A1ABE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | O11 | sing | 1.34Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.39Å | Aromatic |
| O11 | C10 | sing | 1.35Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.45Å | Aromatic |
| C10 | C14 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | C08 | sing | 1.48Å | 1.45Å | |
| C07 | C08 | doub | 1.40Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.43Å | Aromatic |
| C09 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.41Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.61Å | |
| C02 | O01 | doub | 1.21Å | 1.25Å | |
| C02 | O03 | sing | 1.35Å | 1.25Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C12 | C13 | 109.4° | 108.7° |
| C12 | O11 | C10 | 109.1° | 109.4° |
| O11 | C12 | H121 | 125.3° | 125.6° |
| C12 | C13 | C14 | 106.1° | 107.0° |
| C12 | C13 | H131 | 127.0° | 126.4° |
| C13 | C12 | H121 | 125.3° | 125.7° |
| O11 | C10 | C14 | 108.1° | 108.2° |
| O11 | C10 | C08 | 123.5° | 125.9° |
| C13 | C14 | C10 | 107.4° | 106.7° |
| C14 | C13 | H131 | 126.9° | 126.5° |
| C13 | C14 | H141 | 126.3° | 126.6° |
| C14 | C10 | C08 | 128.4° | 125.9° |
| C10 | C14 | H141 | 126.3° | 126.7° |
| C10 | C08 | C07 | 120.9° | 120.1° |
| C10 | C08 | C09 | 121.3° | 120.1° |
| C08 | C07 | C06 | 119.8° | 120.2° |
| C07 | C08 | C09 | 117.7° | 119.8° |
| C08 | C07 | H071 | 120.1° | 119.9° |
| C07 | C06 | C05 | 120.6° | 120.3° |
| C07 | C06 | H061 | 119.7° | 119.9° |
| C06 | C07 | H071 | 120.1° | 119.9° |
| C08 | C09 | C04 | 124.4° | 119.7° |
| C08 | C09 | H091 | 117.8° | 120.1° |
| C06 | C05 | C04 | 121.5° | 120.1° |
| C06 | C05 | H051 | 119.3° | 120.0° |
| C05 | C06 | H061 | 119.7° | 119.8° |
| C09 | C04 | C05 | 116.0° | 119.8° |
| C09 | C04 | C02 | 120.4° | 120.1° |
| C04 | C09 | H091 | 117.8° | 120.2° |
| C05 | C04 | C02 | 123.6° | 120.1° |
| C04 | C05 | H051 | 119.3° | 119.9° |
| C04 | C02 | O01 | 116.4° | 120.0° |
| C04 | C02 | O03 | 118.6° | 120.0° |
| O01 | C02 | O03 | 124.9° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C12 | C13 | H121 | 180.0° | 179.8° |
| O11 | C12 | C13 | C14 | 0.6° | 0.4° |
| C12 | O11 | C10 | C14 | 1.0° | 0.0° |
| C12 | O11 | C10 | C08 | 177.9° | 179.8° |
| O11 | C12 | C13 | H131 | 179.4° | 180.0° |
| C13 | C12 | O11 | C10 | 1.0° | 0.2° |
| C12 | C13 | C14 | H131 | 180.0° | 179.6° |
| C12 | C13 | C14 | C10 | 0.1° | 0.4° |
| C12 | C13 | C14 | H141 | 180.0° | 179.7° |
| O11 | C10 | C14 | C13 | 0.7° | 0.3° |
| O11 | C10 | C14 | C08 | 176.7° | 179.8° |
| O11 | C10 | C08 | C07 | 2.6° | 179.7° |
| O11 | C10 | C08 | C09 | 173.2° | 0.0° |
| C10 | O11 | C12 | H121 | 179.0° | 180.0° |
| O11 | C10 | C14 | H141 | 179.4° | 179.8° |
| C13 | C14 | C10 | H141 | 180.0° | 179.9° |
| C13 | C14 | C10 | C08 | 177.3° | 180.0° |
| C14 | C13 | C12 | H121 | 179.4° | 179.8° |
| C14 | C10 | C08 | C07 | 178.8° | 0.0° |
| C14 | C10 | C08 | C09 | 3.0° | 179.8° |
| C10 | C14 | C13 | H131 | 179.9° | 180.0° |
| C10 | C08 | C07 | C09 | 175.9° | 179.7° |
| C10 | C08 | C07 | C06 | 178.2° | 180.0° |
| C10 | C08 | C09 | C04 | 178.2° | 179.8° |
| C10 | C08 | C07 | H071 | 1.8° | 0.4° |
| C10 | C08 | C09 | H091 | 1.8° | 0.1° |
| C08 | C10 | C14 | H141 | 2.7° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.6° |
| C08 | C07 | C06 | C05 | 0.8° | 0.0° |
| C07 | C08 | C09 | C04 | 2.3° | 0.5° |
| C08 | C07 | C06 | H061 | 179.2° | 179.9° |
| C07 | C08 | C09 | H091 | 177.7° | 179.7° |
| C06 | C07 | C08 | C09 | 2.2° | 0.3° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.7° | 0.0° |
| C07 | C06 | C05 | H051 | 179.3° | 180.0° |
| C08 | C09 | C04 | H091 | 180.0° | 179.8° |
| C08 | C09 | C04 | C05 | 0.8° | 0.5° |
| C08 | C09 | C04 | C02 | 178.9° | 179.7° |
| C09 | C08 | C07 | H071 | 177.8° | 179.9° |
| C06 | C05 | C04 | C09 | 0.7° | 0.2° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C02 | 179.6° | 180.0° |
| C05 | C06 | C07 | H071 | 179.1° | 179.6° |
| C09 | C04 | C05 | C02 | 179.7° | 179.8° |
| C09 | C04 | C02 | O01 | 1.6° | 0.3° |
| C09 | C04 | C02 | O03 | 178.4° | 179.8° |
| C09 | C04 | C05 | H051 | 179.3° | 179.7° |
| C05 | C04 | C02 | O01 | 178.8° | 179.9° |
| C05 | C04 | C02 | O03 | 1.2° | 0.0° |
| C04 | C05 | C06 | H061 | 179.3° | 180.0° |
| C05 | C04 | C09 | H091 | 179.2° | 179.7° |
| C04 | C02 | O01 | O03 | 180.0° | 180.0° |
| C02 | C04 | C05 | H051 | 0.4° | 0.1° |
| C02 | C04 | C09 | H091 | 1.1° | 0.1° |
| C04 | C02 | O03 | H1 | 180.0° | 180.0° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| H131 | C13 | C12 | H121 | 0.6° | 0.2° |
| H131 | C13 | C14 | H141 | 0.1° | 0.1° |
| H051 | C05 | C06 | H061 | 0.7° | 0.1° |
| H061 | C06 | C07 | H071 | 0.9° | 0.3° |
