RQG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C07 | sing | 1.34Å | 1.31Å | Aromatic |
| O06 | C05 | sing | 1.35Å | 1.34Å | Aromatic |
| C07 | C08 | doub | 1.34Å | 1.41Å | Aromatic |
| O12 | C10 | doub | 1.21Å | 1.26Å | |
| C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C08 | C13 | sing | 1.47Å | 1.44Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.51Å | |
| C10 | O11 | sing | 1.34Å | 1.26Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| O11 | H9 | sing | 0.97Å | 0.95Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | O06 | C05 | 111.6° | 110.9° |
| O06 | C07 | C08 | 108.4° | 110.2° |
| O06 | C07 | H6 | 125.8° | 124.9° |
| O06 | C05 | C04 | 131.5° | 133.4° |
| O06 | C05 | C13 | 108.7° | 107.2° |
| C07 | C08 | C09 | 127.4° | 126.9° |
| C07 | C08 | C13 | 105.6° | 106.2° |
| C08 | C07 | H6 | 125.8° | 124.9° |
| O12 | C10 | C09 | 119.6° | 120.1° |
| O12 | C10 | O11 | 120.6° | 120.0° |
| C04 | C05 | C13 | 119.8° | 119.4° |
| C05 | C04 | C03 | 119.9° | 119.9° |
| C05 | C04 | H5 | 120.0° | 120.0° |
| C05 | C13 | C08 | 105.6° | 105.5° |
| C05 | C13 | C14 | 120.1° | 120.2° |
| C09 | C08 | C13 | 127.0° | 126.9° |
| C08 | C09 | C10 | 111.2° | 109.4° |
| C08 | C09 | H7 | 109.1° | 109.4° |
| C08 | C09 | H8 | 109.0° | 109.5° |
| C08 | C13 | C14 | 134.3° | 134.3° |
| C04 | C03 | C02 | 119.9° | 120.7° |
| C04 | C03 | H4 | 120.1° | 119.6° |
| C03 | C04 | H5 | 120.1° | 120.0° |
| C09 | C10 | O11 | 119.8° | 120.0° |
| C10 | C09 | H7 | 109.0° | 109.5° |
| C10 | C09 | H8 | 109.0° | 109.5° |
| C10 | O11 | H9 | 109.5° | 117.0° |
| C13 | C14 | C02 | 120.0° | 119.6° |
| C13 | C14 | H10 | 120.0° | 120.2° |
| C03 | C02 | C14 | 120.4° | 120.3° |
| C03 | C02 | C01 | 119.7° | 119.8° |
| C02 | C03 | H4 | 120.0° | 119.7° |
| C14 | C02 | C01 | 120.0° | 119.9° |
| C02 | C14 | H10 | 120.0° | 120.1° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C07 | C08 | H6 | 180.0° | 179.7° |
| C07 | O06 | C05 | C04 | 178.9° | 180.0° |
| C07 | O06 | C05 | C13 | 0.3° | 0.0° |
| O06 | C07 | C08 | C09 | 180.0° | 180.0° |
| O06 | C07 | C08 | C13 | 0.1° | 0.4° |
| C05 | O06 | C07 | C08 | 0.3° | 0.3° |
| O06 | C05 | C04 | C13 | 179.1° | 179.9° |
| O06 | C05 | C13 | C08 | 0.2° | 0.3° |
| O06 | C05 | C04 | C03 | 179.0° | 179.9° |
| O06 | C05 | C13 | C14 | 179.1° | 180.0° |
| O06 | C05 | C04 | H5 | 1.0° | 0.0° |
| C05 | O06 | C07 | H6 | 179.7° | 180.0° |
| C07 | C08 | C13 | C05 | 0.0° | 0.4° |
| C07 | C08 | C09 | C13 | 179.9° | 179.5° |
| C07 | C08 | C09 | C10 | 114.4° | 95.0° |
| C07 | C08 | C13 | C14 | 178.8° | 179.9° |
| C07 | C08 | C09 | H7 | 125.3° | 145.0° |
| C07 | C08 | C09 | H8 | 5.8° | 25.0° |
| O12 | C10 | C09 | C08 | 82.2° | 0.3° |
| O12 | C10 | C09 | O11 | 179.7° | 179.7° |
| O12 | C10 | C09 | H7 | 157.5° | 119.7° |
| O12 | C10 | C09 | H8 | 38.0° | 120.3° |
| O12 | C10 | O11 | H9 | 0.0° | 0.2° |
| C04 | C05 | C13 | C08 | 179.1° | 179.8° |
| C05 | C04 | C03 | H5 | 180.0° | 180.0° |
| C04 | C05 | C13 | C14 | 0.2° | 0.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H4 | 179.9° | 180.0° |
| C05 | C13 | C08 | C09 | 179.9° | 180.0° |
| C05 | C13 | C08 | C14 | 178.7° | 179.7° |
| C13 | C05 | C04 | C03 | 0.1° | 0.0° |
| C05 | C13 | C14 | C02 | 0.2° | 0.0° |
| C13 | C05 | C04 | H5 | 179.9° | 180.0° |
| C05 | C13 | C14 | H10 | 179.8° | 180.0° |
| C08 | C09 | C10 | H7 | 120.3° | 120.0° |
| C08 | C09 | C10 | H8 | 120.2° | 120.0° |
| C08 | C09 | C10 | O11 | 97.5° | 180.0° |
| C09 | C08 | C13 | C14 | 1.1° | 0.3° |
| C09 | C08 | C07 | H6 | 0.0° | 0.3° |
| C08 | C09 | H7 | H8 | 119.2° | 120.0° |
| C13 | C08 | C09 | C10 | 65.7° | 84.5° |
| C08 | C13 | C14 | C02 | 178.8° | 179.7° |
| C13 | C08 | C07 | H6 | 179.9° | 179.9° |
| C13 | C08 | C09 | H7 | 54.5° | 35.5° |
| C13 | C08 | C09 | H8 | 174.1° | 155.5° |
| C08 | C13 | C14 | H10 | 1.2° | 0.4° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | C14 | 0.1° | 0.0° |
| C04 | C03 | C02 | C01 | 179.4° | 180.0° |
| C10 | C09 | H7 | H8 | 119.2° | 120.1° |
| C09 | C10 | O11 | H9 | 179.7° | 180.0° |
| O11 | C10 | C09 | H7 | 22.8° | 60.0° |
| O11 | C10 | C09 | H8 | 142.3° | 60.0° |
| C13 | C14 | C02 | C03 | 0.2° | 0.0° |
| C13 | C14 | C02 | H10 | 180.0° | 180.0° |
| C13 | C14 | C02 | C01 | 179.3° | 180.0° |
| C03 | C02 | C14 | C01 | 179.5° | 180.0° |
| C03 | C02 | C01 | H1 | 90.3° | 90.0° |
| C03 | C02 | C01 | H2 | 149.8° | 150.0° |
| C03 | C02 | C01 | H3 | 29.7° | 30.0° |
| C02 | C03 | C04 | H5 | 179.9° | 180.0° |
| C03 | C02 | C14 | H10 | 179.8° | 180.0° |
| C14 | C02 | C01 | H1 | 90.2° | 90.1° |
| C14 | C02 | C01 | H2 | 29.7° | 30.0° |
| C14 | C02 | C01 | H3 | 149.7° | 149.9° |
| C14 | C02 | C03 | H4 | 179.9° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.6° | 0.0° |
| C01 | C02 | C14 | H10 | 0.7° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H5 | 0.1° | 0.0° |
