0° |
| C23 | N24 | C25 | 111.4° | 109.5° |
| N24 | C23 | H17 | 106.8° | 109.5° |
| N24 | C23 | H18 | 106.8° | 109.5° |
| C23 | N24 | H19 | 107.5° | 109.5° |
| C25 | N24 | H19 | 107.5° | 109.5° |
| N24 | C25 | H20 | 109.5° | 109.5° |
| N24 | C25 | H21 | 109.5° | 109.5° |
| N24 | C25 | H22 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.7° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 109.4° |
| H20 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.4° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H25 | 109.5° | 109.4° |
| H24 | C26 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C2 | C3 | C6 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | C4 | 0.2° | 0.1° |
| C2 | C3 | C6 | O7 | 178.1° | 179.6° |
| C2 | C3 | C6 | C5 | 0.5° | 0.0° |
| C3 | C2 | C1 | H1 | 179.8° | 179.8° |
| C1 | C2 | C3 | C6 | 0.7° | 0.1° |
| C2 | C1 | C4 | H1 | 180.0° | 179.8° |
| C2 | C1 | C4 | C5 | 0.6° | 0.3° |
| C1 | C2 | C3 | H3 | 179.3° | 179.9° |
| C2 | C1 | C4 | H4 | 179.4° | 179.7° |
| C3 | C6 | O7 | C8 | 160.3° | 162.9° |
| C3 | C6 | O7 | C5 | 178.6° | 179.6° |
| C3 | C6 | C5 | C4 | 0.2° | 0.3° |
| C3 | C6 | C5 | O10 | 176.4° | 179.7° |
| C6 | C3 | C2 | H2 | 179.3° | 180.0° |
| C1 | C4 | C5 | C6 | 0.8° | 0.4° |
| C1 | C4 | C5 | H4 | 180.0° | 180.0° |
| C1 | C4 | C5 | O10 | 176.0° | 179.8° |
| C4 | C1 | C2 | H2 | 179.8° | 179.9° |
| O7 | C8 | C11 | C9 | 128.6° | 118.8° |
| O7 | C8 | C11 | H5 | 111.1° | 120.6° |
| O7 | C8 | C9 | H5 | 118.7° | 119.8° |
| C8 | O7 | C6 | C5 | 18.2° | 17.5° |
| O7 | C8 | C11 | N12 | 157.7° | 65.0° |
| O7 | C8 | C9 | O10 | 37.2° | 59.6° |
| O7 | C8 | C9 | H6 | 83.3° | 60.0° |
| O7 | C8 | C9 | H7 | 157.8° | 179.4° |
| O7 | C8 | C11 | H8 | 37.1° | 175.0° |
| O7 | C8 | C11 | H9 | 81.8° | 55.1° |
| C6 | O7 | C8 | C11 | 166.9° | 165.9° |
| C6 | O7 | C8 | C9 | 35.8° | 46.2° |
| O7 | C6 | C5 | C4 | 178.8° | 179.9° |
| O7 | C6 | C5 | O10 | 2.1° | 0.8° |
| O7 | C6 | C3 | H3 | 1.9° | 0.4° |
| C6 | O7 | C8 | H5 | 82.5° | 73.6° |
| C11 | C8 | C9 | H5 | 120.3° | 120.6° |
| C8 | C11 | N12 | H8 | 120.6° | 120.0° |
| C8 | C11 | N12 | H9 | 120.6° | 120.0° |
| C11 | C8 | C9 | O10 | 158.2° | 179.3° |
| C8 | C11 | N12 | C13 | 92.7° | 180.0° |
| C11 | C8 | C9 | H6 | 37.6° | 59.7° |
| C11 | C8 | C9 | H7 | 81.2° | 60.9° |
| C8 | C11 | H8 | H9 | 118.2° | 120.0° |
| C8 | C11 | N12 | H10 | 87.3° | 0.0° |
| C9 | C8 | C11 | N12 | 29.1° | 176.2° |
| C8 | C9 | O10 | C5 | 21.6° | 46.2° |
| C8 | C9 | O10 | H6 | 120.6° | 119.6° |
| C8 | C9 | O10 | H7 | 120.6° | 119.8° |
| C8 | C9 | H6 | H7 | 118.2° | 120.6° |
| C9 | C8 | C11 | H8 | 91.5° | 56.2° |
| C9 | C8 | C11 | H9 | 149.7° | 63.8° |
