50Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | CL5 | sing | 1.74Å | 1.79Å | |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.37Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | O05 | sing | 1.36Å | 1.34Å | |
| C04 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | CL6 | sing | 1.74Å | 1.79Å | |
| C16 | O17 | sing | 1.36Å | 1.37Å | |
| O17 | C18 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| O01 | H01 | sing | 0.97Å | 0.95Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| O05 | H05 | sing | 0.97Å | 0.95Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 116.3° | 120.1° |
| C10 | C09 | C16 | 121.9° | 120.0° |
| C09 | C10 | H10 | 121.9° | 120.0° |
| C10 | C09 | H09 | 119.1° | 120.0° |
| C10 | C11 | C13 | 122.4° | 120.1° |
| C10 | C11 | CL6 | 120.8° | 120.0° |
| C11 | C10 | H10 | 121.9° | 119.9° |
| C15 | C13 | C11 | 121.8° | 120.0° |
| C15 | C13 | CL5 | 123.0° | 120.0° |
| C13 | C15 | C16 | 116.2° | 119.9° |
| C13 | C15 | H15 | 121.9° | 120.1° |
| C11 | C13 | CL5 | 115.3° | 120.0° |
| C13 | C11 | CL6 | 116.8° | 120.0° |
| C15 | C16 | C09 | 121.5° | 120.0° |
| C15 | C16 | O17 | 121.0° | 120.0° |
| C16 | C15 | H15 | 121.9° | 120.0° |
| O01 | C02 | C03 | 121.8° | 120.0° |
| O01 | C02 | C19 | 119.1° | 120.0° |
| C02 | O01 | H01 | 109.5° | 114.0° |
| C03 | C02 | C19 | 119.1° | 120.0° |
| C02 | C03 | C04 | 119.7° | 120.0° |
| C02 | C03 | H03 | 120.1° | 120.0° |
| C02 | C19 | C18 | 120.3° | 120.0° |
| C02 | C19 | H19 | 119.8° | 120.0° |
| C03 | C04 | O05 | 120.7° | 120.0° |
| C03 | C04 | C06 | 121.1° | 120.0° |
| C04 | C03 | H03 | 120.2° | 120.0° |
| O05 | C04 | C06 | 118.1° | 120.0° |
| C04 | O05 | H05 | 109.5° | 114.0° |
| C04 | C06 | C18 | 118.5° | 120.0° |
| C04 | C06 | H06 | 120.7° | 120.0° |
| C06 | C18 | O17 | 120.6° | 120.0° |
| C06 | C18 | C19 | 121.2° | 120.0° |
| C18 | C06 | H06 | 120.7° | 120.0° |
| C09 | C16 | O17 | 117.5° | 120.0° |
| C16 | C09 | H09 | 119.1° | 120.1° |
| C16 | O17 | C18 | 126.6° | 118.0° |
| O17 | C18 | C19 | 118.2° | 119.9° |
| C18 | C19 | H19 | 119.8° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H10 | 180.0° | 179.7° |
| C09 | C10 | C11 | C13 | 0.3° | 0.0° |
| C10 | C09 | C16 | C15 | 0.1° | 0.0° |
| C10 | C09 | C16 | H09 | 180.0° | 180.0° |
| C09 | C10 | C11 | CL6 | 178.5° | 180.0° |
| C10 | C09 | C16 | O17 | 179.2° | 179.9° |
| C10 | C11 | C13 | C15 | 0.4° | 0.0° |
| C10 | C11 | C13 | CL6 | 178.2° | 180.0° |
| C10 | C11 | C13 | CL5 | 178.9° | 180.0° |
