A1BYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C07 | doub | 1.34Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.47Å | 1.42Å | Aromatic |
| C07 | O08 | sing | 1.34Å | 1.39Å | Aromatic |
| C10 | S11 | sing | 1.76Å | 1.80Å | Aromatic |
| C10 | C04 | doub | 1.34Å | 1.48Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.52Å | |
| C05 | C09 | doub | 1.36Å | 1.42Å | Aromatic |
| S11 | C02 | sing | 1.76Å | 1.72Å | Aromatic |
| C04 | N03 | sing | 1.33Å | 1.46Å | Aromatic |
| O08 | C09 | sing | 1.34Å | 1.42Å | Aromatic |
| N03 | C02 | doub | 1.30Å | 1.36Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.47Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C06 | C05 | 107.4° | 106.0° |
| C06 | C07 | O08 | 108.6° | 109.0° |
| C07 | C06 | H061 | 126.3° | 127.0° |
| C06 | C07 | H071 | 125.7° | 125.5° |
| C06 | C05 | C04 | 125.7° | 127.1° |
| C06 | C05 | C09 | 109.1° | 105.8° |
| C05 | C06 | H061 | 126.3° | 127.0° |
| C07 | O08 | C09 | 110.0° | 110.7° |
| O08 | C07 | H071 | 125.7° | 125.5° |
| S11 | C10 | C04 | 106.3° | 108.3° |
| C10 | S11 | C02 | 97.3° | 90.0° |
| S11 | C10 | H101 | 126.9° | 125.9° |
| C10 | C04 | C05 | 126.1° | 122.3° |
| C10 | C04 | N03 | 109.1° | 115.4° |
| C04 | C10 | H101 | 126.8° | 125.8° |
| C04 | C05 | C09 | 125.2° | 127.1° |
| C05 | C04 | N03 | 124.8° | 122.3° |
| C05 | C09 | O08 | 104.9° | 108.5° |
| C05 | C09 | H091 | 127.6° | 125.8° |
| S11 | C02 | N03 | 106.6° | 109.3° |
| S11 | C02 | N01 | 127.4° | 125.3° |
| C04 | N03 | C02 | 120.7° | 117.0° |
| O08 | C09 | H091 | 127.6° | 125.7° |
| N03 | C02 | N01 | 126.1° | 125.3° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| H012 | N01 | H011 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C07 | O08 | H071 | 180.0° | 179.8° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C05 | C09 | 0.1° | 0.2° |
| C06 | C07 | O08 | C09 | 0.1° | 0.4° |
| C05 | C06 | C07 | O08 | 0.0° | 0.1° |
| C06 | C05 | C04 | C10 | 88.7° | 174.6° |
| C06 | C05 | C04 | C09 | 179.8° | 179.7° |
| C06 | C05 | C04 | N03 | 91.7° | 5.2° |
| C06 | C05 | C09 | O08 | 0.1° | 0.4° |
| C05 | C06 | C07 | H071 | 180.0° | 179.9° |
| C06 | C05 | C09 | H091 | 179.9° | 179.8° |
| C07 | O08 | C09 | C05 | 0.1° | 0.5° |
| O08 | C07 | C06 | H061 | 180.0° | 180.0° |
| C07 | O08 | C09 | H091 | 179.9° | 179.7° |
| S11 | C10 | C04 | H101 | 180.0° | 179.8° |
| S11 | C10 | C04 | C05 | 179.7° | 179.8° |
| S11 | C10 | C04 | N03 | 0.1° | 0.1° |
| C10 | S11 | C02 | N03 | 0.0° | 0.3° |
| C10 | S11 | C02 | N01 | 179.8° | 179.9° |
| C10 | C04 | C05 | N03 | 179.5° | 179.9° |
| C10 | C04 | C05 | C09 | 91.4° | 5.1° |
| C04 | C10 | S11 | C02 | 0.1° | 0.2° |
| C10 | C04 | N03 | C02 | 0.1° | 0.1° |
| C04 | C05 | C09 | O08 | 180.0° | 179.8° |
| C05 | C04 | N03 | C02 | 179.8° | 180.0° |
| C04 | C05 | C06 | H061 | 0.1° | 0.1° |
| C04 | C05 | C09 | H091 | 0.0° | 0.0° |
| C05 | C04 | C10 | H101 | 0.2° | 0.0° |
| C09 | C05 | C04 | N03 | 88.1° | 175.1° |
| C05 | C09 | O08 | H091 | 180.0° | 179.8° |
| C09 | C05 | C06 | H061 | 180.0° | 179.7° |
| S11 | C02 | N03 | C04 | 0.1° | 0.3° |
| S11 | C02 | N03 | N01 | 179.8° | 179.7° |
| C02 | S11 | C10 | H101 | 179.9° | 180.0° |
| S11 | C02 | N01 | H012 | 0.0° | 179.7° |
| S11 | C02 | N01 | H011 | 120.0° | 0.3° |
| C04 | N03 | C02 | N01 | 179.7° | 180.0° |
| N03 | C04 | C10 | H101 | 179.8° | 179.9° |
| C09 | O08 | C07 | H071 | 179.9° | 179.8° |
| N03 | C02 | N01 | H012 | 179.8° | 0.1° |
| N03 | C02 | N01 | H011 | 60.3° | 180.0° |
| C02 | N01 | H012 | H011 | 120.0° | 179.9° |
| H061 | C06 | C07 | H071 | 0.0° | 0.2° |