| C6 | C5 | C4 | O10 | 176.8° | 179.4° |
| C6 | C5 | O10 | C9 | 4.6° | 17.5° |
| C5 | C6 | C3 | H3 | 179.5° | 180.0° |
| C6 | C5 | C4 | H4 | 179.2° | 179.6° |
| C11 | N12 | C13 | H10 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 178.2° | 180.0° |
| C11 | N12 | C13 | O15 | 2.5° | 0.0° |
| N12 | C11 | C8 | H5 | 91.2° | 55.6° |
| N12 | C11 | H8 | H9 | 118.2° | 120.0° |
| C4 | C5 | O10 | C9 | 178.7° | 163.1° |
| C5 | C4 | C1 | H1 | 179.4° | 179.9° |
| O10 | C5 | C4 | H4 | 4.0° | 0.2° |
| C5 | O10 | C9 | H6 | 99.0° | 73.4° |
| C5 | O10 | C9 | H7 | 142.2° | 166.0° |
| O10 | C9 | C8 | H5 | 81.5° | 60.2° |
| O10 | C9 | H6 | H7 | 118.2° | 120.7° |
| N12 | C13 | C14 | C20 | 50.1° | 0.2° |
| N12 | C13 | C14 | O15 | 179.3° | 179.9° |
| N12 | C13 | C14 | C16 | 125.8° | 180.0° |
| C13 | N12 | C11 | H8 | 27.9° | 60.0° |
| C13 | N12 | C11 | H9 | 146.7° | 60.0° |
| C19 | C20 | C14 | H14 | 180.0° | 179.4° |
| C19 | C20 | C14 | C13 | 173.6° | 179.6° |
| C20 | C19 | C18 | H13 | 180.0° | 179.6° |
| C19 | C20 | C14 | C16 | 2.3° | 0.5° |
| C20 | C19 | C18 | O21 | 171.9° | 179.7° |
| C20 | C19 | C18 | C17 | 2.2° | 0.3° |
| C20 | C14 | C13 | C16 | 175.9° | 179.8° |
| C20 | C14 | C13 | O15 | 130.5° | 179.7° |
| C14 | C20 | C19 | C18 | 0.2° | 0.6° |
| C20 | C14 | C16 | C17 | 2.1° | 0.2° |
| C20 | C14 | C16 | H11 | 177.9° | 179.8° |
| C14 | C20 | C19 | H13 | 179.8° | 179.8° |
| C13 | C14 | C16 | C17 | 173.9° | 180.0° |
| C14 | C13 | N12 | H10 | 1.8° | 0.0° |
| C13 | C14 | C16 | H11 | 6.1° | 0.1° |
| C13 | C14 | C20 | H14 | 6.4° | 0.2° |
| O15 | C13 | C14 | C16 | 53.6° | 0.1° |
| O15 | C13 | N12 | H10 | 177.5° | 180.0° |
| C19 | C18 | O21 | C22 | 5.8° | 0.1° |
| C19 | C18 | O21 | C17 | 174.6° | 180.0° |
| C19 | C18 | C17 | C16 | 2.4° | 0.0° |
| C19 | C18 | C17 | H12 | 177.6° | 180.0° |
| C18 | C19 | C20 | H14 | 179.8° | 180.0° |
| C14 | C16 | C17 | C18 | 0.2° | 0.1° |
| C14 | C16 | C17 | H11 | 180.0° | 180.0° |
| C14 | C16 | C17 | H12 | 179.8° | 179.9° |
| C16 | C14 | C20 | H14 | 177.7° | 180.0° |
| C23 | C22 | O21 | H15 | 119.7° | 120.1° |
| C23 | C22 | O21 | H16 | 119.6° | 120.0° |
| C22 | C23 | N24 | C26 | 39.4° | 173.9° |
| C23 | C22 | O21 | C18 | 178.7° | 180.0° |
| C22 | C23 | N24 | H17 | 121.5° | 120.0° |
| C22 | C23 | N24 | H18 | 121.5° | 119.9° |
| C22 | C23 | N24 | C25 | 163.8° | 66.1° |
| C23 | C22 | H15 | H16 | 121.1° | 120.0° |
| C22 | C23 | H17 | H18 | 115.2° | 120.0° |
| C22 | C23 | N24 | H19 | 78.6° | 53.9° |
| C22 | O21 | C18 | C17 | 179.6° | 180.0° |
| O21 | C22 | C23 | N24 | 142.5° | 63.8° |
| O21 | C22 | H15 | H16 | 121.0° | 120.0° |
| O21 | C22 | C23 | H17 | 21.1° | 176.2° |
| O21 | C22 | C23 | H18 | 96.0° | 56.1° |
