P9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| O | C2 | doub | 1.21Å | 1.22Å | |
| C1 | C6 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.52Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.46Å | |
| C6 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.45Å | |
| O1 | C4 | sing | 1.35Å | 1.36Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.36Å | |
| C4 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | O3 | doub | 1.21Å | 1.31Å | |
| C5 | O2 | sing | 1.35Å | 1.22Å | |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C6 | 113.4° | 110.4° |
| C | C1 | C2 | 112.0° | 110.4° |
| C | C1 | O1 | 107.4° | 110.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.4° | 109.5° |
| C8 | C7 | C6 | 120.6° | 120.0° |
| C7 | C8 | C9 | 120.3° | 120.0° |
| C8 | C7 | H8 | 119.7° | 120.0° |
| C7 | C8 | H9 | 119.8° | 120.0° |
| C7 | C6 | C1 | 120.8° | 120.0° |
| C7 | C6 | C11 | 118.6° | 120.0° |
| C6 | C7 | H8 | 119.7° | 120.0° |
| C8 | C9 | C10 | 119.6° | 120.0° |
| C8 | C9 | H1 | 120.2° | 120.0° |
| C9 | C8 | H9 | 119.9° | 120.0° |
| O | C2 | C1 | 125.9° | 127.5° |
| O | C2 | C3 | 128.7° | 127.7° |
| C6 | C1 | C2 | 109.9° | 110.4° |
| C6 | C1 | O1 | 109.1° | 110.4° |
| C1 | C6 | C11 | 120.6° | 120.0° |
| C2 | C1 | O1 | 104.7° | 104.6° |
| C1 | C2 | C3 | 105.4° | 104.8° |
| C1 | O1 | C4 | 107.4° | 108.7° |
| C6 | C11 | C10 | 120.6° | 120.0° |
| C6 | C11 | H6 | 119.7° | 120.0° |
| C9 | C10 | C11 | 120.3° | 120.0° |
| C10 | C9 | H1 | 120.2° | 120.0° |
| C9 | C10 | H2 | 119.8° | 120.0° |
| C2 | C3 | C4 | 107.7° | 109.3° |
| C2 | C3 | H7 | 126.1° | 125.3° |
| O1 | C4 | C3 | 114.8° | 112.5° |
| O1 | C4 | C5 | 112.8° | 123.7° |
| C11 | C10 | H2 | 119.8° | 120.0° |
| C10 | C11 | H6 | 119.7° | 120.0° |
| C3 | C4 | C5 | 132.3° | 123.8° |
| C4 | C3 | H7 | 126.1° | 125.3° |
| C4 | C5 | O3 | 114.6° | 120.1° |
| C4 | C5 | O2 | 121.4° | 119.9° |
| O3 | C5 | O2 | 123.9° | 120.0° |
| C5 | O2 | H10 | 109.5° | 117.0° |
| H3 | C | H4 | 109.4° | 109.5° |
| H3 | C | H5 | 109.5° | 109.4° |
| H4 | C | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C6 | C7 | 37.8° | 92.6° |
| C | C1 | C2 | O | 62.1° | 61.2° |
| C | C1 | C6 | C2 | 126.2° | 122.4° |
| C | C1 | C6 | O1 | 119.6° | 122.4° |
| C | C1 | C2 | O1 | 116.0° | 118.8° |
| C | C1 | C6 | C11 | 141.5° | 87.7° |
| C | C1 | C2 | C3 | 117.0° | 118.9° |
| C | C1 | O1 | C4 | 120.2° | 118.8° |
| C1 | C | H3 | H4 | 120.0° | 120.1° |
| C1 | C | H3 | H5 | 120.0° | 119.9° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C8 | C7 | C6 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C8 | C7 | C6 | C1 | 179.1° | 180.0° |
