GH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.25Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| O03 | C02 | sing | 1.35Å | 1.26Å | |
| C02 | C04 | sing | 1.47Å | 1.52Å | |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C09 | doub | 1.41Å | 1.39Å | Aromatic |
| C07 | N08 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | N08 | sing | 1.32Å | 1.32Å | Aromatic |
| C09 | N10 | sing | 1.38Å | 1.45Å | |
| CL2 | C25 | sing | 1.74Å | 1.78Å | |
| N10 | C11 | sing | 1.40Å | 1.46Å | |
| C11 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | O17 | sing | 1.43Å | 1.40Å | |
| CL1 | C12 | sing | 1.74Å | 1.78Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | O17 | sing | 1.36Å | 1.40Å | |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H51 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | O03 | 120.0° | 120.0° |
| O01 | C02 | C04 | 119.5° | 120.1° |
| C06 | C05 | C04 | 118.7° | 118.4° |
| C05 | C06 | C07 | 119.2° | 119.5° |
| C06 | C05 | H05 | 120.6° | 120.8° |
| C05 | C06 | H06 | 120.4° | 120.3° |
| C05 | C04 | C02 | 119.3° | 120.6° |
| C05 | C04 | C09 | 119.4° | 118.8° |
| C04 | C05 | H05 | 120.7° | 120.8° |
| O03 | C02 | C04 | 120.5° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C02 | C04 | C09 | 121.3° | 120.6° |
| C06 | C07 | N08 | 120.3° | 121.3° |
| C07 | C06 | H06 | 120.4° | 120.3° |
| C06 | C07 | H07 | 119.9° | 119.3° |
| C04 | C09 | N08 | 119.9° | 120.3° |
| C04 | C09 | N10 | 120.4° | 119.8° |
| C07 | N08 | C09 | 122.5° | 121.8° |
| N08 | C07 | H07 | 119.8° | 119.4° |
| N08 | C09 | N10 | 119.8° | 119.9° |
| C09 | N10 | C11 | 120.8° | 120.0° |
| C09 | N10 | H10 | 119.6° | 120.0° |
| CL2 | C25 | C11 | 120.1° | 120.0° |
| CL2 | C25 | C16 | 120.1° | 120.0° |
| N10 | C11 | C25 | 121.1° | 120.1° |
| N10 | C11 | C12 | 119.1° | 120.1° |
| C11 | N10 | H10 | 119.6° | 120.0° |
| C25 | C11 | C12 | 119.8° | 119.8° |
| C11 | C25 | C16 | 119.8° | 119.9° |
| C11 | C12 | CL1 | 119.8° | 119.9° |
| C11 | C12 | C14 | 120.2° | 120.1° |
| C23 | C24 | C19 | 120.1° | 120.0° |
| C24 | C23 | C22 | 119.9° | 120.0° |
| C23 | C24 | H24 | 120.0° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C24 | C19 | C18 | 119.5° | 120.0° |
| C24 | C19 | C20 | 120.2° | 120.0° |
| C19 | C24 | H24 | 120.0° | 119.9° |
| C25 | C16 | O17 | 121.2° | 120.0° |
| C25 | C16 | C15 | 120.0° | 120.0° |
| C23 | C22 | C21 | 120.1° | 119.9° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C19 | C18 | O17 | 109.0° | 109.4° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C19 | C18 | H18 | 109.6° | 109.5° |
| C19 | C18 | H19 | 109.6° | 109.4° |
| C18 | O17 | C16 | 116.2° | 117.0° |
| O17 | C18 | H18 | 109.6° | 109.5° |
| O17 | C18 | H19 | 109.6° | 109.5° |
