GA9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.45Å | |
| C1 | O1 | sing | 1.36Å | 1.37Å | |
| C1 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | doub | 1.38Å | 1.46Å | Aromatic |
| C2 | C11 | sing | 1.46Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.41Å | 1.45Å | Aromatic |
| C5 | CL3 | sing | 1.74Å | 1.72Å | |
| C6 | C7 | doub | 1.41Å | 1.45Å | Aromatic |
| C6 | C11 | sing | 1.41Å | 1.44Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.36Å | 1.48Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.51Å | 1.45Å | |
| C12 | C19 | sing | 1.51Å | 1.45Å | |
| C12 | O1 | sing | 1.46Å | 1.50Å | |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | BR1 | sing | 1.89Å | 1.85Å | |
| C16 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.43Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.45Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | BR2 | sing | 1.89Å | 1.86Å | |
| C22 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| C22 | O4 | sing | 1.36Å | 1.42Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 119.5° | 115.6° |
| C2 | C1 | O2 | 120.4° | 122.2° |
| C1 | C2 | C3 | 119.1° | 123.4° |
| C1 | C2 | C11 | 121.7° | 117.3° |
| O1 | C1 | O2 | 120.1° | 122.2° |
| C1 | O1 | C12 | 123.2° | 118.5° |
| C3 | C2 | C11 | 118.7° | 119.3° |
| C2 | C3 | C4 | 121.1° | 119.8° |
| C2 | C3 | H3 | 121.7° | 120.1° |
| C2 | C11 | C6 | 119.9° | 119.0° |
| C2 | C11 | C10 | 120.0° | 120.2° |
| C4 | C3 | H3 | 117.2° | 120.1° |
| C3 | C4 | C5 | 121.0° | 122.1° |
| C3 | C4 | H4 | 119.2° | 118.9° |
| C5 | C4 | H4 | 119.8° | 119.0° |
| C4 | C5 | C6 | 119.5° | 120.8° |
| C4 | C5 | CL3 | 120.1° | 119.6° |
| C6 | C5 | CL3 | 120.3° | 119.6° |
| C5 | C6 | C7 | 120.7° | 122.4° |
| C5 | C6 | C11 | 119.7° | 119.0° |
| C7 | C6 | C11 | 119.6° | 118.7° |
| C6 | C7 | C8 | 120.5° | 119.4° |
| C6 | C7 | H7 | 121.8° | 120.3° |
| C6 | C11 | C10 | 120.1° | 120.8° |
| C8 | C7 | H7 | 117.7° | 120.3° |
| C7 | C8 | C9 | 120.6° | 121.5° |
| C7 | C8 | H8 | 119.6° | 119.2° |
| C9 | C8 | H8 | 119.8° | 119.3° |
| C8 | C9 | C10 | 121.4° | 120.7° |
| C8 | C9 | H9 | 116.2° | 119.6° |
| C10 | C9 | H9 | 122.5° | 119.6° |
| C9 | C10 | C11 | 117.9° | 118.9° |
| C9 | C10 | C12 | 121.8° | 121.1° |
| C11 | C10 | C12 | 120.3° | 120.0° |
| C10 | C12 | C13 | 108.0° | 109.3° |
| C10 | C12 | C19 | 110.5° | 109.2° |
| C10 | C12 | O1 | 114.1° | 110.2° |
| C13 | C12 | C19 | 113.1° | 109.4° |
| C13 | C12 | O1 | 102.9° | 109.3° |
