8QM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.22Å | 1.27Å | |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.35Å | 1.27Å | |
| C02 | C04 | sing | 1.48Å | 1.50Å | |
| C06 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C07 | C10 | sing | 1.51Å | 1.51Å | |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | O01 | 121.6° | 120.0° |
| O03 | C02 | C04 | 120.5° | 120.0° |
| C06 | C05 | C04 | 119.9° | 119.9° |
| C05 | C06 | C07 | 119.2° | 120.1° |
| C06 | C05 | H3 | 120.1° | 120.1° |
| C05 | C06 | H4 | 120.4° | 119.9° |
| C05 | C04 | C02 | 119.0° | 120.2° |
| C05 | C04 | C09 | 120.8° | 119.7° |
| C04 | C05 | H3 | 120.0° | 120.0° |
| O01 | C02 | C04 | 117.9° | 120.0° |
| C02 | O01 | H2 | 109.5° | 117.0° |
| C02 | C04 | C09 | 120.1° | 120.1° |
| C06 | C07 | C10 | 118.3° | 119.8° |
| C06 | C07 | C08 | 120.6° | 120.3° |
| C07 | C06 | H4 | 120.4° | 119.9° |
| C04 | C09 | C08 | 120.0° | 119.8° |
| C04 | C09 | H6 | 120.0° | 120.1° |
| C11 | C12 | C10 | 59.4° | 60.0° |
| C12 | C11 | C10 | 60.0° | 60.0° |
| C12 | C11 | H7 | 120.0° | 117.6° |
| C12 | C11 | H8 | 120.0° | 117.5° |
| C11 | C12 | H9 | 120.1° | 117.5° |
| C11 | C12 | H10 | 120.1° | 117.5° |
| C12 | C10 | C07 | 126.4° | 117.5° |
| C12 | C10 | C11 | 60.5° | 60.0° |
| C12 | C10 | H1 | 111.4° | 117.5° |
| C10 | C12 | H9 | 120.1° | 117.5° |
| C10 | C12 | H10 | 120.1° | 117.5° |
| C10 | C07 | C08 | 121.1° | 119.9° |
| C07 | C10 | C11 | 126.5° | 117.5° |
| C07 | C10 | H1 | 111.4° | 115.6° |
| C07 | C08 | C09 | 119.6° | 120.1° |
| C07 | C08 | H5 | 120.2° | 119.9° |
| C09 | C08 | H5 | 120.2° | 119.9° |
| C08 | C09 | H6 | 120.0° | 120.1° |
| C11 | C10 | H1 | 111.5° | 117.5° |
| C10 | C11 | H7 | 120.0° | 117.5° |
| C10 | C11 | H8 | 120.0° | 117.5° |
| H7 | C11 | H8 | 109.5° | 115.5° |
| H9 | C12 | H10 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C04 | C05 | 12.5° | 179.7° |
| O03 | C02 | O01 | C04 | 179.9° | 180.0° |
| O03 | C02 | C04 | C09 | 169.7° | 0.0° |
| O03 | C02 | O01 | H2 | 0.0° | 0.0° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 179.7° | 180.0° |
| C05 | C06 | C07 | H4 | 180.0° | 179.9° |
| C06 | C05 | C04 | C09 | 2.5° | 0.3° |
| C05 | C06 | C07 | C10 | 178.2° | 180.0° |
| C05 | C06 | C07 | C08 | 0.4° | 0.1° |
| C05 | C04 | C02 | O01 | 167.3° | 0.3° |
| C05 | C04 | C02 | C09 | 177.8° | 179.7° |
| C04 | C05 | C06 | C07 | 1.1° | 0.0° |
| C05 | C04 | C09 | C08 | 2.4° | 0.6° |
| C04 | C05 | C06 | H4 | 178.9° | 179.9° |
| C05 | C04 | C09 | H6 | 177.6° | 179.7° |
| O01 | C02 | C04 | C09 | 10.5° | 180.0° |
| C02 | C04 | C09 | C08 | 179.8° | 179.7° |
| C04 | C02 | O01 | H2 | 179.8° | 180.0° |
| C02 | C04 | C05 | H3 | 0.3° | 0.0° |
| C02 | C04 | C09 | H6 | 0.1° | 0.0° |
| C06 | C07 | C10 | C12 | 54.8° | 171.3° |
| C06 | C07 | C10 | C08 | 177.8° | 179.9° |
| C06 | C07 | C08 | C09 | 0.5° | 0.2° |
| C06 | C07 | C10 | C11 | 22.9° | 120.1° |
| C06 | C07 | C10 | H1 | 164.2° | 25.6° |
| C07 | C06 | C05 | H3 | 178.9° | 180.0° |
| C06 | C07 | C08 | H5 | 179.5° | 180.0° |
| C04 | C09 | C08 | C07 | 0.9° | 0.5° |
| C04 | C09 | C08 | H6 | 180.0° | 179.7° |
| C09 | C04 | C05 | H3 | 177.4° | 179.7° |
| C04 | C09 | C08 | H5 | 179.1° | 179.7° |
| C11 | C12 | C10 | H9 | 109.3° | 107.5° |
| C11 | C12 | C10 | H10 | 109.3° | 107.5° |
| C12 | C11 | C10 | C07 | 115.5° | 107.5° |
| C12 | C11 | C10 | H7 | 109.5° | 107.6° |
| C12 | C11 | C10 | H8 | 109.5° | 107.5° |
| C11 | C12 | C10 | H1 | 103.3° | 107.5° |
| C12 | C11 | H7 | H8 | 144.7° | 145.8° |
| C11 | C12 | H9 | H10 | 145.1° | 145.7° |
| C12 | C10 | C07 | H1 | 141.0° | 145.7° |
| C12 | C10 | C07 | C08 | 123.0° | 8.7° |
| C10 | C12 | H9 | H10 | 145.0° | 145.7° |
| C10 | C07 | C08 | C09 | 178.3° | 179.7° |
| C07 | C10 | C11 | H1 | 141.3° | 145.1° |
| C10 | C07 | C06 | H4 | 1.7° | 0.1° |
| C10 | C07 | C08 | H5 | 1.7° | 0.1° |
| C07 | C10 | C11 | H7 | 6.0° | 145.0° |
| C07 | C10 | C11 | H8 | 135.0° | 0.1° |
| C07 | C10 | C12 | H9 | 135.0° | 0.0° |
| C07 | C10 | C12 | H10 | 6.3° | 145.0° |
| C07 | C08 | C09 | H5 | 180.0° | 179.8° |
| C08 | C07 | C10 | C11 | 159.3° | 59.9° |
| C08 | C07 | C10 | H1 | 18.0° | 154.4° |
| C08 | C07 | C06 | H4 | 179.6° | 180.0° |
| C07 | C08 | C09 | H6 | 179.1° | 179.7° |
| C10 | C11 | H7 | H8 | 144.8° | 145.6° |
| H1 | C10 | C11 | H7 | 147.4° | 0.1° |
| H1 | C10 | C11 | H8 | 6.3° | 145.0° |
| H1 | C10 | C12 | H9 | 6.0° | 145.0° |
| H1 | C10 | C12 | H10 | 147.3° | 0.0° |
| H3 | C05 | C06 | H4 | 1.1° | 0.1° |
| H5 | C08 | C09 | H6 | 0.9° | 0.0° |
| H7 | C11 | C12 | H9 | 141.2° | 145.1° |
| H7 | C11 | C12 | H10 | 0.1° | 0.0° |
| H8 | C11 | C12 | H9 | 0.2° | 0.0° |
| H8 | C11 | C12 | H10 | 141.2° | 145.0° |
