30Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C19 | sing | 1.36Å | 1.37Å | |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.49Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.36Å | |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O9 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | doub | 1.39Å | 1.48Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O7 | sing | 1.36Å | 1.37Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C19 | C18 | 120.5° | 120.1° |
| O25 | C19 | C20 | 120.5° | 120.1° |
| C19 | O25 | H25 | 109.5° | 114.0° |
| C18 | C19 | C20 | 118.9° | 119.9° |
| C19 | C18 | C17 | 119.8° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C19 | C20 | O23 | 121.0° | 120.1° |
| C19 | C20 | C21 | 119.2° | 119.9° |
| C18 | C17 | C22 | 121.1° | 120.1° |
| C18 | C17 | C15 | 120.0° | 119.9° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| O23 | C20 | C21 | 119.7° | 120.1° |
| C20 | O23 | H23 | 109.5° | 113.9° |
| C20 | C21 | C22 | 119.7° | 120.0° |
| C20 | C21 | H21 | 120.1° | 120.0° |
| C21 | C22 | C17 | 121.3° | 120.2° |
| C22 | C21 | H21 | 120.2° | 120.0° |
| C21 | C22 | H22 | 119.3° | 119.9° |
| C22 | C17 | C15 | 118.9° | 119.9° |
| C17 | C22 | H22 | 119.3° | 120.0° |
| C17 | C15 | C14 | 108.8° | 109.5° |
| C17 | C15 | H151 | 109.6° | 109.5° |
| C17 | C15 | H152 | 109.7° | 109.5° |
| C15 | C14 | C16 | 110.0° | 109.5° |
| C15 | C14 | C12 | 113.1° | 109.5° |
| C14 | C15 | H151 | 109.7° | 109.5° |
| C14 | C15 | H152 | 109.6° | 109.4° |
| C15 | C14 | H14 | 107.6° | 109.5° |
| C16 | C14 | C12 | 110.8° | 109.5° |
| C16 | C14 | H14 | 107.6° | 109.5° |
| C14 | C16 | H161 | 109.5° | 109.4° |
| C14 | C16 | H162 | 109.5° | 109.5° |
| C14 | C16 | H163 | 109.5° | 109.5° |
| C14 | C12 | C13 | 107.1° | 109.4° |
| C14 | C12 | C11 | 113.3° | 109.5° |
| C12 | C14 | H14 | 107.5° | 109.5° |
| C14 | C12 | H12 | 108.8° | 109.4° |
| C13 | C12 | C11 | 109.9° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C11 | C3 | 114.5° | 109.5° |
| C11 | C12 | H12 | 108.8° | 109.5° |
| C12 | C11 | H111 | 108.2° | 109.5° |
| C12 | C11 | H112 | 108.2° | 109.4° |
| C11 | C3 | C2 | 121.0° | 119.9° |
| C11 | C3 | C4 | 119.3° | 119.9° |
| C3 | C11 | H111 | 108.2° | 109.5° |
| C3 | C11 | H112 | 108.2° | 109.5° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C3 | C2 | C1 | 121.3° | 120.2° |
| C3 | C2 | H2 | 119.3° | 119.9° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C2 | C1 | C6 | 120.8° | 120.0° |
| C1 | C2 | H2 | 119.3° | 119.9° |
| C2 | C1 | H1 | 119.6° | 120.0° |
| C4 | C5 | O9 | 121.0° | 120.1° |
| C4 | C5 | C6 | 118.7° | 119.9° |
| C5 | C4 | H4 | 119.4° | 119.9° |
| O9 | C5 | C6 | 120.3° | 120.0° |
| C5 | O9 | H9 | 109.5° | 114.0° |
| C5 | C6 | C1 | 118.3° | 119.8° |
| C5 | C6 | O7 | 120.9° | 120.1° |
| C1 | C6 | O7 | 120.8° | 120.1° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C6 | O7 | H7 | 109.5° | 114.0° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.4° | 109.5° |
| H162 | C16 | H163 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C19 | C18 | C20 | 179.9° | 179.8° |
