Q5M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.41Å | Aromatic |
| C01 | C06 | sing | 1.36Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.36Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.43Å | Aromatic |
| C05 | C04 | sing | 1.42Å | 1.38Å | Aromatic |
| C05 | C07 | sing | 1.41Å | 1.42Å | Aromatic |
| C04 | C10 | sing | 1.46Å | 1.43Å | Aromatic |
| O12 | C11 | doub | 1.21Å | 1.19Å | |
| C07 | C08 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.53Å | |
| C10 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.51Å | 1.55Å | |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| O16 | C15 | doub | 1.21Å | 1.24Å | |
| C15 | O17 | sing | 1.34Å | 1.24Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| O17 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 120.8° | 121.0° |
| C01 | C02 | C03 | 120.7° | 120.9° |
| C02 | C01 | H3 | 119.6° | 119.5° |
| C01 | C02 | H4 | 119.6° | 119.5° |
| C01 | C06 | C05 | 118.5° | 119.6° |
| C06 | C01 | H3 | 119.6° | 119.5° |
| C01 | C06 | H6 | 120.8° | 120.2° |
| C02 | C03 | C04 | 118.7° | 119.6° |
| C03 | C02 | H4 | 119.6° | 119.6° |
| C02 | C03 | H5 | 120.7° | 120.2° |
| C06 | C05 | C04 | 121.1° | 119.3° |
| C06 | C05 | C07 | 119.0° | 121.3° |
| C05 | C06 | H6 | 120.8° | 120.2° |
| C03 | C04 | C05 | 120.1° | 119.6° |
| C03 | C04 | C10 | 120.5° | 121.5° |
| C04 | C03 | H5 | 120.6° | 120.2° |
| C04 | C05 | C07 | 119.9° | 119.4° |
| C05 | C04 | C10 | 119.3° | 118.9° |
| C05 | C07 | C08 | 120.7° | 120.8° |
| C05 | C07 | H7 | 119.7° | 119.6° |
| C04 | C10 | C11 | 120.2° | 120.8° |
| C04 | C10 | C09 | 120.7° | 118.6° |
| O12 | C11 | C10 | 118.6° | 120.0° |
| O12 | C11 | C13 | 122.4° | 120.0° |
| C07 | C08 | C09 | 119.4° | 121.9° |
| C08 | C07 | H7 | 119.7° | 119.6° |
| C07 | C08 | H8 | 120.3° | 119.1° |
| C11 | C10 | C09 | 119.0° | 120.7° |
| C10 | C11 | C13 | 118.9° | 120.0° |
| C10 | C09 | C08 | 119.9° | 120.5° |
| C10 | C09 | H9 | 120.0° | 119.7° |
| C11 | C13 | C14 | 107.1° | 109.5° |
| C11 | C13 | H1 | 110.1° | 109.5° |
| C11 | C13 | H2 | 110.1° | 109.5° |
| C09 | C08 | H8 | 120.3° | 119.0° |
| C08 | C09 | H9 | 120.1° | 119.8° |
| C13 | C14 | C15 | 117.8° | 109.5° |
| C14 | C13 | H1 | 110.1° | 109.4° |
| C14 | C13 | H2 | 110.1° | 109.5° |
| C13 | C14 | H10 | 107.3° | 109.5° |
| C13 | C14 | H11 | 107.3° | 109.5° |
| C14 | C15 | O16 | 119.5° | 120.0° |
| C14 | C15 | O17 | 123.0° | 120.0° |
| C15 | C14 | H10 | 107.4° | 109.5° |
| C15 | C14 | H11 | 107.3° | 109.5° |
| O16 | C15 | O17 | 117.5° | 120.0° |
| C15 | O17 | H12 | 109.5° | 117.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H3 | 180.0° | 179.9° |
| C01 | C02 | C03 | H4 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 1.5° | 0.0° |
| C01 | C02 | C03 | C04 | 0.5° | 0.1° |
| C01 | C02 | C03 | H5 | 179.5° | 180.0° |
| C02 | C01 | C06 | H6 | 178.4° | 180.0° |
| C06 | C01 | C02 | C03 | 0.9° | 0.0° |
| C01 | C06 | C05 | H6 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 1.8° | 0.0° |
| C01 | C06 | C05 | C07 | 178.9° | 180.0° |
| C06 | C01 | C02 | H4 | 179.1° | 180.0° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.1° |
| C02 | C03 | C04 | C10 | 179.6° | 180.0° |
| C03 | C02 | C01 | H3 | 179.1° | 180.0° |
