RDH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C09 | doub | 1.21Å | 1.26Å | |
| C01 | C02 | doub | 1.33Å | 1.32Å | |
| O03 | C02 | sing | 1.36Å | 1.40Å | |
| O03 | C04 | sing | 1.36Å | 1.40Å | |
| C02 | C13 | sing | 1.47Å | 1.53Å | |
| O14 | C13 | doub | 1.21Å | 1.26Å | |
| C13 | O15 | sing | 1.35Å | 1.26Å | |
| C12 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C08 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.52Å | |
| C09 | O10 | sing | 1.35Å | 1.26Å | |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| O10 | H7 | sing | 0.97Å | 0.95Å | |
| O15 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C09 | C08 | 119.5° | 120.0° |
| O11 | C09 | O10 | 120.1° | 120.0° |
| C01 | C02 | O03 | 118.7° | 120.0° |
| C01 | C02 | C13 | 119.5° | 120.0° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C02 | C01 | H2 | 120.0° | 120.0° |
| C02 | O03 | C04 | 118.0° | 118.0° |
| O03 | C02 | C13 | 121.8° | 120.0° |
| O03 | C04 | C12 | 118.8° | 120.0° |
| O03 | C04 | C05 | 121.5° | 120.0° |
| C02 | C13 | O14 | 119.8° | 120.0° |
| C02 | C13 | O15 | 120.5° | 120.0° |
| O14 | C13 | O15 | 119.7° | 120.0° |
| C13 | O15 | H8 | 109.5° | 117.0° |
| C04 | C12 | C08 | 120.4° | 119.8° |
| C12 | C04 | C05 | 119.8° | 120.0° |
| C04 | C12 | H6 | 119.8° | 120.1° |
| C12 | C08 | C09 | 119.1° | 120.1° |
| C12 | C08 | C07 | 119.9° | 119.7° |
| C08 | C12 | H6 | 119.8° | 120.1° |
| C08 | C09 | O10 | 120.4° | 120.0° |
| C09 | C08 | C07 | 120.9° | 120.2° |
| C09 | O10 | H7 | 109.5° | 117.0° |
| C04 | C05 | C06 | 119.9° | 120.3° |
| C04 | C05 | H3 | 120.1° | 119.8° |
| C08 | C07 | C06 | 119.7° | 120.0° |
| C08 | C07 | H5 | 120.2° | 120.0° |
| C05 | C06 | C07 | 120.4° | 120.2° |
| C06 | C05 | H3 | 120.1° | 119.9° |
| C05 | C06 | H4 | 119.8° | 119.8° |
| C07 | C06 | H4 | 119.8° | 120.0° |
| C06 | C07 | H5 | 120.2° | 120.0° |
| H1 | C01 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C09 | C08 | C12 | 16.6° | 0.0° |
| O11 | C09 | C08 | O10 | 179.5° | 180.0° |
| O11 | C09 | C08 | C07 | 163.1° | 180.0° |
| O11 | C09 | O10 | H7 | 0.0° | 0.1° |
| C01 | C02 | O03 | C13 | 178.6° | 180.0° |
| C01 | C02 | O03 | C04 | 133.6° | 113.7° |
| C01 | C02 | C13 | O14 | 2.4° | 180.0° |
| C01 | C02 | C13 | O15 | 177.3° | 0.0° |
| C02 | C01 | H1 | H2 | 180.0° | 179.7° |
| O03 | C02 | C13 | O14 | 176.2° | 0.0° |
| O03 | C02 | C13 | O15 | 4.1° | 180.0° |
| C02 | O03 | C04 | C12 | 132.2° | 6.0° |
| C02 | O03 | C04 | C05 | 49.1° | 174.3° |
| O03 | C02 | C01 | H1 | 178.6° | 5.1° |
| O03 | C02 | C01 | H2 | 1.4° | 174.6° |
| C04 | O03 | C02 | C13 | 47.8° | 66.2° |
| O03 | C04 | C12 | C05 | 178.7° | 179.7° |
| O03 | C04 | C12 | C08 | 179.5° | 179.7° |
| O03 | C04 | C05 | C06 | 179.6° | 179.7° |
| O03 | C04 | C05 | H3 | 0.4° | 0.3° |
| O03 | C04 | C12 | H6 | 0.6° | 0.3° |
| C02 | C13 | O14 | O15 | 179.7° | 180.0° |
| C13 | C02 | C01 | H1 | 0.0° | 174.9° |
| C13 | C02 | C01 | H2 | 180.0° | 5.4° |
| C02 | C13 | O15 | H8 | 179.7° | 179.9° |
| O14 | C13 | O15 | H8 | 0.0° | 0.1° |
| C04 | C12 | C08 | H6 | 180.0° | 180.0° |
| C04 | C12 | C08 | C09 | 179.6° | 180.0° |
| C04 | C12 | C08 | C07 | 0.2° | 0.0° |
| C12 | C04 | C05 | C06 | 0.9° | 0.0° |
| C12 | C04 | C05 | H3 | 179.1° | 180.0° |
| C12 | C08 | C09 | C07 | 179.7° | 180.0° |
| C12 | C08 | C09 | O10 | 162.9° | 180.0° |
| C08 | C12 | C04 | C05 | 0.7° | 0.0° |
| C12 | C08 | C07 | C06 | 0.3° | 0.0° |
| C12 | C08 | C07 | H5 | 179.8° | 180.0° |
| C09 | C08 | C07 | C06 | 180.0° | 180.0° |
| C09 | C08 | C07 | H5 | 0.0° | 0.0° |
| C09 | C08 | C12 | H6 | 0.4° | 0.0° |
| C08 | C09 | O10 | H7 | 179.5° | 179.9° |
| O10 | C09 | C08 | C07 | 17.3° | 0.0° |
| C04 | C05 | C06 | H3 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.5° | 0.1° |
| C04 | C05 | C06 | H4 | 179.5° | 180.0° |
| C05 | C04 | C12 | H6 | 179.3° | 180.0° |
| C08 | C07 | C06 | C05 | 0.1° | 0.0° |
| C08 | C07 | C06 | H5 | 180.0° | 180.0° |
| C08 | C07 | C06 | H4 | 179.9° | 180.0° |
| C07 | C08 | C12 | H6 | 179.9° | 180.0° |
| C05 | C06 | C07 | H4 | 180.0° | 180.0° |
| C05 | C06 | C07 | H5 | 179.9° | 179.9° |
| C07 | C06 | C05 | H3 | 179.5° | 180.0° |
| H3 | C05 | C06 | H4 | 0.5° | 0.0° |
| H4 | C06 | C07 | H5 | 0.1° | 0.0° |
