8P1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| C1 | C10 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.47Å | 1.48Å | |
| C10 | C9 | sing | 1.50Å | 1.51Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C8 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | sing | 1.39Å | 1.37Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.8° | 107.4° |
| C2 | C1 | C10 | 109.9° | 109.4° |
| C2 | C1 | H8 | 109.4° | 109.5° |
| C2 | C1 | H9 | 109.3° | 109.5° |
| C1 | C2 | H10 | 109.4° | 109.9° |
| C1 | C2 | H11 | 109.4° | 109.9° |
| C2 | C3 | O1 | 120.1° | 121.2° |
| C2 | C3 | C4 | 119.8° | 117.7° |
| C3 | C2 | H10 | 109.4° | 109.8° |
| C3 | C2 | H11 | 109.4° | 109.9° |
| O1 | C3 | C4 | 120.1° | 121.1° |
| C1 | C10 | C9 | 109.8° | 111.3° |
| C1 | C10 | H6 | 109.4° | 109.2° |
| C1 | C10 | H7 | 109.4° | 109.1° |
| C10 | C1 | H8 | 109.3° | 109.5° |
| C10 | C1 | H9 | 109.4° | 109.4° |
| C3 | C4 | C5 | 120.4° | 119.6° |
| C3 | C4 | C9 | 119.5° | 120.1° |
| C10 | C9 | C4 | 119.9° | 121.6° |
| C10 | C9 | C8 | 120.2° | 119.0° |
| C9 | C10 | H6 | 109.4° | 109.1° |
| C9 | C10 | H7 | 109.4° | 109.1° |
| C5 | C4 | C9 | 120.1° | 120.3° |
| C4 | C5 | C6 | 120.3° | 119.8° |
| C4 | C5 | H3 | 119.9° | 120.1° |
| C4 | C9 | C8 | 119.9° | 119.4° |
| C5 | C6 | C7 | 120.2° | 119.9° |
| C6 | C5 | H3 | 119.9° | 120.1° |
| C5 | C6 | H4 | 119.9° | 120.0° |
| C9 | C8 | C7 | 119.7° | 120.3° |
| C9 | C8 | H5 | 120.2° | 119.9° |
| C6 | C7 | C8 | 119.9° | 120.3° |
| C6 | C7 | N1 | 120.1° | 119.8° |
| C7 | C6 | H4 | 119.9° | 120.1° |
| C8 | C7 | N1 | 120.0° | 119.8° |
| C7 | C8 | H5 | 120.1° | 119.9° |
| C7 | N1 | H1 | 109.5° | 120.0° |
| C7 | N1 | H2 | 109.5° | 120.0° |
| H1 | N1 | H2 | 109.4° | 120.0° |
| H6 | C10 | H7 | 109.5° | 109.1° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.4° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H10 | 120.1° | 119.5° |
| C1 | C2 | C3 | H11 | 120.1° | 119.5° |
| C1 | C2 | C3 | O1 | 153.4° | 137.3° |
| C2 | C1 | C10 | H8 | 120.1° | 120.1° |
| C2 | C1 | C10 | H9 | 120.1° | 119.9° |
| C1 | C2 | C3 | C4 | 26.7° | 42.7° |
| C2 | C1 | C10 | C9 | 61.3° | 54.4° |
| C2 | C1 | C10 | H6 | 178.7° | 174.9° |
| C2 | C1 | C10 | H7 | 58.8° | 66.0° |
| C2 | C1 | H8 | H9 | 119.8° | 120.0° |
| C1 | C2 | H10 | H11 | 119.8° | 121.0° |
| C2 | C3 | O1 | C4 | 180.0° | 180.0° |
| C3 | C2 | C1 | C10 | 58.4° | 63.9° |
| C2 | C3 | C4 | C5 | 177.6° | 168.6° |
| C2 | C3 | C4 | C9 | 2.6° | 11.6° |
| C3 | C2 | C1 | H8 | 61.6° | 176.0° |
