53Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C | doub | 1.36Å | 1.35Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.45Å | Aromatic |
| C | N | sing | 1.36Å | 1.38Å | Aromatic |
| C08 | N | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.46Å | 1.44Å | |
| O | C07 | doub | 1.22Å | 1.41Å | |
| N | C05 | sing | 1.40Å | 1.48Å | |
| C07 | N01 | sing | 1.35Å | 1.40Å | |
| C05 | C06 | sing | 1.39Å | 1.48Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| N01 | C04 | sing | 1.40Å | 1.49Å | |
| C06 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.51Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.42Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | H07 | sing | 1.08Å | 1.08Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C06 | H04 | sing | 1.08Å | 1.08Å | |
| N01 | H05 | sing | 0.97Å | 1.00Å | |
| C09 | H06 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C | 97.3° | 107.9° |
| C10 | C09 | C08 | 117.1° | 107.1° |
| C09 | C10 | H07 | 131.3° | 126.0° |
| C10 | C09 | H06 | 121.5° | 126.5° |
| C10 | C | N | 117.5° | 109.0° |
| C | C10 | H07 | 131.3° | 126.1° |
| C10 | C | H | 121.3° | 125.5° |
| C09 | C08 | N | 99.9° | 107.7° |
| C09 | C08 | C07 | 138.9° | 132.8° |
| C08 | C09 | H06 | 121.4° | 126.4° |
| C | N | C08 | 108.2° | 108.4° |
| C | N | C05 | 131.1° | 132.2° |
| N | C | H | 121.3° | 125.5° |
| N | C08 | C07 | 121.1° | 119.6° |
| C08 | N | C05 | 120.8° | 119.4° |
| C08 | C07 | O | 121.1° | 120.2° |
| C08 | C07 | N01 | 118.6° | 119.6° |
| O | C07 | N01 | 120.2° | 120.2° |
| N | C05 | C06 | 121.4° | 119.8° |
| N | C05 | C04 | 119.7° | 120.3° |
| C07 | N01 | C04 | 121.3° | 120.5° |
| C07 | N01 | H05 | 119.3° | 119.7° |
| C06 | C05 | C04 | 118.9° | 119.9° |
| C05 | C06 | C01 | 121.6° | 120.0° |
| C05 | C06 | H04 | 119.2° | 120.0° |
| C05 | C04 | N01 | 118.4° | 120.6° |
| C05 | C04 | C03 | 119.7° | 119.7° |
| N01 | C04 | C03 | 121.9° | 119.7° |
| C04 | N01 | H05 | 119.3° | 119.7° |
| C06 | C01 | C02 | 120.7° | 120.2° |
| C06 | C01 | H01 | 119.6° | 119.9° |
| C01 | C06 | H04 | 119.3° | 120.0° |
| C04 | C03 | C02 | 119.6° | 120.0° |
| C04 | C03 | H03 | 120.2° | 120.0° |
| C01 | C02 | C03 | 119.4° | 120.3° |
| C02 | C01 | H01 | 119.6° | 119.9° |
| C01 | C02 | H02 | 120.3° | 119.9° |
| C03 | C02 | H02 | 120.3° | 119.9° |
| C02 | C03 | H03 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C | H07 | 180.0° | 179.7° |
| C10 | C09 | C08 | H06 | 180.0° | 179.9° |
| C09 | C10 | C | N | 0.4° | 0.0° |
| C10 | C09 | C08 | N | 1.1° | 0.0° |
| C10 | C09 | C08 | C07 | 177.7° | 180.0° |
| C09 | C10 | C | H | 179.5° | 180.0° |
| C | C10 | C09 | C08 | 1.0° | 0.0° |
| C10 | C | N | H | 180.0° | 180.0° |
