OO3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C08 | doub | 1.22Å | 1.24Å | |
| N01 | C02 | sing | 1.40Å | 1.38Å | |
| C11 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C07 | sing | 1.40Å | 1.36Å | Aromatic |
| C08 | O09 | sing | 1.35Å | 1.24Å | |
| C08 | C07 | sing | 1.47Å | 1.58Å | |
| C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | O06 | sing | 1.36Å | 1.41Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| O06 | H6 | sing | 0.97Å | 0.95Å | |
| O09 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C08 | O09 | 120.3° | 120.0° |
| O10 | C08 | C07 | 121.1° | 120.0° |
| N01 | C02 | C11 | 119.1° | 120.0° |
| N01 | C02 | C03 | 119.6° | 119.9° |
| C02 | N01 | H4 | 109.5° | 120.0° |
| C02 | N01 | H5 | 109.5° | 120.0° |
| C02 | C11 | C07 | 119.1° | 119.8° |
| C11 | C02 | C03 | 121.3° | 120.2° |
| C02 | C11 | H3 | 120.4° | 120.0° |
| C11 | C07 | C08 | 121.2° | 120.2° |
| C11 | C07 | C05 | 119.8° | 119.7° |
| C07 | C11 | H3 | 120.5° | 120.1° |
| O09 | C08 | C07 | 118.7° | 120.0° |
| C08 | O09 | H7 | 109.5° | 117.0° |
| C08 | C07 | C05 | 119.0° | 120.2° |
| C02 | C03 | C04 | 119.7° | 120.3° |
| C02 | C03 | H1 | 120.1° | 119.9° |
| C07 | C05 | C04 | 120.6° | 119.9° |
| C07 | C05 | O06 | 118.9° | 120.1° |
| C03 | C04 | C05 | 119.5° | 120.2° |
| C04 | C03 | H1 | 120.2° | 119.9° |
| C03 | C04 | H2 | 120.3° | 119.9° |
| C04 | C05 | O06 | 120.5° | 120.1° |
| C05 | C04 | H2 | 120.3° | 119.9° |
| C05 | O06 | H6 | 109.5° | 114.0° |
| H4 | N01 | H5 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C08 | C07 | C11 | 4.1° | 180.0° |
| O10 | C08 | O09 | C07 | 179.4° | 180.0° |
| O10 | C08 | C07 | C05 | 176.6° | 0.0° |
| O10 | C08 | O09 | H7 | 0.0° | 0.0° |
| N01 | C02 | C11 | C03 | 179.6° | 179.7° |
| N01 | C02 | C11 | C07 | 179.9° | 179.7° |
| N01 | C02 | C03 | C04 | 179.7° | 179.7° |
| N01 | C02 | C03 | H1 | 0.3° | 0.3° |
| N01 | C02 | C11 | H3 | 0.1° | 0.3° |
| C02 | N01 | H4 | H5 | 120.0° | 180.0° |
| C02 | C11 | C07 | H3 | 180.0° | 180.0° |
| C02 | C11 | C07 | C08 | 179.7° | 180.0° |
| C02 | C11 | C07 | C05 | 0.5° | 0.0° |
| C11 | C02 | C03 | C04 | 0.1° | 0.0° |
| C11 | C02 | C03 | H1 | 179.9° | 180.0° |
| C11 | C02 | N01 | H4 | 180.0° | 179.7° |
| C11 | C02 | N01 | H5 | 60.0° | 0.3° |
| C11 | C07 | C08 | O09 | 175.3° | 0.0° |
| C11 | C07 | C08 | C05 | 179.2° | 180.0° |
| C07 | C11 | C02 | C03 | 0.5° | 0.0° |
| C11 | C07 | C05 | C04 | 0.1° | 0.0° |
| C11 | C07 | C05 | O06 | 179.6° | 179.9° |
| O09 | C08 | C07 | C05 | 4.0° | 180.0° |
| C08 | C07 | C05 | C04 | 179.4° | 180.0° |
| C08 | C07 | C05 | O06 | 0.4° | 0.1° |
| C08 | C07 | C11 | H3 | 0.3° | 0.0° |
| C07 | C08 | O09 | H7 | 179.4° | 180.0° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | H2 | 179.7° | 179.9° |
| C03 | C02 | C11 | H3 | 179.5° | 180.0° |
| C03 | C02 | N01 | H4 | 0.4° | 0.0° |
| C03 | C02 | N01 | H5 | 119.6° | 180.0° |
| C07 | C05 | C04 | C03 | 0.3° | 0.0° |
| C07 | C05 | C04 | O06 | 179.8° | 179.9° |
| C07 | C05 | C04 | H2 | 179.7° | 179.9° |
| C05 | C07 | C11 | H3 | 179.5° | 180.0° |
| C07 | C05 | O06 | H6 | 180.0° | 90.0° |
| C03 | C04 | C05 | H2 | 180.0° | 179.9° |
| C03 | C04 | C05 | O06 | 180.0° | 179.9° |
| C05 | C04 | C03 | H1 | 179.7° | 180.0° |
| C04 | C05 | O06 | H6 | 0.2° | 90.0° |
| O06 | C05 | C04 | H2 | 0.0° | 0.0° |
| H1 | C03 | C04 | H2 | 0.3° | 0.0° |