| C11 | C10 | C09 | C16 | 0.1° | 0.0° |
| C11 | C10 | C09 | H09 | 180.0° | 180.0° |
| C15 | C13 | C11 | CL5 | 179.3° | 180.0° |
| C13 | C15 | C16 | H15 | 180.0° | 180.0° |
| C13 | C15 | C16 | C09 | 0.0° | 0.0° |
| C15 | C13 | C11 | CL6 | 178.6° | 180.0° |
| C13 | C15 | C16 | O17 | 179.1° | 179.9° |
| C11 | C13 | C15 | C16 | 0.2° | 0.0° |
| C13 | C11 | C10 | H10 | 179.7° | 179.7° |
| C11 | C13 | C15 | H15 | 179.8° | 180.0° |
| CL5 | C13 | C15 | C16 | 179.0° | 180.0° |
| CL5 | C13 | C11 | CL6 | 0.7° | 0.0° |
| CL5 | C13 | C15 | H15 | 1.0° | 0.0° |
| C15 | C16 | C09 | O17 | 179.1° | 180.0° |
| C15 | C16 | O17 | C18 | 59.2° | 0.4° |
| C15 | C16 | C09 | H09 | 179.9° | 180.0° |
| O01 | C02 | C03 | C19 | 177.3° | 180.0° |
| O01 | C02 | C03 | C04 | 179.0° | 180.0° |
| O01 | C02 | C19 | C18 | 177.7° | 180.0° |
| O01 | C02 | C03 | H03 | 1.0° | 0.0° |
| O01 | C02 | C19 | H19 | 2.3° | 0.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | O05 | 179.6° | 179.9° |
| C02 | C03 | C04 | C06 | 1.8° | 0.3° |
| C03 | C02 | C19 | C18 | 0.3° | 0.0° |
| C03 | C02 | O01 | H01 | 180.0° | 90.0° |
| C03 | C02 | C19 | H19 | 179.7° | 180.0° |
| C19 | C02 | C03 | C04 | 1.7° | 0.0° |
| C02 | C19 | C18 | C06 | 1.1° | 0.2° |
| C02 | C19 | C18 | O17 | 177.7° | 180.0° |
| C02 | C19 | C18 | H19 | 180.0° | 180.0° |
| C19 | C02 | O01 | H01 | 2.7° | 90.0° |
| C19 | C02 | C03 | H03 | 178.3° | 180.0° |
| C03 | C04 | O05 | C06 | 178.6° | 179.6° |
| C03 | C04 | C06 | C18 | 0.5° | 0.5° |
| C03 | C04 | O05 | H05 | 180.0° | 89.7° |
| C03 | C04 | C06 | H06 | 179.5° | 179.7° |
| O05 | C04 | C06 | C18 | 179.1° | 179.8° |
| O05 | C04 | C03 | H03 | 0.4° | 0.1° |
| O05 | C04 | C06 | H06 | 0.9° | 0.1° |
| C04 | C06 | C18 | H06 | 180.0° | 179.7° |
| C04 | C06 | C18 | O17 | 177.8° | 179.7° |
| C04 | C06 | C18 | C19 | 1.0° | 0.5° |
| C06 | C04 | C03 | H03 | 178.2° | 179.7° |
| C06 | C04 | O05 | H05 | 1.4° | 89.9° |
| C06 | C18 | O17 | C16 | 35.6° | 90.0° |
| C06 | C18 | O17 | C19 | 178.8° | 179.8° |
| C06 | C18 | C19 | H19 | 178.9° | 179.8° |
| C09 | C16 | O17 | C18 | 121.7° | 179.6° |
| C16 | C09 | C10 | H10 | 179.9° | 179.7° |
| C09 | C16 | C15 | H15 | 180.0° | 180.0° |
| CL6 | C11 | C10 | H10 | 1.6° | 0.3° |
| C16 | O17 | C18 | C19 | 145.6° | 90.3° |
| O17 | C16 | C09 | H09 | 0.8° | 0.0° |
| O17 | C16 | C15 | H15 | 0.9° | 0.0° |
| O17 | C18 | C19 | H19 | 2.3° | 0.0° |
| O17 | C18 | C06 | H06 | 2.2° | 0.0° |
| C19 | C18 | C06 | H06 | 179.0° | 179.8° |
| H10 | C10 | C09 | H09 | 0.0° | 0.3° |