| C06 | C05 | C04 | C03 | 1.4° | 0.1° |
| C06 | C05 | C04 | C07 | 179.3° | 180.0° |
| C06 | C05 | C04 | C10 | 179.7° | 180.0° |
| C06 | C05 | C07 | C08 | 179.2° | 180.0° |
| C05 | C06 | C01 | H3 | 178.5° | 180.0° |
| C06 | C05 | C07 | H7 | 0.8° | 0.0° |
| C03 | C04 | C05 | C10 | 178.9° | 180.0° |
| C03 | C04 | C05 | C07 | 179.3° | 180.0° |
| C03 | C04 | C10 | C11 | 0.6° | 0.0° |
| C03 | C04 | C10 | C09 | 179.3° | 179.7° |
| C04 | C03 | C02 | H4 | 179.5° | 179.9° |
| C04 | C05 | C07 | C08 | 0.1° | 0.0° |
| C05 | C04 | C10 | C11 | 179.5° | 180.0° |
| C05 | C04 | C10 | C09 | 0.4° | 0.3° |
| C05 | C04 | C03 | H5 | 179.3° | 180.0° |
| C04 | C05 | C06 | H6 | 178.2° | 180.0° |
| C04 | C05 | C07 | H7 | 179.9° | 180.0° |
| C07 | C05 | C04 | C10 | 0.4° | 0.0° |
| C05 | C07 | C08 | H7 | 180.0° | 180.0° |
| C05 | C07 | C08 | C09 | 0.7° | 0.3° |
| C07 | C05 | C06 | H6 | 1.1° | 0.0° |
| C05 | C07 | C08 | H8 | 179.3° | 180.0° |
| C04 | C10 | C11 | O12 | 37.7° | 5.2° |
| C04 | C10 | C11 | C09 | 180.0° | 179.7° |
| C04 | C10 | C11 | C13 | 142.0° | 174.7° |
| C04 | C10 | C09 | C08 | 0.1° | 0.6° |
| C10 | C04 | C03 | H5 | 0.4° | 0.0° |
| C04 | C10 | C09 | H9 | 179.9° | 179.7° |
| O12 | C11 | C10 | C13 | 179.7° | 179.9° |
| O12 | C11 | C10 | C09 | 142.2° | 174.4° |
| O12 | C11 | C13 | C14 | 121.8° | 0.0° |
| O12 | C11 | C13 | H1 | 118.6° | 119.9° |
| O12 | C11 | C13 | H2 | 2.1° | 120.1° |
| C07 | C08 | C09 | C10 | 0.7° | 0.6° |
| C07 | C08 | C09 | H8 | 180.0° | 179.7° |
| C07 | C08 | C09 | H9 | 179.3° | 179.7° |
| C11 | C10 | C09 | C08 | 179.9° | 179.7° |
| C10 | C11 | C13 | C14 | 58.0° | 180.0° |
| C10 | C11 | C13 | H1 | 61.6° | 60.0° |
| C10 | C11 | C13 | H2 | 177.6° | 60.0° |
| C11 | C10 | C09 | H9 | 0.1° | 0.0° |
| C09 | C10 | C11 | C13 | 38.0° | 5.7° |
| C10 | C09 | C08 | H9 | 180.0° | 179.7° |
| C10 | C09 | C08 | H8 | 179.3° | 179.7° |
| C11 | C13 | C14 | H1 | 119.6° | 120.0° |
| C11 | C13 | C14 | H2 | 119.6° | 120.0° |
| C11 | C13 | C14 | C15 | 166.2° | 180.0° |
| C11 | C13 | H1 | H2 | 121.1° | 120.0° |
| C11 | C13 | C14 | H10 | 45.0° | 60.0° |
| C11 | C13 | C14 | H11 | 72.6° | 60.0° |
| C09 | C08 | C07 | H7 | 179.3° | 179.7° |
| C13 | C14 | C15 | H10 | 121.2° | 120.0° |
| C13 | C14 | C15 | H11 | 121.2° | 120.0° |
| C13 | C14 | C15 | O16 | 57.5° | 0.0° |
| C13 | C14 | C15 | O17 | 122.2° | 180.0° |
| C14 | C13 | H1 | H2 | 121.1° | 120.0° |
| C13 | C14 | H10 | H11 | 116.2° | 120.0° |
| C14 | C15 | O16 | O17 | 179.7° | 180.0° |
| C15 | C14 | C13 | H1 | 74.1° | 60.0° |
| C15 | C14 | C13 | H2 | 46.6° | 60.0° |
| C15 | C14 | H10 | H11 | 116.2° | 120.0° |
| C14 | C15 | O17 | H12 | 179.6° | 180.0° |
| O16 | C15 | C14 | H10 | 63.7° | 120.1° |
| O16 | C15 | C14 | H11 | 178.7° | 120.0° |
| O16 | C15 | O17 | H12 | 0.0° | 0.0° |
| O17 | C15 | C14 | H10 | 116.6° | 60.0° |
| O17 | C15 | C14 | H11 | 1.0° | 60.0° |
| H1 | C13 | C14 | H10 | 164.7° | 180.0° |
| H1 | C13 | C14 | H11 | 47.0° | 60.0° |
| H2 | C13 | C14 | H10 | 74.6° | 60.0° |
| H2 | C13 | C14 | H11 | 167.8° | 180.0° |
| H3 | C01 | C02 | H4 | 0.9° | 0.0° |
| H3 | C01 | C06 | H6 | 1.5° | 0.0° |
| H4 | C02 | C03 | H5 | 0.5° | 0.0° |
| H7 | C07 | C08 | H8 | 0.7° | 0.0° |
| H8 | C08 | C09 | H9 | 0.6° | 0.0° |