| C12 | C13 | C14 | 121.7° | 119.9° |
| C12 | C13 | C18 | 121.2° | 120.0° |
| C19 | C12 | O1 | 108.2° | 109.3° |
| C12 | C19 | C20 | 123.3° | 120.0° |
| C12 | C19 | C24 | 119.4° | 119.9° |
| C14 | C13 | C18 | 117.0° | 120.1° |
| C13 | C14 | C15 | 122.3° | 120.1° |
| C13 | C14 | H14 | 119.3° | 120.0° |
| C13 | C18 | C17 | 120.5° | 120.1° |
| C13 | C18 | H18 | 120.7° | 120.0° |
| C15 | C14 | H14 | 118.4° | 120.0° |
| C14 | C15 | C16 | 119.9° | 119.9° |
| C14 | C15 | BR1 | 119.5° | 120.0° |
| C16 | C15 | BR1 | 120.6° | 120.0° |
| C15 | C16 | C17 | 118.8° | 119.9° |
| C15 | C16 | O3 | 120.6° | 120.1° |
| C17 | C16 | O3 | 120.7° | 120.0° |
| C16 | C17 | C18 | 121.6° | 119.9° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C16 | O3 | HO3 | 120.5° | 106.7° |
| C18 | C17 | H17 | 118.7° | 120.1° |
| C17 | C18 | H18 | 118.7° | 119.9° |
| C20 | C19 | C24 | 117.2° | 120.1° |
| C19 | C20 | C21 | 122.0° | 120.0° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C19 | C24 | C23 | 120.6° | 120.1° |
| C19 | C24 | H24 | 120.1° | 120.0° |
| C21 | C20 | H20 | 118.2° | 120.0° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C20 | C21 | BR2 | 120.0° | 120.0° |
| C22 | C21 | BR2 | 120.6° | 120.0° |
| C21 | C22 | C23 | 118.8° | 119.9° |
| C21 | C22 | O4 | 120.8° | 120.1° |
| C23 | C22 | O4 | 120.4° | 120.0° |
| C22 | C23 | C24 | 122.0° | 120.0° |
| C22 | C23 | H23 | 119.6° | 120.1° |
| C22 | O4 | HO4 | 120.7° | 106.8° |
| C24 | C23 | H23 | 118.4° | 120.0° |
| C23 | C24 | H24 | 119.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O2 | 179.4° | 180.0° |
| C1 | C2 | C3 | C11 | 172.5° | 180.0° |
| C1 | C2 | C3 | C4 | 172.6° | 179.5° |
| C1 | C2 | C3 | H3 | 7.5° | 0.5° |
| C1 | C2 | C11 | C6 | 171.8° | 178.4° |
| C1 | C2 | C11 | C10 | 8.6° | 1.3° |
| C2 | C1 | O1 | C12 | 3.4° | 47.2° |
| O1 | C1 | C2 | C3 | 176.2° | 160.0° |
| O1 | C1 | C2 | C11 | 11.5° | 20.0° |
| C1 | O1 | C12 | C10 | 6.4° | 49.0° |
| C1 | O1 | C12 | C13 | 110.2° | 71.3° |
| C1 | O1 | C12 | C19 | 129.8° | 169.1° |
| O2 | C1 | C2 | C3 | 4.4° | 20.0° |
| O2 | C1 | C2 | C11 | 167.9° | 160.0° |
| O2 | C1 | O1 | C12 | 176.1° | 132.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.3° |
| C2 | C3 | C4 | H4 | 179.6° | 179.7° |
| C3 | C2 | C11 | C6 | 0.6° | 1.7° |
| C3 | C2 | C11 | C10 | 179.1° | 178.6° |
| C11 | C2 | C3 | C4 | 0.0° | 0.6° |
| C11 | C2 | C3 | H3 | 180.0° | 179.5° |
| C2 | C11 | C6 | C5 | 0.8° | 1.9° |
| C2 | C11 | C6 | C7 | 179.4° | 177.8° |
| C2 | C11 | C6 | C10 | 179.6° | 179.7° |