| C10 | C | N | C08 | 0.2° | 0.0° |
| C10 | C | N | C05 | 179.7° | 180.0° |
| C | C10 | C09 | H06 | 179.0° | 179.9° |
| C09 | C08 | N | C | 0.7° | 0.0° |
| C09 | C08 | N | C07 | 179.1° | 180.0° |
| C09 | C08 | C07 | O | 2.9° | 0.0° |
| C09 | C08 | N | C05 | 179.7° | 180.0° |
| C09 | C08 | C07 | N01 | 178.3° | 180.0° |
| C08 | C09 | C10 | H07 | 179.0° | 179.7° |
| C | N | C08 | C05 | 179.6° | 180.0° |
| C | N | C08 | C07 | 178.4° | 180.0° |
| C | N | C05 | C06 | 0.5° | 0.0° |
| C | N | C05 | C04 | 179.8° | 180.0° |
| N | C | C10 | H07 | 179.6° | 179.7° |
| N | C08 | C07 | O | 178.5° | 180.0° |
| N | C08 | C07 | N01 | 3.1° | 0.0° |
| C08 | N | C05 | C06 | 178.9° | 180.0° |
| C08 | N | C05 | C04 | 0.8° | 0.0° |
| N | C08 | C09 | H06 | 178.9° | 179.9° |
| C08 | N | C | H | 179.8° | 180.0° |
| C08 | C07 | O | N01 | 175.3° | 180.0° |
| C07 | C08 | N | C05 | 1.2° | 0.0° |
| C08 | C07 | N01 | C04 | 3.1° | 0.1° |
| C08 | C07 | N01 | H05 | 176.9° | 179.9° |
| C07 | C08 | C09 | H06 | 2.3° | 0.1° |
| O | C07 | N01 | C04 | 178.5° | 180.0° |
| O | C07 | N01 | H05 | 1.5° | 0.1° |
| N | C05 | C06 | C04 | 179.7° | 180.0° |
| N | C05 | C04 | N01 | 0.8° | 0.0° |
| N | C05 | C06 | C01 | 178.8° | 180.0° |
| N | C05 | C04 | C03 | 178.4° | 180.0° |
| N | C05 | C06 | H04 | 1.2° | 0.1° |
| C05 | N | C | H | 0.3° | 0.0° |
| C07 | N01 | C04 | C05 | 1.2° | 0.1° |
| C07 | N01 | C04 | H05 | 180.0° | 179.8° |
| C07 | N01 | C04 | C03 | 179.6° | 179.9° |
| C06 | C05 | C04 | N01 | 178.9° | 180.0° |
| C05 | C06 | C01 | H04 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 1.9° | 0.0° |
| C05 | C06 | C01 | C02 | 2.2° | 0.0° |
| C05 | C06 | C01 | H01 | 177.8° | 179.9° |
| C05 | C04 | N01 | C03 | 179.2° | 180.0° |
| C04 | C05 | C06 | C01 | 1.4° | 0.0° |
| C05 | C04 | C03 | C02 | 3.1° | 0.1° |
| C05 | C04 | C03 | H03 | 176.9° | 179.9° |
| C04 | C05 | C06 | H04 | 178.6° | 179.9° |
| C05 | C04 | N01 | H05 | 178.8° | 179.9° |
| N01 | C04 | C03 | C02 | 177.7° | 179.9° |
| N01 | C04 | C03 | H03 | 2.3° | 0.1° |
| C06 | C01 | C02 | H01 | 180.0° | 179.9° |
| C06 | C01 | C02 | C03 | 3.4° | 0.0° |
| C06 | C01 | C02 | H02 | 176.6° | 180.0° |
| C04 | C03 | C02 | C01 | 3.9° | 0.1° |
| C04 | C03 | C02 | H03 | 180.0° | 180.0° |
| C04 | C03 | C02 | H02 | 176.1° | 180.0° |
| C03 | C04 | N01 | H05 | 0.3° | 0.1° |
| C01 | C02 | C03 | H02 | 180.0° | 180.0° |
| C01 | C02 | C03 | H03 | 176.1° | 179.9° |
| C02 | C01 | C06 | H04 | 177.8° | 179.9° |
| C03 | C02 | C01 | H01 | 176.6° | 180.0° |
| H07 | C10 | C09 | H06 | 1.0° | 0.2° |
| H07 | C10 | C | H | 0.4° | 0.3° |
| H01 | C01 | C02 | H02 | 3.4° | 0.1° |
| H01 | C01 | C06 | H04 | 2.2° | 0.0° |
| H02 | C02 | C03 | H03 | 3.9° | 0.0° |