| O25 | C19 | C18 | C17 | 180.0° | 180.0° |
| O25 | C19 | C20 | O23 | 0.3° | 0.0° |
| O25 | C19 | C20 | C21 | 180.0° | 179.9° |
| O25 | C19 | C18 | H18 | 0.0° | 0.0° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | O23 | 179.7° | 179.7° |
| C18 | C19 | C20 | C21 | 0.1° | 0.2° |
| C19 | C18 | C17 | C22 | 0.0° | 0.1° |
| C19 | C18 | C17 | C15 | 180.0° | 180.0° |
| C18 | C19 | O25 | H25 | 180.0° | 90.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.2° |
| C19 | C20 | O23 | C21 | 179.8° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C19 | O25 | H25 | 0.1° | 90.2° |
| C20 | C19 | C18 | H18 | 179.9° | 179.8° |
| C19 | C20 | O23 | H23 | 180.0° | 90.0° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C18 | C17 | C22 | C21 | 0.0° | 0.4° |
| C18 | C17 | C22 | C15 | 179.9° | 179.9° |
| C18 | C17 | C15 | C14 | 35.5° | 90.1° |
| C18 | C17 | C22 | H22 | 180.0° | 180.0° |
| C18 | C17 | C15 | H151 | 84.4° | 150.0° |
| C18 | C17 | C15 | H152 | 155.4° | 29.9° |
| O23 | C20 | C21 | C22 | 179.7° | 180.0° |
| O23 | C20 | C21 | H21 | 0.3° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C17 | 0.1° | 0.4° |
| C21 | C20 | O23 | H23 | 0.2° | 90.1° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C22 | C17 | H22 | 180.0° | 179.6° |
| C21 | C22 | C17 | C15 | 180.0° | 179.7° |
| C22 | C17 | C15 | C14 | 144.5° | 90.0° |
| C22 | C17 | C18 | H18 | 180.0° | 179.9° |
| C17 | C22 | C21 | H21 | 180.0° | 179.7° |
| C22 | C17 | C15 | H151 | 95.6° | 30.0° |
| C22 | C17 | C15 | H152 | 24.6° | 150.0° |
| C17 | C15 | C14 | H151 | 119.9° | 120.0° |
| C17 | C15 | C14 | H152 | 119.9° | 120.0° |
| C17 | C15 | C14 | C16 | 4.7° | 65.0° |
| C17 | C15 | C14 | C12 | 129.2° | 175.0° |
| C15 | C17 | C18 | H18 | 0.0° | 0.0° |
| C15 | C17 | C22 | H22 | 0.0° | 0.1° |
| C17 | C15 | H151 | H152 | 120.3° | 120.1° |
| C17 | C15 | C14 | H14 | 112.2° | 55.0° |
| C15 | C14 | C16 | C12 | 125.8° | 120.0° |
| C15 | C14 | C16 | H14 | 117.0° | 120.0° |
| C15 | C14 | C12 | H14 | 118.6° | 120.0° |
| C15 | C14 | C12 | C13 | 179.1° | 180.0° |
| C15 | C14 | C12 | C11 | 57.8° | 60.0° |
| C14 | C15 | H151 | H152 | 120.3° | 119.9° |
| C15 | C14 | C16 | H161 | 180.0° | 60.0° |
| C15 | C14 | C16 | H162 | 60.0° | 60.0° |
| C15 | C14 | C16 | H163 | 60.0° | 180.0° |
| C15 | C14 | C12 | H12 | 63.4° | 60.0° |
| C16 | C14 | C12 | H14 | 117.3° | 120.0° |
| C16 | C14 | C12 | C13 | 56.8° | 60.0° |
| C16 | C14 | C12 | C11 | 178.1° | 180.0° |
| C16 | C14 | C15 | H151 | 124.6° | 175.0° |
| C16 | C14 | C15 | H152 | 115.2° | 55.0° |
| C14 | C16 | H161 | H162 | 120.0° | 120.0° |
| C14 | C16 | H161 | H163 | 120.0° | 120.0° |
| C14 | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | C14 | C12 | H12 | 60.7° | 60.0° |
| C14 | C12 | C13 | C11 | 123.4° | 120.0° |
| C14 | C12 | C13 | H12 | 117.5° | 120.0° |
| C14 | C12 | C11 | H12 | 121.2° | 120.0° |
| C14 | C12 | C11 | C3 | 123.5° | 175.0° |
| C12 | C14 | C15 | H151 | 110.9° | 55.0° |
| C12 | C14 | C15 | H152 | 9.3° | 65.0° |
