NRA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.47Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | sing | 1.40Å | 1.32Å | Aromatic |
| C13 | O14 | sing | 1.36Å | 1.37Å | |
| C13 | C15 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C02 | O01 | sing | 1.36Å | 1.38Å | |
| O01 | HO01 | sing | 0.97Å | 0.95Å | |
| C03 | C02 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| O05 | C04 | sing | 1.36Å | 1.38Å | |
| C04 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| O05 | HO05 | sing | 0.97Å | 0.95Å | |
| C07 | C06 | sing | 1.47Å | 1.34Å | |
| C06 | C18 | sing | 1.41Å | 1.43Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.23Å | |
| C07 | C09 | sing | 1.48Å | 1.41Å | |
| C09 | C16 | doub | 1.40Å | 1.37Å | Aromatic |
| O12 | C11 | sing | 1.36Å | 1.36Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C16 | O17 | sing | 1.35Å | 1.40Å | |
| C18 | O17 | sing | 1.35Å | 1.30Å | |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 118.0° | 119.6° |
| C11 | C10 | H10 | 121.0° | 120.2° |
| C10 | C11 | C13 | 121.5° | 119.9° |
| C10 | C11 | O12 | 120.5° | 120.0° |
| C09 | C10 | H10 | 121.0° | 120.2° |
| C10 | C09 | C07 | 121.7° | 120.9° |
| C10 | C09 | C16 | 119.5° | 120.6° |
| C11 | C13 | O14 | 121.9° | 119.7° |
| C11 | C13 | C15 | 119.4° | 120.6° |
| C13 | C11 | O12 | 117.9° | 120.0° |
| O14 | C13 | C15 | 118.6° | 119.7° |
| C13 | O14 | HO14 | 109.5° | 113.9° |
| C13 | C15 | C16 | 119.5° | 120.2° |
| C13 | C15 | H15 | 120.3° | 119.9° |
| C16 | C15 | H15 | 120.2° | 119.9° |
| C15 | C16 | C09 | 122.0° | 119.0° |
| C15 | C16 | O17 | 117.2° | 119.9° |
| C02 | O01 | HO01 | 109.5° | 114.0° |
| O01 | C02 | C03 | 120.7° | 119.6° |
| O01 | C02 | C19 | 119.1° | 119.6° |
| C03 | C02 | C19 | 120.2° | 120.7° |
| C02 | C03 | C04 | 120.4° | 120.0° |
| C02 | C03 | H03 | 119.8° | 119.9° |
| C02 | C19 | C18 | 119.6° | 120.2° |
| C02 | C19 | H19 | 120.2° | 119.9° |
| C04 | C03 | H03 | 119.8° | 120.0° |
| C03 | C04 | O05 | 120.7° | 120.2° |
| C03 | C04 | C06 | 119.7° | 119.5° |
| O05 | C04 | C06 | 119.6° | 120.3° |
| C04 | O05 | HO05 | 109.5° | 114.0° |
| C04 | C06 | C07 | 119.9° | 121.0° |
| C04 | C06 | C18 | 119.5° | 120.5° |
| C07 | C06 | C18 | 120.6° | 118.5° |
| C06 | C07 | O08 | 119.4° | 122.1° |
| C06 | C07 | C09 | 119.4° | 115.9° |
| C06 | C18 | O17 | 120.2° | 121.0° |
| C06 | C18 | C19 | 120.7° | 119.0° |
| O08 | C07 | C09 | 121.2° | 122.0° |
| C07 | C09 | C16 | 118.8° | 118.4° |
| C09 | C16 | O17 | 120.8° | 121.1° |
| C11 | O12 | HO12 | 109.5° | 114.0° |
| C16 | O17 | C18 | 120.3° | 121.9° |
| O17 | C18 | C19 | 119.1° | 120.0° |
| C18 | C19 | H19 | 120.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H10 | 180.0° | 179.7° |
| C10 | C11 | C13 | O12 | 178.7° | 180.0° |
| C10 | C11 | C13 | O14 | 177.3° | 179.8° |
| C10 | C11 | C13 | C15 | 0.1° | 0.2° |
| C11 | C10 | C09 | C07 | 179.9° | 179.6° |
| C11 | C10 | C09 | C16 | 0.3° | 0.3° |
| C10 | C11 | O12 | HO12 | 180.0° | 90.0° |
| C09 | C10 | C11 | C13 | 0.1° | 0.1° |
| C10 | C09 | C16 | C15 | 0.4° | 0.5° |