| C3 | C2 | C1 | H9 | 178.5° | 56.0° |
| C3 | C2 | H10 | H11 | 119.8° | 121.0° |
| O1 | C3 | C4 | C5 | 2.5° | 11.3° |
| O1 | C3 | C4 | C9 | 177.4° | 168.4° |
| O1 | C3 | C2 | H10 | 86.5° | 103.2° |
| O1 | C3 | C2 | H11 | 33.3° | 17.8° |
| C1 | C10 | C9 | H6 | 120.0° | 120.5° |
| C1 | C10 | C9 | H7 | 120.0° | 120.4° |
| C1 | C10 | C9 | C4 | 31.6° | 22.5° |
| C1 | C10 | C9 | C8 | 148.6° | 157.5° |
| C1 | C10 | H6 | H7 | 119.9° | 119.1° |
| C10 | C1 | H8 | H9 | 119.8° | 120.0° |
| C10 | C1 | C2 | H10 | 61.6° | 55.5° |
| C10 | C1 | C2 | H11 | 178.5° | 176.5° |
| C3 | C4 | C9 | C10 | 0.1° | 0.6° |
| C3 | C4 | C5 | C9 | 179.9° | 179.7° |
| C3 | C4 | C5 | C6 | 179.9° | 179.6° |
| C3 | C4 | C9 | C8 | 179.9° | 179.4° |
| C3 | C4 | C5 | H3 | 0.1° | 0.5° |
| C4 | C3 | C2 | H10 | 93.4° | 76.8° |
| C4 | C3 | C2 | H11 | 146.8° | 162.2° |
| C10 | C9 | C4 | C5 | 179.8° | 179.7° |
| C10 | C9 | C4 | C8 | 179.8° | 180.0° |
| C10 | C9 | C8 | C7 | 179.9° | 179.7° |
| C10 | C9 | C8 | H5 | 0.1° | 0.2° |
| C9 | C10 | H6 | H7 | 119.9° | 119.1° |
| C9 | C10 | C1 | H8 | 58.8° | 174.5° |
| C9 | C10 | C1 | H9 | 178.7° | 65.5° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 0.0° | 0.3° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | H4 | 179.7° | 180.0° |
| C9 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | C9 | C8 | C7 | 0.1° | 0.2° |
| C9 | C4 | C5 | H3 | 179.8° | 179.8° |
| C4 | C9 | C8 | H5 | 179.9° | 179.8° |
| C4 | C9 | C10 | H6 | 151.6° | 143.1° |
| C4 | C9 | C10 | H7 | 88.4° | 97.9° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | N1 | 179.9° | 179.9° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | N1 | 179.9° | 179.9° |
| C8 | C9 | C10 | H6 | 28.6° | 37.0° |
| C8 | C9 | C10 | H7 | 91.3° | 82.1° |
| C6 | C7 | C8 | N1 | 180.0° | 180.0° |
| C6 | C7 | N1 | H1 | 180.0° | 0.0° |
| C6 | C7 | N1 | H2 | 60.0° | 179.7° |
| C7 | C6 | C5 | H3 | 179.7° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C8 | C7 | N1 | H1 | 0.1° | 180.0° |
| C8 | C7 | N1 | H2 | 120.1° | 0.3° |
| C8 | C7 | C6 | H4 | 179.9° | 179.9° |
| C7 | N1 | H1 | H2 | 120.0° | 179.7° |
| N1 | C7 | C6 | H4 | 0.1° | 0.1° |
| N1 | C7 | C8 | H5 | 0.0° | 0.0° |
| H3 | C5 | C6 | H4 | 0.3° | 0.0° |
| H6 | C10 | C1 | H8 | 61.2° | 65.0° |
| H6 | C10 | C1 | H9 | 58.7° | 55.0° |
| H7 | C10 | C1 | H8 | 178.9° | 54.0° |
| H7 | C10 | C1 | H9 | 61.3° | 174.1° |
| H8 | C1 | C2 | H10 | 178.3° | 64.5° |
| H8 | C1 | C2 | H11 | 58.4° | 56.5° |
| H9 | C1 | C2 | H10 | 58.5° | 175.4° |
| H9 | C1 | C2 | H11 | 61.4° | 63.5° |
