YER
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | sing | 1.35Å | 1.34Å | |
| C | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C5 | sing | 1.40Å | 1.42Å | |
| C6 | N | sing | 1.39Å | 1.36Å | |
| C6 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | O1 | 123.7° | 120.0° |
| O | C | C1 | 114.2° | 120.0° |
| C | O | H | 109.5° | 117.1° |
| O1 | C | C1 | 122.0° | 120.0° |
| C | C1 | C2 | 120.3° | 120.1° |
| C | C1 | C10 | 120.2° | 120.1° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C2 | C1 | C10 | 119.2° | 119.8° |
| C1 | C2 | H1 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.2° |
| C2 | C3 | H2 | 119.8° | 119.9° |
| C3 | C2 | H1 | 119.8° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.3° |
| C3 | C4 | H3 | 120.1° | 119.9° |
| C4 | C3 | H2 | 119.8° | 119.9° |
| C4 | C5 | N | 121.5° | 120.0° |
| C4 | C5 | C10 | 119.8° | 120.0° |
| C5 | C4 | H3 | 120.1° | 119.9° |
| C5 | N | C6 | 132.3° | 120.0° |
| N | C5 | C10 | 118.6° | 119.9° |
| C5 | N | H4 | 113.8° | 120.0° |
| N | C6 | N1 | 117.1° | 119.2° |
| N | C6 | N2 | 115.9° | 119.2° |
| C6 | N | H4 | 113.8° | 119.9° |
| C6 | N1 | C7 | 115.5° | 120.7° |
| N1 | C6 | N2 | 126.4° | 121.6° |
| N1 | C7 | C8 | 123.4° | 119.2° |
| N1 | C7 | H5 | 118.3° | 120.4° |
| C7 | C8 | C9 | 115.7° | 118.6° |
| C8 | C7 | H5 | 118.3° | 120.4° |
| C7 | C8 | H6 | 122.1° | 120.7° |
| C8 | C9 | N2 | 123.5° | 119.2° |
| C9 | C8 | H6 | 122.2° | 120.7° |
| C8 | C9 | H7 | 118.3° | 120.4° |
| C9 | N2 | C6 | 115.5° | 120.7° |
| N2 | C9 | H7 | 118.3° | 120.4° |
| C5 | C10 | C1 | 120.2° | 119.8° |
| C5 | C10 | H8 | 119.9° | 120.2° |
| C1 | C10 | H8 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | O1 | C1 | 179.5° | 180.0° |
| O | C | C1 | C2 | 32.7° | 0.1° |
| O | C | C1 | C10 | 141.6° | 180.0° |
| O1 | C | C1 | C2 | 147.8° | 180.0° |
| O1 | C | C1 | C10 | 37.9° | 0.0° |
| O1 | C | O | H | 0.0° | 0.1° |
| C | C1 | C2 | C10 | 174.4° | 180.0° |
| C | C1 | C2 | C3 | 172.4° | 179.7° |
| C | C1 | C10 | C5 | 175.3° | 180.0° |
| C | C1 | C10 | H8 | 4.7° | 0.0° |
| C1 | C | O | H | 179.5° | 180.0° |
| C | C1 | C2 | H1 | 7.6° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 2.0° | 0.5° |
| C2 | C1 | C10 | C5 | 0.9° | 0.0° |
| C2 | C1 | C10 | H8 | 179.1° | 180.0° |
| C1 | C2 | C3 | H2 | 178.0° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.9° | 0.4° |
| C3 | C2 | C1 | C10 | 2.0° | 0.2° |
| C2 | C3 | C4 | H3 | 179.1° | 179.7° |
| C3 | C4 | C5 | H3 | 180.0° | 179.8° |
| C3 | C4 | C5 | N | 173.4° | 179.8° |
| C3 | C4 | C5 | C10 | 3.7° | 0.2° |
| C4 | C3 | C2 | H1 | 178.0° | 179.7° |
| C4 | C5 | N | C10 | 177.2° | 180.0° |
| C4 | C5 | N | C6 | 1.3° | 146.5° |
| C4 | C5 | C10 | C1 | 3.7° | 0.0° |
| C4 | C5 | C10 | H8 | 176.3° | 180.0° |
| C5 | C4 | C3 | H2 | 179.2° | 180.0° |
| C4 | C5 | N | H4 | 178.7° | 33.4° |
| C5 | N | C6 | H4 | 180.0° | 179.9° |
| C5 | N | C6 | N1 | 11.5° | 174.4° |
| C5 | N | C6 | N2 | 177.2° | 5.5° |
| N | C5 | C10 | C1 | 173.5° | 180.0° |
| N | C5 | C4 | H3 | 6.5° | 0.0° |
| N | C5 | C10 | H8 | 6.5° | 0.0° |
| N | C6 | N1 | N2 | 170.3° | 180.0° |
| N | C6 | N1 | C7 | 167.8° | 180.0° |
| N | C6 | N2 | C9 | 168.1° | 180.0° |
| C6 | N | C5 | C10 | 175.9° | 33.5° |
| C6 | N1 | C7 | C8 | 0.8° | 0.0° |
| N1 | C6 | N2 | C9 | 2.3° | 0.0° |
| C6 | N1 | C7 | H5 | 179.2° | 180.0° |
| N1 | C6 | N | H4 | 168.5° | 5.6° |
| N1 | C7 | C8 | H5 | 180.0° | 180.0° |
| N1 | C7 | C8 | C9 | 0.6° | 0.0° |
| C7 | N1 | C6 | N2 | 2.4° | 0.0° |
| N1 | C7 | C8 | H6 | 179.4° | 179.9° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | N2 | 0.8° | 0.1° |
| C7 | C8 | C9 | H7 | 179.2° | 180.0° |
| C8 | C9 | N2 | H7 | 180.0° | 180.0° |
| C8 | C9 | N2 | C6 | 0.5° | 0.1° |
| C9 | C8 | C7 | H5 | 179.4° | 179.9° |
| N2 | C9 | C8 | H6 | 179.2° | 180.0° |
| N2 | C6 | N | H4 | 2.8° | 174.4° |
| C6 | N2 | C9 | H7 | 179.5° | 180.0° |
| C5 | C10 | C1 | H8 | 180.0° | 180.0° |
| C10 | C5 | C4 | H3 | 176.3° | 180.0° |
| C10 | C5 | N | H4 | 4.1° | 146.6° |
| C10 | C1 | C2 | H1 | 178.0° | 180.0° |
| H3 | C4 | C3 | H2 | 0.8° | 0.2° |
| H5 | C7 | C8 | H6 | 0.6° | 0.0° |
| H6 | C8 | C9 | H7 | 0.8° | 0.1° |
| H2 | C3 | C2 | H1 | 2.0° | 0.2° |






