QO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | O13 | doub | 1.21Å | 1.18Å | |
| C11 | N10 | sing | 1.35Å | 1.45Å | |
| N10 | C7 | sing | 1.40Å | 1.45Å | |
| C7 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.51Å | 1.54Å | |
| C2 | C6 | sing | 1.51Å | 1.55Å | |
| C4 | C8 | sing | 1.54Å | 1.52Å | |
| C6 | C8 | sing | 1.54Å | 1.52Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| N10 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H102 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H092 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | O13 | 119.5° | 120.0° |
| C12 | C11 | N10 | 120.1° | 120.0° |
| C11 | C12 | H2 | 109.5° | 109.4° |
| C11 | C12 | H3 | 109.5° | 109.5° |
| C11 | C12 | H1 | 109.5° | 109.5° |
| O13 | C11 | N10 | 120.4° | 120.0° |
| C11 | N10 | C7 | 121.6° | 120.0° |
| C11 | N10 | H4 | 119.2° | 120.0° |
| N10 | C7 | C9 | 118.5° | 120.1° |
| N10 | C7 | C3 | 121.4° | 120.1° |
| C7 | N10 | H4 | 119.2° | 120.0° |
| C9 | C7 | C3 | 120.1° | 119.7° |
| C7 | C9 | C5 | 120.6° | 119.9° |
| C7 | C9 | H7 | 119.7° | 120.0° |
| C7 | C3 | C1 | 119.3° | 120.2° |
| C7 | C3 | H5 | 120.4° | 119.9° |
| C9 | C5 | C2 | 119.6° | 120.3° |
| C5 | C9 | H7 | 119.7° | 120.1° |
| C9 | C5 | H8 | 120.2° | 119.8° |
| C3 | C1 | C2 | 120.5° | 120.0° |
| C3 | C1 | C4 | 130.5° | 130.3° |
| C1 | C3 | H5 | 120.3° | 119.9° |
| C5 | C2 | C1 | 119.9° | 119.9° |
| C5 | C2 | C6 | 130.2° | 130.3° |
| C2 | C5 | H8 | 120.2° | 119.9° |
| C2 | C1 | C4 | 109.0° | 109.7° |
| C1 | C2 | C6 | 109.9° | 109.7° |
| C1 | C4 | C8 | 105.7° | 105.1° |
| C1 | C4 | H12 | 110.4° | 110.2° |
| C1 | C4 | H13 | 110.4° | 110.6° |
| C2 | C6 | C8 | 104.9° | 105.2° |
| C2 | C6 | H10 | 110.6° | 110.3° |
| C2 | C6 | H102 | 110.6° | 110.2° |
| C4 | C8 | C6 | 105.5° | 102.4° |
| C4 | C8 | H11 | 110.5° | 110.8° |
| C4 | C8 | H092 | 110.4° | 110.9° |
| C8 | C4 | H12 | 110.4° | 110.3° |
| C8 | C4 | H13 | 110.4° | 110.3° |
| C8 | C6 | H10 | 110.6° | 110.3° |
| C8 | C6 | H102 | 110.6° | 110.3° |
| C6 | C8 | H11 | 110.4° | 110.8° |
| C6 | C8 | H092 | 110.4° | 110.8° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H1 | 109.5° | 109.5° |
| H3 | C12 | H1 | 109.4° | 109.5° |
| H10 | C6 | H102 | 109.5° | 110.3° |
| H11 | C8 | H092 | 109.5° | 110.7° |
| H12 | C4 | H13 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | O13 | N10 | 179.7° | 179.7° |
| C12 | C11 | N10 | C7 | 179.3° | 175.1° |
| C11 | C12 | H2 | H3 | 120.0° | 120.0° |
| C11 | C12 | H2 | H1 | 120.0° | 120.0° |
| C11 | C12 | H3 | H1 | 120.0° | 120.0° |
| C12 | C11 | N10 | H4 | 0.7° | 4.9° |
| O13 | C11 | N10 | C7 | 0.4° | 4.6° |
| O13 | C11 | C12 | H2 | 0.0° | 0.0° |
| O13 | C11 | C12 | H3 | 120.0° | 120.0° |
| O13 | C11 | C12 | H1 | 120.0° | 120.0° |
| O13 | C11 | N10 | H4 | 179.6° | 175.3° |
| C11 | N10 | C7 | H4 | 180.0° | 180.0° |
| C11 | N10 | C7 | C9 | 100.8° | 35.1° |
| C11 | N10 | C7 | C3 | 80.3° | 144.6° |
| N10 | C11 | C12 | H2 | 179.8° | 179.7° |
| N10 | C11 | C12 | H3 | 60.2° | 59.7° |
| N10 | C11 | C12 | H1 | 59.7° | 60.3° |