| C12 | C14 | C16 | H161 | 54.2° | 60.0° |
| C12 | C14 | C16 | H162 | 65.8° | 180.0° |
| C12 | C14 | C16 | H163 | 174.2° | 60.0° |
| C14 | C12 | C13 | H131 | 180.0° | 180.0° |
| C14 | C12 | C13 | H132 | 60.0° | 60.0° |
| C14 | C12 | C13 | H133 | 60.0° | 60.0° |
| C14 | C12 | C11 | H111 | 115.8° | 64.9° |
| C14 | C12 | C11 | H112 | 2.7° | 55.0° |
| C13 | C12 | C11 | H12 | 119.1° | 120.1° |
| C13 | C12 | C11 | C3 | 116.9° | 65.0° |
| C13 | C12 | C14 | H14 | 60.4° | 60.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C11 | H111 | 3.9° | 55.0° |
| C13 | C12 | C11 | H112 | 122.4° | 175.0° |
| C12 | C11 | C3 | H111 | 120.7° | 120.1° |
| C12 | C11 | C3 | H112 | 120.7° | 120.0° |
| C12 | C11 | C3 | C2 | 30.8° | 90.0° |
| C12 | C11 | C3 | C4 | 150.0° | 90.2° |
| C11 | C12 | C14 | H14 | 60.9° | 60.0° |
| C11 | C12 | C13 | H131 | 56.6° | 60.0° |
| C11 | C12 | C13 | H132 | 176.5° | 180.0° |
| C11 | C12 | C13 | H133 | 63.5° | 60.0° |
| C12 | C11 | H111 | H112 | 117.7° | 120.0° |
| C11 | C3 | C2 | C4 | 179.1° | 179.8° |
| C11 | C3 | C2 | C1 | 179.6° | 180.0° |
| C11 | C3 | C4 | C5 | 179.5° | 180.0° |
| C3 | C11 | C12 | H12 | 2.3° | 55.0° |
| C3 | C11 | H111 | H112 | 117.7° | 120.0° |
| C11 | C3 | C2 | H2 | 0.4° | 0.0° |
| C11 | C3 | C4 | H4 | 0.5° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C3 | C2 | C1 | C6 | 0.3° | 0.0° |
| C2 | C3 | C11 | H111 | 151.6° | 30.1° |
| C2 | C3 | C11 | H112 | 89.9° | 150.0° |
| C2 | C3 | C4 | H4 | 179.7° | 179.8° |
| C3 | C2 | C1 | H1 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O9 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C11 | H111 | 29.3° | 149.7° |
| C4 | C3 | C11 | H112 | 89.2° | 29.7° |
| C4 | C3 | C2 | H2 | 179.5° | 179.8° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | O7 | 179.7° | 180.0° |
| C4 | C5 | O9 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.2° |
| C4 | C5 | C6 | O7 | 179.8° | 180.0° |
| C4 | C5 | O9 | H9 | 180.0° | 90.0° |
| O9 | C5 | C6 | C1 | 179.9° | 179.8° |
| O9 | C5 | C6 | O7 | 0.2° | 0.1° |
| O9 | C5 | C4 | H4 | 0.1° | 0.0° |
| C5 | C6 | C1 | O7 | 179.7° | 179.8° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | C1 | H1 | 180.0° | 179.8° |
| C6 | C5 | O9 | H9 | 0.0° | 90.0° |
| C5 | C6 | O7 | H7 | 180.0° | 89.9° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C6 | O7 | H7 | 0.2° | 90.2° |
| O7 | C6 | C1 | H1 | 0.3° | 0.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.0° |
| H151 | C15 | C14 | H14 | 7.7° | 65.0° |
| H152 | C15 | C14 | H14 | 127.8° | 175.0° |
| H14 | C14 | C16 | H161 | 63.0° | 180.0° |
| H14 | C14 | C16 | H162 | 176.9° | 60.0° |
| H14 | C14 | C16 | H163 | 57.0° | 60.0° |
| H14 | C14 | C12 | H12 | 178.0° | 180.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H12 | C12 | C13 | H131 | 62.5° | 60.1° |
| H12 | C12 | C13 | H132 | 57.5° | 59.9° |
| H12 | C12 | C13 | H133 | 177.5° | 180.0° |
| H12 | C12 | C11 | H111 | 123.0° | 175.1° |
| H12 | C12 | C11 | H112 | 118.4° | 65.0° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| H2 | C2 | C1 | H1 | 0.3° | 0.0° |