| CL1 | C12 | C14 | 120.0° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C12 | C14 | C15 | 120.0° | 120.1° |
| C12 | C14 | H14 | 120.0° | 119.9° |
| O17 | C16 | C15 | 118.8° | 120.0° |
| C16 | C15 | C14 | 120.1° | 120.1° |
| C16 | C15 | H51 | 119.9° | 120.0° |
| C22 | C21 | C20 | 120.1° | 120.1° |
| C22 | C21 | H21 | 120.0° | 119.9° |
| C21 | C22 | H22 | 120.0° | 120.1° |
| C14 | C15 | H51 | 120.0° | 119.9° |
| C15 | C14 | H14 | 120.0° | 119.9° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| H18 | C18 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C04 | C05 | 31.7° | 174.2° |
| O01 | C02 | O03 | C04 | 179.7° | 179.9° |
| O01 | C02 | C04 | C09 | 148.0° | 6.1° |
| O01 | C02 | O03 | H1 | 0.0° | 0.2° |
| C06 | C05 | C04 | H05 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 179.9° | 180.0° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C06 | C05 | C04 | C09 | 0.2° | 0.3° |
| C05 | C06 | C07 | N08 | 0.8° | 0.0° |
| C05 | C06 | C07 | H07 | 179.2° | 180.0° |
| C05 | C04 | C02 | O03 | 148.0° | 5.7° |
| C05 | C04 | C02 | C09 | 179.7° | 179.7° |
| C04 | C05 | C06 | C07 | 0.2° | 0.0° |
| C05 | C04 | C09 | N08 | 0.0° | 0.5° |
| C05 | C04 | C09 | N10 | 179.9° | 179.8° |
| C04 | C05 | C06 | H06 | 179.8° | 180.0° |
| O03 | C02 | C04 | C09 | 32.3° | 174.0° |
| C02 | C04 | C09 | N08 | 179.7° | 179.8° |
| C02 | C04 | C09 | N10 | 0.4° | 0.0° |
| C02 | C04 | C05 | H05 | 0.1° | 0.0° |
| C04 | C02 | O03 | H1 | 179.7° | 179.9° |
| C06 | C07 | N08 | H07 | 180.0° | 180.0° |
| C06 | C07 | N08 | C09 | 1.0° | 0.3° |
| C07 | C06 | C05 | H05 | 179.8° | 180.0° |
| C04 | C09 | N08 | C07 | 0.6° | 0.5° |
| C04 | C09 | N08 | N10 | 179.9° | 179.7° |
| C04 | C09 | N10 | C11 | 163.7° | 174.3° |
| C09 | C04 | C05 | H05 | 179.8° | 179.7° |
| C04 | C09 | N10 | H10 | 16.3° | 5.6° |
| C07 | N08 | C09 | N10 | 179.2° | 179.8° |
| N08 | C07 | C06 | H06 | 179.2° | 180.0° |
| N08 | C09 | N10 | C11 | 16.5° | 5.9° |
| C09 | N08 | C07 | H07 | 179.0° | 179.7° |
| N08 | C09 | N10 | H10 | 163.5° | 174.1° |
| C09 | N10 | C11 | H10 | 180.0° | 179.9° |
| C09 | N10 | C11 | C25 | 61.7° | 121.7° |
| C09 | N10 | C11 | C12 | 118.4° | 58.6° |
| CL2 | C25 | C11 | N10 | 0.0° | 0.2° |
| CL2 | C25 | C11 | C16 | 179.9° | 179.8° |
| CL2 | C25 | C11 | C12 | 179.9° | 180.0° |
| CL2 | C25 | C16 | O17 | 0.2° | 0.3° |
| CL2 | C25 | C16 | C15 | 179.8° | 179.7° |
| N10 | C11 | C25 | C12 | 179.9° | 179.8° |
| N10 | C11 | C25 | C16 | 179.9° | 180.0° |
| N10 | C11 | C12 | CL1 | 0.1° | 0.3° |
| N10 | C11 | C12 | C14 | 179.9° | 180.0° |
| C25 | C11 | C12 | CL1 | 179.8° | 179.9° |
| C25 | C11 | C12 | C14 | 0.2° | 0.2° |
| C11 | C25 | C16 | O17 | 179.6° | 179.9° |
| C11 | C25 | C16 | C15 | 0.0° | 0.0° |