| C26 | N24 | C23 | C25 | 124.4° | 120.0° |
| C26 | N24 | C23 | H19 | 118.0° | 119.9° |
| C26 | N24 | C25 | H19 | 117.1° | 120.0° |
| C26 | N24 | C23 | H17 | 160.9° | 66.2° |
| C26 | N24 | C23 | H18 | 82.1° | 53.9° |
| C26 | N24 | C25 | H20 | 180.0° | 60.0° |
| C26 | N24 | C25 | H21 | 60.0° | 59.9° |
| C26 | N24 | C25 | H22 | 60.0° | 180.0° |
| N24 | C26 | H23 | H24 | 120.0° | 120.1° |
| N24 | C26 | H23 | H25 | 120.0° | 120.0° |
| N24 | C26 | H24 | H25 | 120.0° | 120.1° |
| O21 | C18 | C17 | C16 | 172.7° | 179.9° |
| O21 | C18 | C17 | H12 | 7.3° | 0.1° |
| O21 | C18 | C19 | H13 | 8.1° | 0.1° |
| C18 | O21 | C22 | H15 | 61.7° | 59.9° |
| C18 | O21 | C22 | H16 | 59.0° | 60.0° |
| C18 | C17 | C16 | H12 | 180.0° | 180.0° |
| C18 | C17 | C16 | H11 | 179.8° | 180.0° |
| C17 | C18 | C19 | H13 | 177.8° | 179.9° |
| C23 | N24 | C25 | H19 | 117.5° | 120.1° |
| N24 | C23 | C22 | H15 | 22.9° | 56.2° |
| N24 | C23 | C22 | H16 | 97.8° | 176.2° |
| N24 | C23 | H17 | H18 | 115.2° | 120.1° |
| C23 | N24 | C25 | H20 | 54.6° | 60.0° |
| C23 | N24 | C25 | H21 | 65.4° | 179.9° |
| C23 | N24 | C25 | H22 | 174.6° | 60.0° |
| C23 | N24 | C26 | H23 | 180.0° | 59.6° |
| C23 | N24 | C26 | H24 | 60.0° | 60.4° |
| C23 | N24 | C26 | H25 | 60.0° | 179.5° |
| C25 | N24 | C23 | H17 | 74.7° | 53.9° |
| C25 | N24 | C23 | H18 | 42.3° | 174.0° |
| N24 | C25 | H20 | H21 | 120.0° | 120.0° |
| N24 | C25 | H20 | H22 | 120.0° | 120.0° |
| N24 | C25 | H21 | H22 | 120.0° | 120.0° |
| C25 | N24 | C26 | H23 | 55.1° | 60.4° |
| C25 | N24 | C26 | H24 | 64.9° | 179.5° |
| C25 | N24 | C26 | H25 | 175.1° | 59.5° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| H1 | C1 | C4 | H4 | 0.6° | 0.0° |
| H2 | C2 | C3 | H3 | 0.7° | 0.0° |
| H5 | C8 | C9 | H6 | 157.9° | 179.7° |
| H5 | C8 | C9 | H7 | 39.1° | 59.7° |
| H5 | C8 | C11 | H8 | 148.2° | 64.4° |
| H5 | C8 | C11 | H9 | 29.4° | 175.6° |
| H8 | C11 | N12 | H10 | 152.1° | 120.0° |
| H9 | C11 | N12 | H10 | 33.3° | 120.0° |
| H11 | C16 | C17 | H12 | 0.2° | 0.0° |
| H13 | C19 | C20 | H14 | 0.2° | 0.4° |
| H15 | C22 | C23 | H17 | 98.6° | 63.8° |
| H15 | C22 | C23 | H18 | 144.4° | 176.2° |
| H16 | C22 | C23 | H17 | 140.7° | 56.2° |
| H16 | C22 | C23 | H18 | 23.6° | 63.8° |
| H17 | C23 | N24 | H19 | 42.9° | 173.9° |
| H18 | C23 | N24 | H19 | 159.9° | 66.0° |
| H19 | N24 | C25 | H20 | 62.9° | 179.9° |
| H19 | N24 | C25 | H21 | 177.1° | 60.0° |
| H19 | N24 | C25 | H22 | 57.1° | 60.0° |
| H19 | N24 | C26 | H23 | 62.0° | 179.6° |
| H19 | N24 | C26 | H24 | 178.0° | 59.5° |
| H19 | N24 | C26 | H25 | 58.0° | 60.5° |
| H20 | C25 | H21 | H22 | 119.9° | 120.0° |
| H23 | C26 | H24 | H25 | 120.0° | 119.9° |