| C2 | C11 | C10 | C9 | 179.4° | 177.8° |
| C2 | C11 | C10 | C12 | 2.0° | 2.6° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | CL3 | 177.4° | 180.0° |
| H3 | C3 | C4 | C5 | 179.6° | 179.6° |
| H3 | C3 | C4 | H4 | 0.4° | 0.4° |
| C4 | C5 | C6 | CL3 | 177.3° | 179.9° |
| C4 | C5 | C6 | C7 | 179.8° | 178.7° |
| C4 | C5 | C6 | C11 | 0.4° | 1.0° |
| H4 | C4 | C5 | C6 | 179.8° | 179.9° |
| H4 | C4 | C5 | CL3 | 2.5° | 0.0° |
| C5 | C6 | C7 | C11 | 179.8° | 179.7° |
| C5 | C6 | C7 | C8 | 179.5° | 179.6° |
| C5 | C6 | C7 | H7 | 0.5° | 0.4° |
| C5 | C6 | C11 | C10 | 178.8° | 178.5° |
| CL3 | C5 | C6 | C7 | 2.9° | 1.4° |
| CL3 | C5 | C6 | C11 | 176.9° | 178.9° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.5° |
| C6 | C7 | C8 | H8 | 179.8° | 179.7° |
| C7 | C6 | C11 | C10 | 1.0° | 1.9° |
| C11 | C6 | C7 | C8 | 0.3° | 0.7° |
| C11 | C6 | C7 | H7 | 179.7° | 179.2° |
| C6 | C11 | C10 | C9 | 1.0° | 1.9° |
| C6 | C11 | C10 | C12 | 177.6° | 177.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.4° |
| C7 | C8 | C9 | H9 | 179.8° | 179.6° |
| H7 | C7 | C8 | C9 | 179.8° | 179.6° |
| H7 | C7 | C8 | H8 | 0.2° | 0.3° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.7° |
| C8 | C9 | C10 | C12 | 178.1° | 178.9° |
| H8 | C8 | C9 | C10 | 179.8° | 179.7° |
| H8 | C8 | C9 | H9 | 0.2° | 0.3° |
| C9 | C10 | C11 | C12 | 178.6° | 179.6° |
| C9 | C10 | C12 | C13 | 74.0° | 84.7° |
| C9 | C10 | C12 | C19 | 50.2° | 35.0° |
| C9 | C10 | C12 | O1 | 172.4° | 155.1° |
| H9 | C9 | C10 | C11 | 179.6° | 179.2° |
| H9 | C9 | C10 | C12 | 1.9° | 1.2° |
| C11 | C10 | C12 | C13 | 104.5° | 94.9° |
| C11 | C10 | C12 | C19 | 131.3° | 145.4° |
| C11 | C10 | C12 | O1 | 9.1° | 25.3° |
| C10 | C12 | C13 | C19 | 122.6° | 119.6° |
| C10 | C12 | C13 | O1 | 120.9° | 120.8° |
| C10 | C12 | C19 | O1 | 125.5° | 120.7° |
| C10 | C12 | C13 | C14 | 11.3° | 29.3° |
| C10 | C12 | C13 | C18 | 166.7° | 150.8° |
| C10 | C12 | C19 | C20 | 110.8° | 97.5° |
| C10 | C12 | C19 | C24 | 70.9° | 82.7° |
| C13 | C12 | C19 | O1 | 113.3° | 119.7° |
| C12 | C13 | C14 | C18 | 178.0° | 180.0° |
| C12 | C13 | C14 | C15 | 178.2° | 179.8° |
| C12 | C13 | C14 | H14 | 1.8° | 0.0° |
| C12 | C13 | C18 | C17 | 178.1° | 179.9° |
| C12 | C13 | C18 | H18 | 1.8° | 0.0° |
| C13 | C12 | C19 | C20 | 10.4° | 142.8° |
| C13 | C12 | C19 | C24 | 167.9° | 37.0° |
| C19 | C12 | C13 | C14 | 111.3° | 90.3° |
| C19 | C12 | C13 | C18 | 70.7° | 89.6° |
| C12 | C19 | C20 | C24 | 178.3° | 179.8° |
