9Y3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.41Å | 1.47Å | |
| C8 | C7 | doub | 1.35Å | 1.36Å | |
| C9 | O10 | doub | 1.21Å | 1.14Å | |
| C7 | C5 | sing | 1.47Å | 1.43Å | |
| C6 | C5 | doub | 1.40Å | 1.33Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.32Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.33Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.31Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.30Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 123.3° | 120.0° |
| C8 | C9 | O10 | 137.7° | 120.0° |
| C9 | C8 | H7 | 118.3° | 120.0° |
| C8 | C9 | H8 | 111.2° | 120.0° |
| C8 | C7 | C5 | 117.2° | 120.0° |
| C8 | C7 | H6 | 121.4° | 120.0° |
| C7 | C8 | H7 | 118.4° | 120.0° |
| O10 | C9 | H8 | 111.2° | 120.0° |
| C7 | C5 | C6 | 124.1° | 120.2° |
| C7 | C5 | C4 | 113.9° | 120.2° |
| C5 | C7 | H6 | 121.4° | 120.0° |
| C5 | C6 | C1 | 112.9° | 119.9° |
| C6 | C5 | C4 | 120.5° | 119.6° |
| C5 | C6 | H5 | 123.5° | 120.1° |
| C6 | C1 | C2 | 126.8° | 120.2° |
| C6 | C1 | H1 | 116.6° | 119.9° |
| C1 | C6 | H5 | 123.5° | 120.1° |
| C5 | C4 | C3 | 123.5° | 119.8° |
| C5 | C4 | H4 | 118.3° | 120.0° |
| C1 | C2 | C3 | 116.2° | 120.3° |
| C2 | C1 | H1 | 116.6° | 119.9° |
| C1 | C2 | H2 | 121.9° | 119.8° |
| C4 | C3 | C2 | 119.4° | 120.2° |
| C4 | C3 | H3 | 120.3° | 119.9° |
| C3 | C4 | H4 | 118.2° | 120.1° |
| C3 | C2 | H2 | 121.9° | 119.9° |
| C2 | C3 | H3 | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C8 | C9 | O10 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C5 | 3.2° | 7.9° |
| C9 | C8 | C7 | H6 | 176.8° | 171.9° |
| C7 | C8 | C9 | O10 | 133.5° | 174.4° |
| C8 | C7 | C5 | H6 | 180.0° | 179.9° |
| C8 | C7 | C5 | C6 | 107.1° | 35.4° |
| C8 | C7 | C5 | C4 | 58.8° | 144.9° |
| C7 | C8 | C9 | H8 | 46.5° | 5.6° |
| O10 | C9 | C8 | H7 | 46.5° | 5.5° |
| C7 | C5 | C6 | C4 | 165.0° | 179.7° |
| C7 | C5 | C6 | C1 | 172.4° | 179.7° |
| C7 | C5 | C4 | C3 | 168.4° | 180.0° |
| C7 | C5 | C4 | H4 | 11.6° | 0.0° |
| C7 | C5 | C6 | H5 | 7.6° | 0.3° |
| C5 | C7 | C8 | H7 | 176.8° | 172.0° |
| C5 | C6 | C1 | H5 | 180.0° | 179.4° |
| C5 | C6 | C1 | C2 | 9.6° | 0.6° |
| C6 | C5 | C4 | C3 | 2.0° | 0.3° |
| C5 | C6 | C1 | H1 | 170.4° | 179.7° |
| C6 | C5 | C4 | H4 | 178.0° | 179.7° |
| C6 | C5 | C7 | H6 | 72.9° | 144.7° |
| C1 | C6 | C5 | C4 | 7.5° | 0.6° |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 5.5° | 0.3° |
| C6 | C1 | C2 | H2 | 174.5° | 179.8° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.7° | 0.0° |
| C5 | C4 | C3 | H3 | 177.3° | 180.0° |
| C4 | C5 | C6 | H5 | 172.6° | 180.0° |
| C4 | C5 | C7 | H6 | 121.2° | 35.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 178.9° | 180.0° |
| C2 | C1 | C6 | H5 | 170.4° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 178.9° | 179.9° |
| C3 | C2 | C1 | H1 | 174.5° | 180.0° |
| C2 | C3 | C4 | H4 | 177.3° | 180.0° |
| H1 | C1 | C2 | H2 | 5.5° | 0.0° |
| H1 | C1 | C6 | H5 | 9.6° | 0.3° |
| H2 | C2 | C3 | H3 | 1.1° | 0.1° |
| H3 | C3 | C4 | H4 | 2.7° | 0.0° |
| H6 | C7 | C8 | H7 | 3.2° | 8.2° |
| H7 | C8 | C9 | H8 | 133.5° | 174.5° |
