5O6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.41Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C13 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.50Å | |
| C06 | C05 | doub | 1.40Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| C07 | C09 | doub | 1.35Å | 1.35Å | |
| C09 | C10 | sing | 1.42Å | 1.51Å | |
| O12 | C10 | doub | 1.22Å | 1.25Å | |
| C10 | O11 | sing | 1.35Å | 1.26Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| O11 | H10 | sing | 0.97Å | 0.95Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C03 | 119.4° | 120.1° |
| C14 | C13 | C06 | 119.3° | 119.9° |
| C14 | C13 | H11 | 120.4° | 120.1° |
| C13 | C14 | H12 | 120.3° | 119.9° |
| C14 | C03 | O02 | 119.3° | 119.9° |
| C14 | C03 | C04 | 121.0° | 120.2° |
| C03 | C14 | H12 | 120.3° | 119.9° |
| C03 | O02 | C01 | 114.4° | 117.0° |
| O02 | C03 | C04 | 119.6° | 119.9° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| C13 | C06 | C07 | 120.4° | 120.1° |
| C13 | C06 | C05 | 121.8° | 119.8° |
| C06 | C13 | H11 | 120.3° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.1° |
| C03 | C04 | H4 | 120.0° | 120.0° |
| C07 | C06 | C05 | 117.7° | 120.1° |
| C06 | C07 | C08 | 119.8° | 120.0° |
| C06 | C07 | C09 | 114.2° | 120.0° |
| C06 | C05 | C04 | 118.4° | 119.9° |
| C06 | C05 | H5 | 120.8° | 120.0° |
| C05 | C04 | H4 | 120.0° | 119.9° |
| C04 | C05 | H5 | 120.8° | 120.1° |
| C08 | C07 | C09 | 125.9° | 120.0° |
| C07 | C08 | H6 | 109.5° | 109.5° |
| C07 | C08 | H7 | 109.4° | 109.4° |
| C07 | C08 | H8 | 109.5° | 109.5° |
| C07 | C09 | C10 | 125.5° | 120.0° |
| C07 | C09 | H9 | 117.2° | 120.0° |
| C09 | C10 | O12 | 121.4° | 120.0° |
| C09 | C10 | O11 | 118.6° | 120.0° |
| C10 | C09 | H9 | 117.3° | 120.0° |
| O12 | C10 | O11 | 119.9° | 120.0° |
| C10 | O11 | H10 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.4° |
| H6 | C08 | H8 | 109.5° | 109.6° |
| H7 | C08 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C03 | H12 | 180.0° | 179.5° |
| C13 | C14 | C03 | O02 | 179.9° | 179.8° |
| C14 | C13 | C06 | H11 | 180.0° | 179.8° |
| C13 | C14 | C03 | C04 | 1.7° | 0.5° |
| C14 | C13 | C06 | C07 | 179.6° | 179.7° |
| C14 | C13 | C06 | C05 | 3.1° | 0.2° |
| C14 | C03 | O02 | C04 | 178.2° | 179.7° |
| C14 | C03 | O02 | C01 | 139.9° | 0.3° |
| C03 | C14 | C13 | C06 | 2.5° | 0.5° |
| C14 | C03 | C04 | C05 | 1.3° | 0.3° |
| C14 | C03 | C04 | H4 | 178.8° | 179.7° |
| C03 | C14 | C13 | H11 | 177.5° | 179.7° |
| O02 | C03 | C04 | C05 | 179.4° | 180.0° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.1° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C04 | H4 | 0.6° | 0.0° |
| O02 | C03 | C14 | H12 | 0.2° | 0.3° |
| C01 | O02 | C03 | C04 | 41.9° | 180.0° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C13 | C06 | C07 | C05 | 176.7° | 179.9° |
| C13 | C06 | C05 | C04 | 2.6° | 0.1° |
| C13 | C06 | C07 | C08 | 141.7° | 65.1° |
| C13 | C06 | C07 | C09 | 38.6° | 115.0° |
| C13 | C06 | C05 | H5 | 177.4° | 180.0° |
| C06 | C13 | C14 | H12 | 177.5° | 180.0° |
| C03 | C04 | C05 | C06 | 1.7° | 0.0° |
| C03 | C04 | C05 | H4 | 180.0° | 180.0° |
| C03 | C04 | C05 | H5 | 178.3° | 179.9° |
| C04 | C03 | C14 | H12 | 178.4° | 180.0° |
| C07 | C06 | C05 | C04 | 179.3° | 180.0° |
| C06 | C07 | C08 | C09 | 179.7° | 179.9° |
| C06 | C07 | C09 | C10 | 178.1° | 171.4° |
| C07 | C06 | C05 | H5 | 0.7° | 0.1° |
| C06 | C07 | C08 | H6 | 180.0° | 95.9° |
| C06 | C07 | C08 | H7 | 60.0° | 144.2° |
| C06 | C07 | C08 | H8 | 60.0° | 24.2° |
| C06 | C07 | C09 | H9 | 1.9° | 8.7° |
| C07 | C06 | C13 | H11 | 0.3° | 0.1° |
| C06 | C05 | C04 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 41.6° | 115.0° |
| C05 | C06 | C07 | C09 | 138.1° | 64.9° |
| C06 | C05 | C04 | H4 | 178.3° | 180.0° |
| C05 | C06 | C13 | H11 | 176.9° | 180.0° |
| C08 | C07 | C09 | C10 | 1.6° | 8.5° |
| C07 | C08 | H6 | H7 | 120.0° | 119.9° |
| C07 | C08 | H6 | H8 | 120.0° | 120.0° |
| C07 | C08 | H7 | H8 | 120.0° | 120.0° |
| C08 | C07 | C09 | H9 | 178.3° | 171.4° |
| C07 | C09 | C10 | H9 | 180.0° | 179.9° |
| C07 | C09 | C10 | O12 | 38.5° | 3.2° |
| C07 | C09 | C10 | O11 | 138.8° | 176.8° |
| C09 | C07 | C08 | H6 | 0.3° | 84.0° |
| C09 | C07 | C08 | H7 | 119.7° | 35.9° |
| C09 | C07 | C08 | H8 | 120.3° | 155.9° |
| C09 | C10 | O12 | O11 | 177.3° | 180.0° |
| C09 | C10 | O11 | H10 | 177.3° | 180.0° |
| O12 | C10 | C09 | H9 | 141.5° | 176.9° |
| O12 | C10 | O11 | H10 | 0.0° | 0.0° |
| O11 | C10 | C09 | H9 | 41.2° | 3.2° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C04 | C05 | H5 | 1.7° | 0.1° |
| H6 | C08 | H7 | H8 | 120.0° | 120.1° |
| H11 | C13 | C14 | H12 | 2.5° | 0.2° |