| C12 | C19 | C20 | C21 | 178.0° | 179.7° |
| C12 | C19 | C20 | H20 | 2.0° | 0.3° |
| C12 | C19 | C24 | C23 | 178.2° | 180.0° |
| C12 | C19 | C24 | H24 | 1.8° | 0.1° |
| O1 | C12 | C13 | C14 | 132.2° | 150.0° |
| O1 | C12 | C13 | C18 | 45.7° | 30.0° |
| O1 | C12 | C19 | C20 | 123.7° | 23.2° |
| O1 | C12 | C19 | C24 | 54.6° | 156.6° |
| C13 | C14 | C15 | H14 | 179.9° | 179.8° |
| C13 | C14 | C15 | C16 | 0.1° | 0.6° |
| C13 | C14 | C15 | BR1 | 179.0° | 180.0° |
| C14 | C13 | C18 | C17 | 0.0° | 0.1° |
| C14 | C13 | C18 | H18 | 179.9° | 180.0° |
| C18 | C13 | C14 | C15 | 0.1° | 0.3° |
| C18 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.1° |
| C13 | C18 | C17 | H18 | 179.9° | 179.9° |
| C13 | C18 | C17 | H17 | 179.9° | 180.0° |
| C14 | C15 | C16 | BR1 | 179.2° | 179.4° |
| C14 | C15 | C16 | C17 | 0.0° | 0.6° |
| C14 | C15 | C16 | O3 | 179.8° | 179.7° |
| H14 | C14 | C15 | C16 | 179.8° | 179.6° |
| H14 | C14 | C15 | BR1 | 1.0° | 0.2° |
| C15 | C16 | C17 | O3 | 179.7° | 179.7° |
| C15 | C16 | C17 | C18 | 0.0° | 0.3° |
| C15 | C16 | C17 | H17 | 179.9° | 179.7° |
| C15 | C16 | O3 | HO3 | 179.9° | 90.3° |
| BR1 | C15 | C16 | C17 | 179.1° | 180.0° |
| BR1 | C15 | C16 | O3 | 0.6° | 0.3° |
| C16 | C17 | C18 | H17 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C16 | O3 | HO3 | 0.3° | 90.0° |
| O3 | C16 | C17 | C18 | 179.7° | 180.0° |
| O3 | C16 | C17 | H17 | 0.3° | 0.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.4° |
| C19 | C20 | C21 | C22 | 0.2° | 0.5° |
| C19 | C20 | C21 | BR2 | 179.2° | 179.8° |
| C20 | C19 | C24 | C23 | 0.2° | 0.3° |
| C20 | C19 | C24 | H24 | 179.8° | 179.7° |
| C24 | C19 | C20 | C21 | 0.3° | 0.5° |
| C24 | C19 | C20 | H20 | 179.7° | 179.9° |
| C19 | C24 | C23 | C22 | 0.0° | 0.0° |
| C19 | C24 | C23 | H24 | 180.0° | 180.0° |
| C19 | C24 | C23 | H23 | 180.0° | 180.0° |
| C20 | C21 | C22 | BR2 | 179.4° | 179.7° |
| C20 | C21 | C22 | C23 | 0.0° | 0.3° |
| C20 | C21 | C22 | O4 | 179.5° | 179.7° |
| H20 | C20 | C21 | C22 | 179.8° | 179.9° |
| H20 | C20 | C21 | BR2 | 0.8° | 0.4° |
| C21 | C22 | C23 | O4 | 179.6° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| C21 | C22 | O4 | HO4 | 180.0° | 89.9° |
| BR2 | C21 | C22 | C23 | 179.4° | 180.0° |
| BR2 | C21 | C22 | O4 | 0.1° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C22 | O4 | HO4 | 0.4° | 90.1° |
| O4 | C22 | C23 | C24 | 179.4° | 180.0° |
| O4 | C22 | C23 | H23 | 0.6° | 0.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