| C25 | C11 | N10 | H10 | 118.3° | 58.3° |
| C12 | C11 | C25 | C16 | 0.2° | 0.2° |
| C11 | C12 | CL1 | C14 | 180.0° | 179.7° |
| C11 | C12 | C14 | C15 | 0.0° | 0.0° |
| C11 | C12 | C14 | H14 | 180.0° | 180.0° |
| C12 | C11 | N10 | H10 | 61.6° | 121.5° |
| C23 | C24 | C19 | H24 | 180.0° | 179.1° |
| C24 | C23 | C22 | H23 | 180.0° | 179.1° |
| C23 | C24 | C19 | C18 | 179.9° | 180.0° |
| C23 | C24 | C19 | C20 | 0.1° | 0.6° |
| C24 | C23 | C22 | C21 | 0.1° | 0.6° |
| C24 | C23 | C22 | H22 | 180.0° | 179.4° |
| C19 | C24 | C23 | C22 | 0.0° | 0.9° |
| C24 | C19 | C18 | C20 | 179.9° | 179.4° |
| C24 | C19 | C18 | O17 | 143.1° | 90.0° |
| C24 | C19 | C20 | C21 | 0.2° | 0.0° |
| C24 | C19 | C20 | H20 | 179.8° | 179.7° |
| C24 | C19 | C18 | H18 | 23.1° | 150.0° |
| C24 | C19 | C18 | H19 | 97.0° | 30.0° |
| C19 | C24 | C23 | H23 | 180.0° | 180.0° |
| C25 | C16 | O17 | C18 | 51.3° | 180.0° |
| C25 | C16 | O17 | C15 | 179.6° | 180.0° |
| C25 | C16 | C15 | C14 | 0.3° | 0.3° |
| C25 | C16 | C15 | H51 | 179.7° | 180.0° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | H21 | 180.0° | 180.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C19 | C18 | O17 | H18 | 119.9° | 120.0° |
| C19 | C18 | O17 | H19 | 119.9° | 119.9° |
| C19 | C18 | O17 | C16 | 85.2° | 180.0° |
| C18 | C19 | C20 | C21 | 179.9° | 179.5° |
| C18 | C19 | C20 | H20 | 0.1° | 0.3° |
| C18 | C19 | C24 | H24 | 0.0° | 0.8° |
| C19 | C18 | H18 | H19 | 120.2° | 120.0° |
| O17 | C18 | C19 | C20 | 37.0° | 89.5° |
| C18 | O17 | C16 | C15 | 129.1° | 0.0° |
| O17 | C18 | H18 | H19 | 120.2° | 120.0° |
| CL1 | C12 | C14 | C15 | 180.0° | 179.7° |
| CL1 | C12 | C14 | H14 | 0.0° | 0.3° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C19 | C20 | C21 | H21 | 179.9° | 179.7° |
| C20 | C19 | C24 | H24 | 179.9° | 179.7° |
| C20 | C19 | C18 | H18 | 157.0° | 30.6° |
| C20 | C19 | C18 | H19 | 82.9° | 150.6° |
| C12 | C14 | C15 | C16 | 0.3° | 0.2° |
| C12 | C14 | C15 | H14 | 180.0° | 180.0° |
| C12 | C14 | C15 | H51 | 179.7° | 180.0° |
| O17 | C16 | C15 | C14 | 179.9° | 179.7° |
| O17 | C16 | C15 | H51 | 0.1° | 0.0° |
| C16 | O17 | C18 | H18 | 34.7° | 60.0° |
| C16 | O17 | C18 | H19 | 154.8° | 60.1° |
| C16 | C15 | C14 | H51 | 180.0° | 179.8° |
| C16 | C15 | C14 | H14 | 179.7° | 179.7° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | H20 | 179.9° | 180.0° |
| C21 | C22 | C23 | H23 | 180.0° | 179.7° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H51 | C15 | C14 | H14 | 0.3° | 0.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.0° |
| H22 | C22 | C23 | H23 | 0.0° | 0.3° |
| H24 | C24 | C23 | H23 | 0.0° | 0.9° |
| H05 | C05 | C06 | H06 | 0.2° | 0.0° |
| H06 | C06 | C07 | H07 | 0.8° | 0.0° |
