RY2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | sing | 1.29Å | 1.30Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.35Å | Aromatic |
| N1 | N | sing | 1.29Å | 1.36Å | Aromatic |
| N3 | C5 | sing | 1.34Å | 1.34Å | Aromatic |
| N | C5 | doub | 1.32Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C | B | sing | 1.57Å | 1.61Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| B | O2 | sing | 1.42Å | 1.11Å | |
| B | O1 | sing | 1.42Å | 1.11Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N2 | N3 | 106.0° | 108.9° |
| N2 | N1 | N | 110.6° | 109.4° |
| N2 | N1 | H2 | 124.7° | 125.3° |
| N2 | N3 | C5 | 109.3° | 107.3° |
| N1 | N | C5 | 106.3° | 107.8° |
| N | N1 | H2 | 124.7° | 125.3° |
| N3 | C5 | N | 107.7° | 106.7° |
| N3 | C5 | C4 | 126.1° | 126.7° |
| N | C5 | C4 | 125.7° | 126.7° |
| C5 | C4 | C3 | 121.3° | 120.0° |
| C5 | C4 | C6 | 119.8° | 120.1° |
| C3 | C4 | C6 | 118.5° | 119.9° |
| C4 | C3 | C2 | 120.4° | 120.1° |
| C4 | C3 | H4 | 119.8° | 120.0° |
| C4 | C6 | C | 122.7° | 119.8° |
| C4 | C6 | H5 | 118.6° | 120.1° |
| C3 | C2 | C1 | 120.2° | 120.2° |
| C3 | C2 | H3 | 119.9° | 119.8° |
| C2 | C3 | H4 | 119.8° | 119.9° |
| C6 | C | C1 | 116.1° | 119.9° |
| C6 | C | B | 121.6° | 120.0° |
| C | C6 | H5 | 118.7° | 120.1° |
| C2 | C1 | C | 122.0° | 120.1° |
| C2 | C1 | H1 | 119.0° | 119.9° |
| C1 | C2 | H3 | 119.9° | 119.9° |
| C1 | C | B | 122.2° | 120.1° |
| C | C1 | H1 | 119.0° | 119.9° |
| C | B | O2 | 120.0° | 120.1° |
| C | B | O1 | 120.0° | 120.0° |
| O2 | B | O1 | 120.0° | 120.0° |
| B | O2 | H6 | 109.5° | 114.0° |
| B | O1 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N1 | N | H2 | 180.0° | 179.7° |
| N1 | N2 | N3 | C5 | 2.6° | 0.1° |
| N2 | N1 | N | C5 | 0.5° | 0.0° |
| N3 | N2 | N1 | N | 1.3° | 0.1° |
| N2 | N3 | C5 | N | 3.0° | 0.0° |
| N2 | N3 | C5 | C4 | 175.3° | 180.0° |
| N3 | N2 | N1 | H2 | 178.8° | 179.7° |
| N1 | N | C5 | N3 | 2.1° | 0.0° |
| N1 | N | C5 | C4 | 174.5° | 179.9° |
| N3 | C5 | N | C4 | 172.4° | 179.9° |
| N3 | C5 | C4 | C3 | 22.8° | 180.0° |
| N3 | C5 | C4 | C6 | 149.2° | 0.1° |
| N | C5 | C4 | C3 | 148.2° | 0.0° |
| N | C5 | C4 | C6 | 39.8° | 180.0° |
| C5 | N | N1 | H2 | 179.4° | 179.7° |
| C5 | C4 | C3 | C6 | 172.1° | 179.9° |
| C5 | C4 | C3 | C2 | 175.0° | 180.0° |
| C5 | C4 | C6 | C | 172.4° | 179.7° |
| C5 | C4 | C3 | H4 | 5.0° | 0.1° |
| C5 | C4 | C6 | H5 | 7.7° | 0.1° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C6 | C | 0.2° | 0.2° |
| C4 | C3 | C2 | C1 | 2.5° | 0.0° |
| C4 | C3 | C2 | H3 | 177.5° | 180.0° |
| C3 | C4 | C6 | H5 | 179.9° | 180.0° |
| C6 | C4 | C3 | C2 | 3.0° | 0.0° |
| C4 | C6 | C | H5 | 180.0° | 179.8° |
| C4 | C6 | C | C1 | 3.0° | 0.5° |
| C4 | C6 | C | B | 173.0° | 180.0° |
| C6 | C4 | C3 | H4 | 177.1° | 180.0° |
| C3 | C2 | C1 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.9° | 0.2° |
| C3 | C2 | C1 | H1 | 179.1° | 180.0° |
| C6 | C | C1 | C2 | 3.5° | 0.5° |
| C6 | C | C1 | B | 175.9° | 179.5° |
| C6 | C | C1 | H1 | 176.5° | 179.7° |
| C6 | C | B | O2 | 4.3° | 0.0° |
| C6 | C | B | O1 | 175.7° | 180.0° |
| C2 | C1 | C | H1 | 180.0° | 179.8° |
| C2 | C1 | C | B | 172.4° | 180.0° |
| C1 | C2 | C3 | H4 | 177.6° | 180.0° |
| C | C1 | C2 | H3 | 179.1° | 179.8° |
| C1 | C | C6 | H5 | 177.0° | 179.7° |
| C1 | C | B | O2 | 180.0° | 179.5° |
| C1 | C | B | O1 | 0.0° | 0.5° |
| B | C | C1 | H1 | 7.6° | 0.2° |
| B | C | C6 | H5 | 7.0° | 0.2° |
| C | B | O2 | O1 | 180.0° | 180.0° |
| C | B | O2 | H6 | 180.0° | 0.0° |
| C | B | O1 | H7 | 180.0° | 180.0° |
| H1 | C1 | C2 | H3 | 0.9° | 0.0° |
| H3 | C2 | C3 | H4 | 2.4° | 0.0° |
| O2 | B | O1 | H7 | 0.0° | 0.0° |
| O1 | B | O2 | H6 | 0.0° | 179.9° |