| C10 | C09 | C07 | C06 | 179.8° | 167.1° |
| C10 | C09 | C07 | O08 | 1.0° | 12.9° |
| C10 | C09 | C07 | C16 | 179.8° | 179.8° |
| C09 | C10 | C11 | O12 | 178.8° | 179.9° |
| C10 | C09 | C16 | O17 | 179.9° | 179.2° |
| H10 | C10 | C11 | C13 | 179.9° | 179.7° |
| H10 | C10 | C09 | C07 | 0.1° | 0.2° |
| H10 | C10 | C09 | C16 | 179.7° | 180.0° |
| H10 | C10 | C11 | O12 | 1.2° | 0.3° |
| C11 | C13 | O14 | C15 | 177.2° | 180.0° |
| C11 | C13 | C15 | C16 | 0.2° | 0.0° |
| C11 | C13 | C15 | H15 | 179.8° | 179.9° |
| C13 | C11 | O12 | HO12 | 1.3° | 90.0° |
| C11 | C13 | O14 | HO14 | 180.0° | 90.0° |
| O14 | C13 | C15 | C16 | 177.5° | 180.0° |
| O14 | C13 | C15 | H15 | 2.6° | 0.1° |
| O14 | C13 | C11 | O12 | 4.1° | 0.2° |
| C13 | C15 | C16 | H15 | 180.0° | 180.0° |
| C13 | C15 | C16 | C09 | 0.4° | 0.4° |
| C15 | C13 | C11 | O12 | 178.8° | 179.8° |
| C15 | C13 | O14 | HO14 | 2.8° | 90.0° |
| C13 | C15 | C16 | O17 | 179.9° | 179.3° |
| C15 | C16 | C09 | C07 | 179.8° | 179.4° |
| C15 | C16 | C09 | O17 | 179.5° | 179.7° |
| C15 | C16 | O17 | C18 | 179.9° | 164.1° |
| H15 | C15 | C16 | C09 | 179.7° | 179.6° |
| H15 | C15 | C16 | O17 | 0.1° | 0.7° |
| O01 | C02 | C03 | C19 | 178.9° | 180.0° |
| O01 | C02 | C03 | C04 | 179.0° | 179.7° |
| O01 | C02 | C03 | H03 | 0.9° | 0.2° |
| O01 | C02 | C19 | C18 | 179.0° | 179.9° |
| O01 | C02 | C19 | H19 | 1.1° | 0.1° |
| HO01 | O01 | C02 | C03 | 180.0° | 90.0° |
| HO01 | O01 | C02 | C19 | 1.1° | 90.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | O05 | 179.4° | 179.7° |
| C02 | C03 | C04 | C06 | 0.0° | 0.1° |
| C03 | C02 | C19 | C18 | 0.1° | 0.1° |
| C03 | C02 | C19 | H19 | 180.0° | 179.9° |
| C19 | C02 | C03 | C04 | 0.2° | 0.3° |
| C19 | C02 | C03 | H03 | 179.8° | 179.8° |
| C02 | C19 | C18 | C06 | 0.2° | 0.4° |
| C02 | C19 | C18 | O17 | 179.8° | 179.4° |
| C02 | C19 | C18 | H19 | 180.0° | 180.0° |
| C03 | C04 | O05 | C06 | 179.4° | 179.9° |
| C03 | C04 | O05 | HO05 | 179.4° | 90.0° |
| C03 | C04 | C06 | C07 | 179.9° | 178.9° |
| C03 | C04 | C06 | C18 | 0.3° | 0.7° |
| H03 | C03 | C04 | O05 | 0.6° | 0.3° |
| H03 | C03 | C04 | C06 | 180.0° | 179.8° |
| O05 | C04 | C06 | C07 | 0.6° | 1.2° |
| O05 | C04 | C06 | C18 | 179.1° | 179.2° |
| C06 | C04 | O05 | HO05 | 1.2° | 89.9° |
| C04 | C06 | C07 | C18 | 179.8° | 179.6° |
| C04 | C06 | C07 | O08 | 1.2° | 12.9° |
| C04 | C06 | C07 | C09 | 179.5° | 167.1° |
| C04 | C06 | C18 | O17 | 179.6° | 179.0° |
| C04 | C06 | C18 | C19 | 0.4° | 0.8° |
| C06 | C07 | O08 | C09 | 179.2° | 180.0° |
| C06 | C07 | C09 | C16 | 0.0° | 12.7° |
| C07 | C06 | C18 | O17 | 0.2° | 1.4° |
| C07 | C06 | C18 | C19 | 179.8° | 178.8° |
| C18 | C06 | C07 | O08 | 179.0° | 167.5° |
| C18 | C06 | C07 | C09 | 0.3° | 12.5° |
| C06 | C18 | O17 | C16 | 0.1° | 16.4° |
| C06 | C18 | O17 | C19 | 180.0° | 179.8° |
| C06 | C18 | C19 | H19 | 179.8° | 179.6° |
| O08 | C07 | C09 | C16 | 179.2° | 167.3° |
| C07 | C09 | C16 | O17 | 0.3° | 1.0° |
| C09 | C16 | O17 | C18 | 0.3° | 16.2° |
| C16 | O17 | C18 | C19 | 179.9° | 163.8° |
| O17 | C18 | C19 | H19 | 0.3° | 0.6° |
