A1BVZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C10 | doub | 1.21Å | 1.24Å | |
| C10 | O11 | sing | 1.35Å | 1.25Å | |
| C10 | C09 | sing | 1.48Å | 1.53Å | |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | C04 | sing | 1.41Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.21Å | |
| C04 | C02 | sing | 1.47Å | 1.45Å | |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| O11 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C10 | O11 | 128.3° | 120.0° |
| O12 | C10 | C09 | 117.3° | 120.0° |
| O11 | C10 | C09 | 114.4° | 120.1° |
| C10 | O11 | H8 | 109.5° | 117.0° |
| C10 | C09 | C08 | 116.9° | 120.2° |
| C10 | C09 | C04 | 123.9° | 120.2° |
| C08 | C09 | C04 | 119.2° | 119.6° |
| C09 | C08 | C07 | 119.9° | 120.0° |
| C09 | C08 | H7 | 120.0° | 120.0° |
| C09 | C04 | C02 | 121.7° | 120.3° |
| C09 | C04 | C05 | 120.7° | 119.6° |
| C08 | C07 | C06 | 119.6° | 120.5° |
| C08 | C07 | H6 | 120.2° | 119.8° |
| C07 | C08 | H7 | 120.1° | 120.0° |
| O03 | C02 | C04 | 120.1° | 120.0° |
| O03 | C02 | C01 | 120.9° | 120.0° |
| C02 | C04 | C05 | 117.6° | 120.2° |
| C04 | C02 | C01 | 119.0° | 120.0° |
| C04 | C05 | C06 | 120.3° | 119.9° |
| C04 | C05 | H4 | 119.9° | 120.1° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C07 | C06 | C05 | 120.4° | 120.4° |
| C07 | C06 | H5 | 119.8° | 119.8° |
| C06 | C07 | H6 | 120.2° | 119.8° |
| C06 | C05 | H4 | 119.8° | 120.0° |
| C05 | C06 | H5 | 119.8° | 119.7° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C10 | O11 | C09 | 179.3° | 179.7° |
| O12 | C10 | C09 | C08 | 104.5° | 173.9° |
| O12 | C10 | C09 | C04 | 76.5° | 6.6° |
| O12 | C10 | O11 | H8 | 0.0° | 0.3° |
| O11 | C10 | C09 | C08 | 74.9° | 5.7° |
| O11 | C10 | C09 | C04 | 104.1° | 173.7° |
| C10 | C09 | C08 | C04 | 179.0° | 179.5° |
| C10 | C09 | C08 | C07 | 179.9° | 180.0° |
| C10 | C09 | C04 | C02 | 0.7° | 0.3° |
| C10 | C09 | C04 | C05 | 180.0° | 180.0° |
| C10 | C09 | C08 | H7 | 0.1° | 0.3° |
| C09 | C10 | O11 | H8 | 179.3° | 180.0° |
| C09 | C08 | C07 | H7 | 180.0° | 179.7° |
| C08 | C09 | C04 | C02 | 179.7° | 179.8° |
| C08 | C09 | C04 | C05 | 1.0° | 0.5° |
| C09 | C08 | C07 | C06 | 0.4° | 0.3° |
| C09 | C08 | C07 | H6 | 179.6° | 179.7° |
| C04 | C09 | C08 | C07 | 0.8° | 0.5° |
| C09 | C04 | C02 | O03 | 121.0° | 102.9° |
| C09 | C04 | C02 | C05 | 179.3° | 179.7° |
| C09 | C04 | C02 | C01 | 59.1° | 77.1° |
| C09 | C04 | C05 | C06 | 0.7° | 0.3° |
| C09 | C04 | C05 | H4 | 179.3° | 179.8° |
| C04 | C09 | C08 | H7 | 179.1° | 179.8° |
| C08 | C07 | C06 | H6 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.1° | 0.1° |
| C08 | C07 | C06 | H5 | 179.9° | 180.0° |
| O03 | C02 | C04 | C01 | 180.0° | 180.0° |
| O03 | C02 | C04 | C05 | 58.4° | 76.8° |
| O03 | C02 | C01 | H1 | 0.0° | 0.0° |
| O03 | C02 | C01 | H2 | 120.0° | 120.0° |
| O03 | C02 | C01 | H3 | 120.0° | 120.0° |
| C02 | C04 | C05 | C06 | 179.9° | 180.0° |
| C04 | C02 | C01 | H1 | 180.0° | 180.0° |
| C04 | C02 | C01 | H2 | 60.0° | 60.0° |
| C04 | C02 | C01 | H3 | 60.0° | 60.0° |
| C02 | C04 | C05 | H4 | 0.1° | 0.0° |
| C05 | C04 | C02 | C01 | 121.6° | 103.2° |
| C04 | C05 | C06 | C07 | 0.3° | 0.0° |
| C04 | C05 | C06 | H4 | 180.0° | 180.0° |
| C04 | C05 | C06 | H5 | 179.8° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C07 | C06 | C05 | H4 | 179.7° | 180.0° |
| C06 | C07 | C08 | H7 | 179.6° | 180.0° |
| C05 | C06 | C07 | H6 | 179.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C05 | C06 | H5 | 0.3° | 0.0° |
| H5 | C06 | C07 | H6 | 0.1° | 0.0° |
| H6 | C07 | C08 | H7 | 0.4° | 0.1° |






