X6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| O | C7 | doub | 1.22Å | 1.27Å | |
| C | N | sing | 1.46Å | 1.46Å | |
| C6 | C7 | sing | 1.48Å | 1.50Å | |
| C6 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.47Å | |
| C7 | O1 | sing | 1.35Å | 1.25Å | |
| N | C1 | sing | 1.37Å | 1.40Å | Aromatic |
| N | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C1 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 120.1° | 120.3° |
| C4 | C5 | C6 | 120.3° | 120.1° |
| C5 | C4 | H4 | 120.0° | 119.8° |
| C4 | C5 | H5 | 119.9° | 119.9° |
| C4 | C3 | C2 | 120.2° | 120.2° |
| C4 | C3 | H3 | 119.9° | 119.9° |
| C3 | C4 | H4 | 119.9° | 119.9° |
| C5 | C6 | C7 | 121.3° | 120.1° |
| C5 | C6 | C8 | 119.5° | 119.8° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C3 | C2 | C8 | 119.5° | 119.8° |
| C3 | C2 | C1 | 123.1° | 120.1° |
| C2 | C3 | H3 | 119.9° | 119.9° |
| O | C7 | C6 | 118.9° | 120.0° |
| O | C7 | O1 | 125.2° | 120.0° |
| C | N | C1 | 127.4° | 125.7° |
| C | N | C11 | 124.1° | 125.7° |
| N | C | H | 109.5° | 109.6° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H2 | 109.5° | 109.5° |
| C7 | C6 | C8 | 119.2° | 120.1° |
| C6 | C7 | O1 | 115.9° | 120.0° |
| C6 | C8 | C2 | 120.5° | 119.8° |
| C6 | C8 | H6 | 119.7° | 120.1° |
| C8 | C2 | C1 | 117.4° | 120.1° |
| C2 | C8 | H6 | 119.8° | 120.1° |
| C2 | C1 | N | 124.7° | 126.1° |
| C2 | C1 | C9 | 128.1° | 126.1° |
| C7 | O1 | H10 | 109.5° | 117.0° |
| C1 | N | C11 | 108.5° | 108.6° |
| N | C1 | C9 | 107.1° | 107.9° |
| N | C11 | C10 | 108.9° | 108.5° |
| N | C11 | H9 | 125.6° | 125.7° |
| C1 | C9 | C10 | 108.0° | 107.3° |
| C1 | C9 | H7 | 126.0° | 126.3° |
| C11 | C10 | C9 | 107.5° | 107.7° |
| C11 | C10 | H8 | 126.2° | 126.2° |
| C10 | C11 | H9 | 125.5° | 125.8° |
| C9 | C10 | H8 | 126.3° | 126.1° |
| C10 | C9 | H7 | 126.0° | 126.3° |
| H | C | H1 | 109.4° | 109.5° |
| H | C | H2 | 109.5° | 109.4° |
| H1 | C | H2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C6 | C7 | 175.8° | 180.0° |
| C4 | C5 | C6 | C8 | 0.9° | 0.1° |
| C5 | C4 | C3 | H3 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C8 | 0.4° | 0.1° |
| C4 | C3 | C2 | C1 | 179.7° | 179.7° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C5 | C6 | C7 | O | 21.3° | 179.9° |
| C5 | C6 | C7 | C8 | 176.7° | 180.0° |
| C5 | C6 | C8 | C2 | 1.0° | 0.0° |
| C5 | C6 | C7 | O1 | 158.9° | 0.0° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C6 | C8 | H6 | 178.9° | 179.6° |
| C3 | C2 | C8 | C6 | 0.4° | 0.0° |
| C3 | C2 | C8 | C1 | 179.9° | 179.8° |
| C3 | C2 | C1 | N | 89.6° | 159.1° |
| C3 | C2 | C1 | C9 | 95.5° | 20.8° |
| C2 | C3 | C4 | H4 | 179.5° | 179.9° |
| C3 | C2 | C8 | H6 | 179.6° | 179.7° |
| O | C7 | C6 | O1 | 179.8° | 180.0° |
| O | C7 | C6 | C8 | 161.9° | 0.0° |
| O | C7 | O1 | H10 | 0.0° | 0.0° |
| C | N | C1 | C2 | 4.1° | 0.2° |
| C | N | C1 | C11 | 179.6° | 179.8° |
| C | N | C1 | C9 | 179.9° | 179.8° |
| C | N | C11 | C10 | 179.9° | 179.8° |
| N | C | H | H1 | 120.0° | 120.0° |
| N | C | H | H2 | 120.0° | 120.1° |
| N | C | H1 | H2 | 120.0° | 120.0° |
| C | N | C11 | H9 | 0.1° | 0.2° |
| C7 | C6 | C8 | C2 | 175.7° | 180.0° |
| C7 | C6 | C5 | H5 | 4.2° | 0.1° |
| C7 | C6 | C8 | H6 | 4.3° | 0.3° |
| C6 | C7 | O1 | H10 | 179.8° | 180.0° |
| C6 | C8 | C2 | H6 | 180.0° | 179.7° |
| C6 | C8 | C2 | C1 | 179.5° | 179.8° |
| C8 | C6 | C7 | O1 | 17.8° | 180.0° |
| C8 | C6 | C5 | H5 | 179.1° | 179.9° |
| C8 | C2 | C1 | N | 90.5° | 21.1° |
| C8 | C2 | C1 | C9 | 84.4° | 159.0° |
| C8 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | N | C9 | 175.8° | 180.0° |
| C2 | C1 | N | C11 | 175.5° | 180.0° |
| C2 | C1 | C9 | C10 | 175.4° | 180.0° |
| C1 | C2 | C3 | H3 | 0.3° | 0.2° |
| C1 | C2 | C8 | H6 | 0.5° | 0.1° |
| C2 | C1 | C9 | H7 | 4.6° | 0.0° |
| C1 | N | C11 | C10 | 0.3° | 0.0° |
| N | C1 | C9 | C10 | 0.2° | 0.0° |
| C1 | N | C | H | 180.0° | 84.2° |
| C1 | N | C | H1 | 60.0° | 155.8° |
| C1 | N | C | H2 | 60.0° | 35.8° |
| C1 | N | C11 | H9 | 179.7° | 180.0° |
| N | C1 | C9 | H7 | 179.8° | 180.0° |
| C11 | N | C1 | C9 | 0.3° | 0.0° |
| N | C11 | C10 | H9 | 180.0° | 179.9° |
| N | C11 | C10 | C9 | 0.2° | 0.0° |
| C11 | N | C | H | 0.4° | 96.0° |
| C11 | N | C | H1 | 119.6° | 24.0° |
| C11 | N | C | H2 | 120.4° | 144.0° |
| N | C11 | C10 | H8 | 179.8° | 180.0° |
| C1 | C9 | C10 | C11 | 0.0° | 0.0° |
| C1 | C9 | C10 | H7 | 180.0° | 180.0° |
| C1 | C9 | C10 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | H8 | 180.0° | 179.9° |
| C11 | C10 | C9 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | H9 | 179.8° | 180.0° |
| H | C | H1 | H2 | 120.0° | 119.9° |
| H8 | C10 | C11 | H9 | 0.2° | 0.1° |
| H8 | C10 | C9 | H7 | 0.0° | 0.1° |
| H3 | C3 | C4 | H4 | 0.5° | 0.1° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