| N10 | C7 | C9 | C3 | 178.9° | 179.7° |
| N10 | C7 | C9 | C5 | 179.7° | 180.0° |
| N10 | C7 | C3 | C1 | 179.4° | 180.0° |
| N10 | C7 | C3 | H5 | 0.6° | 0.1° |
| N10 | C7 | C9 | H7 | 0.3° | 0.0° |
| C7 | C9 | C5 | H7 | 180.0° | 180.0° |
| C9 | C7 | C3 | C1 | 0.5° | 0.3° |
| C7 | C9 | C5 | C2 | 0.6° | 0.1° |
| C9 | C7 | N10 | H4 | 79.2° | 144.9° |
| C9 | C7 | C3 | H5 | 179.6° | 179.8° |
| C7 | C9 | C5 | H8 | 179.4° | 180.0° |
| C3 | C7 | C9 | C5 | 0.7° | 0.3° |
| C7 | C3 | C1 | H5 | 180.0° | 179.9° |
| C7 | C3 | C1 | C2 | 0.0° | 0.0° |
| C7 | C3 | C1 | C4 | 179.9° | 179.5° |
| C3 | C7 | N10 | H4 | 99.7° | 35.4° |
| C3 | C7 | C9 | H7 | 179.3° | 179.7° |
| C9 | C5 | C2 | H8 | 180.0° | 179.9° |
| C9 | C5 | C2 | C1 | 0.2° | 0.2° |
| C9 | C5 | C2 | C6 | 179.6° | 179.9° |
| C3 | C1 | C2 | C5 | 0.1° | 0.2° |
| C3 | C1 | C2 | C4 | 179.9° | 179.6° |
| C3 | C1 | C2 | C6 | 179.9° | 180.0° |
| C3 | C1 | C4 | C8 | 166.4° | 162.8° |
| C3 | C1 | C4 | H12 | 74.1° | 44.1° |
| C3 | C1 | C4 | H13 | 47.1° | 78.1° |
| C5 | C2 | C1 | C6 | 179.8° | 179.8° |
| C5 | C2 | C1 | C4 | 179.8° | 179.8° |
| C5 | C2 | C6 | C8 | 166.6° | 162.8° |
| C2 | C5 | C9 | H7 | 179.4° | 180.0° |
| C5 | C2 | C6 | H10 | 47.4° | 43.8° |
| C5 | C2 | C6 | H102 | 74.1° | 78.3° |
| C2 | C1 | C4 | C8 | 13.6° | 17.6° |
| C1 | C2 | C6 | C8 | 13.6° | 17.0° |
| C2 | C1 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C5 | H8 | 179.8° | 179.7° |
| C1 | C2 | C6 | H10 | 132.9° | 135.9° |
| C1 | C2 | C6 | H102 | 105.7° | 102.0° |
| C2 | C1 | C4 | H12 | 105.8° | 136.4° |
| C2 | C1 | C4 | H13 | 133.0° | 101.4° |
| C4 | C1 | C2 | C6 | 0.0° | 0.4° |
| C1 | C4 | C8 | H12 | 119.4° | 118.7° |
| C1 | C4 | C8 | H13 | 119.4° | 119.2° |
| C1 | C4 | C8 | C6 | 21.6° | 26.6° |
| C4 | C1 | C3 | H5 | 0.1° | 0.4° |
| C1 | C4 | C8 | H11 | 141.0° | 91.7° |
| C1 | C4 | C8 | H092 | 97.7° | 144.9° |
| C1 | C4 | H12 | H13 | 121.8° | 122.4° |
| C2 | C6 | C8 | C4 | 21.5° | 26.4° |
| C2 | C6 | C8 | H10 | 119.3° | 118.9° |
| C2 | C6 | C8 | H102 | 119.3° | 118.9° |
| C6 | C2 | C5 | H8 | 0.4° | 0.0° |
| C2 | C6 | H10 | H102 | 122.1° | 122.0° |
| C2 | C6 | C8 | H11 | 140.8° | 91.9° |
| C2 | C6 | C8 | H092 | 97.9° | 144.8° |
| C4 | C8 | C6 | H11 | 119.4° | 118.3° |
| C4 | C8 | C6 | H092 | 119.4° | 118.4° |
| C4 | C8 | C6 | H10 | 140.8° | 145.3° |
| C4 | C8 | C6 | H102 | 97.8° | 92.5° |
| C4 | C8 | H11 | H092 | 121.8° | 123.6° |
| C8 | C4 | H12 | H13 | 121.8° | 122.0° |
| C8 | C6 | H10 | H102 | 122.1° | 122.2° |
| C6 | C8 | H11 | H092 | 121.8° | 123.4° |
| C6 | C8 | C4 | H12 | 97.8° | 145.3° |
| C6 | C8 | C4 | H13 | 141.0° | 92.6° |
| H2 | C12 | H3 | H1 | 120.0° | 120.0° |
| H7 | C9 | C5 | H8 | 0.6° | 0.0° |
| H10 | C6 | C8 | H11 | 99.9° | 27.1° |
| H10 | C6 | C8 | H092 | 21.4° | 96.3° |
| H102 | C6 | C8 | H11 | 21.6° | 149.3° |
| H102 | C6 | C8 | H092 | 142.8° | 25.9° |
| H11 | C8 | C4 | H12 | 21.6° | 27.1° |
| H11 | C8 | C4 | H13 | 99.6° | 149.1° |
| H092 | C8 | C4 | H12 | 142.8° | 96.4° |
| H092 | C8 | C4 | H13 | 21.6° | 25.6° |