| C8 | C7 | C6 | C11 | 0.2° | 0.3° |
| C7 | C8 | C9 | C10 | 0.1° | 0.3° |
| C7 | C8 | C9 | H1 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C6 | C1 | C11 | 179.3° | 179.7° |
| C7 | C6 | C1 | C2 | 88.4° | 29.7° |
| C7 | C6 | C1 | O1 | 157.3° | 144.9° |
| C7 | C6 | C11 | C10 | 0.3° | 0.3° |
| C7 | C6 | C11 | H6 | 179.8° | 179.8° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H1 | 180.0° | 179.6° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C8 | C9 | C10 | H2 | 179.9° | 179.7° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| O | C2 | C1 | C6 | 64.9° | 61.2° |
| O | C2 | C1 | C3 | 179.1° | 180.0° |
| O | C2 | C1 | O1 | 178.1° | 180.0° |
| O | C2 | C3 | C4 | 178.5° | 179.9° |
| O | C2 | C3 | H7 | 1.5° | 0.0° |
| C6 | C1 | C2 | O1 | 117.0° | 118.8° |
| C6 | C1 | C2 | C3 | 116.1° | 118.8° |
| C6 | C1 | O1 | C4 | 116.6° | 118.8° |
| C1 | C6 | C11 | C10 | 179.0° | 180.0° |
| C6 | C1 | C | H3 | 180.0° | 60.0° |
| C6 | C1 | C | H4 | 60.0° | 180.0° |
| C6 | C1 | C | H5 | 60.0° | 59.9° |
| C1 | C6 | C11 | H6 | 1.0° | 0.1° |
| C1 | C6 | C7 | H8 | 0.9° | 0.0° |
| C2 | C1 | C6 | C11 | 92.3° | 150.0° |
| C2 | C1 | O1 | C4 | 1.0° | 0.0° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C | H3 | 54.9° | 62.4° |
| C2 | C1 | C | H4 | 174.9° | 57.6° |
| C2 | C1 | C | H5 | 65.1° | 177.7° |
| C1 | C2 | C3 | H7 | 179.5° | 180.0° |
| O1 | C1 | C6 | C11 | 21.9° | 34.8° |
| O1 | C1 | C2 | C3 | 0.9° | 0.0° |
| C1 | O1 | C4 | C3 | 0.7° | 0.1° |
| C1 | O1 | C4 | C5 | 179.7° | 180.0° |
| O1 | C1 | C | H3 | 59.5° | 177.6° |
| O1 | C1 | C | H4 | 60.5° | 57.6° |
| O1 | C1 | C | H5 | 179.5° | 62.5° |
| C6 | C11 | C10 | C9 | 0.1° | 0.0° |
| C6 | C11 | C10 | H6 | 180.0° | 179.9° |
| C6 | C11 | C10 | H2 | 179.9° | 180.0° |
| C11 | C6 | C7 | H8 | 179.8° | 179.7° |
| C9 | C10 | C11 | H2 | 180.0° | 180.0° |
| C9 | C10 | C11 | H6 | 179.9° | 179.9° |
| C10 | C9 | C8 | H9 | 179.8° | 179.7° |
| C2 | C3 | C4 | O1 | 0.1° | 0.0° |
| C2 | C3 | C4 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 179.6° | 180.0° |
| O1 | C4 | C3 | C5 | 179.5° | 180.0° |
| O1 | C4 | C5 | O3 | 17.9° | 0.0° |
| O1 | C4 | C5 | O2 | 161.2° | 180.0° |
| O1 | C4 | C3 | H7 | 179.9° | 180.0° |
| C11 | C10 | C9 | H1 | 179.9° | 180.0° |
| C3 | C4 | C5 | O3 | 162.6° | 180.0° |
| C3 | C4 | C5 | O2 | 18.3° | 0.1° |
| C4 | C5 | O3 | O2 | 179.1° | 180.0° |
| C5 | C4 | C3 | H7 | 0.4° | 0.0° |
| C4 | C5 | O2 | H10 | 179.1° | 179.9° |
| O3 | C5 | O2 | H10 | 0.0° | 0.0° |
| H1 | C9 | C10 | H2 | 0.1° | 0.0° |
| H1 | C9 | C8 | H9 | 0.1° | 0.0° |
| H2 | C10 | C11 | H6 | 0.1° | 0.1° |
| H3 | C | H4 | H5 | 120.0° | 120.0° |
| H8 | C7 | C8 | H9 | 0.0° | 0.0° |
