E9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | O16 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C14 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| O7 | C8 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | CAA | sing | 1.53Å | 1.52Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.3° | 119.9° |
| C2 | C1 | O7 | 119.6° | 120.1° |
| C1 | C2 | C3 | 120.2° | 119.9° |
| C1 | C2 | O16 | 119.5° | 120.1° |
| C6 | C1 | O7 | 120.9° | 120.0° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C1 | C6 | H6 | 120.1° | 120.1° |
| C1 | O7 | C8 | 114.2° | 118.0° |
| C3 | C2 | O16 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C2 | O16 | H16 | 109.5° | 114.0° |
| C3 | C4 | C5 | 119.6° | 120.2° |
| C3 | C4 | C14 | 119.2° | 119.9° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C5 | C4 | C14 | 121.2° | 119.9° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C4 | C5 | H5 | 119.8° | 119.9° |
| C4 | C14 | CAA | 108.5° | 109.5° |
| C4 | C14 | H141 | 109.7° | 109.4° |
| C4 | C14 | H142 | 109.7° | 109.4° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C6 | C5 | H5 | 119.7° | 119.9° |
| O7 | C8 | C9 | 121.1° | 120.0° |
| O7 | C8 | C13 | 118.9° | 120.1° |
| C9 | C8 | C13 | 120.0° | 119.9° |
| C8 | C9 | C10 | 119.5° | 119.9° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| C8 | C13 | C12 | 120.3° | 120.0° |
| C8 | C13 | H13 | 119.8° | 120.0° |
| C9 | C10 | C11 | 120.7° | 120.1° |
| C10 | C9 | H9 | 120.2° | 120.1° |
| C9 | C10 | H10 | 119.7° | 119.9° |
| C10 | C11 | C12 | 119.7° | 120.1° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C11 | H11 | 120.1° | 119.9° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C12 | C11 | H11 | 120.2° | 120.0° |
| C11 | C12 | H12 | 120.2° | 119.9° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| CAA | C14 | H141 | 109.7° | 109.5° |
| CAA | C14 | H142 | 109.7° | 109.5° |
| C14 | CAA | HAA1 | 109.5° | 109.5° |
| C14 | CAA | HAA2 | 109.5° | 109.5° |
| C14 | CAA | HAA3 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 174.5° | 179.7° |
| C1 | C2 | C3 | O16 | 173.7° | 180.0° |
| C1 | C2 | C3 | C4 | 4.7° | 0.1° |
| C2 | C1 | C6 | C5 | 6.9° | 0.1° |
| C2 | C1 | O7 | C8 | 83.3° | 179.2° |
| C2 | C1 | C6 | H6 | 173.2° | 180.0° |
| C1 | C2 | C3 | H3 | 175.3° | 179.9° |
| C1 | C2 | O16 | H16 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 6.7° | 0.0° |
| C6 | C1 | C2 | O16 | 179.6° | 180.0° |
| C1 | C6 | C5 | C4 | 5.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | O7 | C8 | 102.3° | 0.5° |
| C1 | C6 | C5 | H5 | 174.9° | 179.9° |
| O7 | C1 | C2 | C3 | 178.8° | 179.7° |
| O7 | C1 | C2 | O16 | 5.1° | 0.4° |
| O7 | C1 | C6 | C5 | 178.7° | 179.7° |
| C1 | O7 | C8 | C9 | 10.5° | 90.1° |
| C1 | O7 | C8 | C13 | 169.8° | 90.3° |
| O7 | C1 | C6 | H6 | 1.3° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 2.9° | 0.1° |
| C2 | C3 | C4 | C14 | 178.8° | 180.0° |
| C3 | C2 | O16 | H16 | 6.3° | 90.0° |
| O16 | C2 | C3 | C4 | 178.4° | 179.9° |
| O16 | C2 | C3 | H3 | 1.6° | 0.0° |
| C3 | C4 | C5 | C14 | 178.3° | 179.9° |
| C3 | C4 | C5 | C6 | 3.1° | 0.0° |
| C3 | C4 | C14 | CAA | 94.7° | 89.9° |
| C3 | C4 | C5 | H5 | 176.9° | 180.0° |
| C3 | C4 | C14 | H141 | 25.2° | 150.0° |
| C3 | C4 | C14 | H142 | 145.5° | 30.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C14 | CAA | 83.7° | 90.0° |
| C4 | C5 | C6 | H6 | 174.9° | 180.0° |
| C5 | C4 | C3 | H3 | 177.1° | 180.0° |
| C5 | C4 | C14 | H141 | 156.5° | 30.1° |
| C5 | C4 | C14 | H142 | 36.2° | 150.0° |
| C14 | C4 | C5 | C6 | 178.6° | 179.9° |
| C4 | C14 | CAA | H141 | 119.9° | 120.0° |
| C4 | C14 | CAA | H142 | 119.8° | 120.0° |
| C14 | C4 | C3 | H3 | 1.2° | 0.1° |
| C14 | C4 | C5 | H5 | 1.4° | 0.1° |
| C4 | C14 | H141 | H142 | 120.4° | 119.9° |
| C4 | C14 | CAA | HAA1 | 180.0° | 180.0° |
| C4 | C14 | CAA | HAA2 | 60.0° | 59.9° |
| C4 | C14 | CAA | HAA3 | 60.0° | 60.0° |
| O7 | C8 | C9 | C13 | 179.6° | 179.6° |
| O7 | C8 | C9 | C10 | 179.2° | 180.0° |
| O7 | C8 | C13 | C12 | 178.0° | 179.7° |
| O7 | C8 | C9 | H9 | 0.8° | 0.1° |
| O7 | C8 | C13 | H13 | 2.0° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 3.1° | 0.1° |
| C9 | C8 | C13 | C12 | 1.6° | 0.6° |
| C9 | C8 | C13 | H13 | 178.4° | 179.6° |
| C8 | C9 | C10 | H10 | 176.9° | 180.0° |
| C13 | C8 | C9 | C10 | 1.2° | 0.4° |
| C8 | C13 | C12 | C11 | 2.5° | 0.6° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C13 | C8 | C9 | H9 | 178.8° | 179.8° |
| C8 | C13 | C12 | H12 | 177.5° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 2.3° | 0.0° |
| C9 | C10 | C11 | H11 | 177.7° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.3° |
| C11 | C10 | C9 | H9 | 176.9° | 179.9° |
| C10 | C11 | C12 | H12 | 179.5° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C11 | C12 | C13 | H13 | 177.5° | 179.7° |
| C12 | C11 | C10 | H10 | 177.7° | 180.0° |
| C13 | C12 | C11 | H11 | 179.5° | 179.7° |
| CAA | C14 | H141 | H142 | 120.5° | 120.0° |
| C14 | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| C14 | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| C14 | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| H6 | C6 | C5 | H5 | 5.1° | 0.0° |
| H141 | C14 | CAA | HAA1 | 60.1° | 60.0° |
| H141 | C14 | CAA | HAA2 | 179.8° | 179.9° |
| H141 | C14 | CAA | HAA3 | 59.9° | 60.0° |
| H142 | C14 | CAA | HAA1 | 60.1° | 60.0° |
| H142 | C14 | CAA | HAA2 | 59.9° | 60.1° |
| H142 | C14 | CAA | HAA3 | 179.8° | 180.0° |
| H9 | C9 | C10 | H10 | 3.2° | 0.1° |
| H13 | C13 | C12 | H12 | 2.5° | 0.0° |
| H10 | C10 | C11 | H11 | 2.3° | 0.0° |
| H11 | C11 | C12 | H12 | 0.5° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
