EO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C14 | sing | 1.35Å | 1.36Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C7 | doub | 1.40Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | F9 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C5 | sing | 1.48Å | 1.48Å | |
| C5 | O6 | doub | 1.22Å | 1.22Å | |
| C5 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C3 | sing | 1.46Å | 1.45Å | |
| C3 | C16 | sing | 1.53Å | 1.54Å | |
| C3 | B | sing | 1.60Å | 1.49Å | |
| B | O1 | sing | 1.37Å | 1.54Å | |
| B | O2 | sing | 1.37Å | 1.55Å | |
| B | OXO | sing | 1.37Å | 1.53Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| OXO | HXO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C14 | C13 | 123.9° | 120.1° |
| F15 | C14 | C7 | 118.3° | 120.1° |
| C13 | C14 | C7 | 117.7° | 119.8° |
| C14 | C13 | C12 | 120.4° | 120.2° |
| C14 | C13 | H13 | 119.8° | 119.9° |
| C14 | C7 | C8 | 122.5° | 119.6° |
| C14 | C7 | C5 | 116.9° | 120.2° |
| C13 | C12 | C11 | 120.8° | 120.3° |
| C12 | C13 | H13 | 119.8° | 119.9° |
| C13 | C12 | H12 | 119.6° | 119.8° |
| C12 | C11 | C8 | 117.8° | 120.2° |
| C11 | C12 | H12 | 119.6° | 119.8° |
| C12 | C11 | H11 | 121.1° | 119.8° |
| C11 | C8 | F9 | 120.3° | 120.1° |
| C11 | C8 | C7 | 120.5° | 119.9° |
| C8 | C11 | H11 | 121.1° | 120.0° |
| F9 | C8 | C7 | 119.0° | 120.1° |
| C8 | C7 | C5 | 120.6° | 120.2° |
| C7 | C5 | O6 | 118.8° | 119.9° |
| C7 | C5 | N4 | 117.6° | 120.0° |
| O6 | C5 | N4 | 123.6° | 120.0° |
| C5 | N4 | C3 | 124.9° | 120.0° |
| C5 | N4 | H4 | 117.5° | 120.0° |
| N4 | C3 | C16 | 108.0° | 109.5° |
| N4 | C3 | B | 107.3° | 109.5° |
| C3 | N4 | H4 | 117.6° | 120.0° |
| N4 | C3 | H3 | 112.8° | 109.5° |
| C16 | C3 | B | 112.2° | 109.4° |
| C16 | C3 | H3 | 107.9° | 109.4° |
| C3 | C16 | H161 | 109.5° | 109.5° |
| C3 | C16 | H162 | 109.5° | 109.5° |
| C3 | C16 | H163 | 109.5° | 109.5° |
| C3 | B | O1 | 112.9° | 109.5° |
| C3 | B | O2 | 110.4° | 109.5° |
| C3 | B | OXO | 104.5° | 109.4° |
| B | C3 | H3 | 108.6° | 109.5° |
| O1 | B | O2 | 109.7° | 109.5° |
| O1 | B | OXO | 116.8° | 109.4° |
| B | O1 | H1 | 109.5° | 114.0° |
| O2 | B | OXO | 101.9° | 109.5° |
| B | O2 | H2 | 109.5° | 114.1° |
| B | OXO | HXO | 109.5° | 114.0° |
| H161 | C16 | H162 | 109.4° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C14 | C13 | C7 | 176.9° | 179.7° |
| F15 | C14 | C13 | C12 | 180.0° | 180.0° |
| F15 | C14 | C7 | C8 | 175.7° | 179.7° |
| F15 | C14 | C7 | C5 | 1.7° | 0.1° |
| F15 | C14 | C13 | H13 | 0.0° | 0.0° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 4.7° | 0.1° |
| C13 | C14 | C7 | C8 | 1.4° | 0.5° |
| C13 | C14 | C7 | C5 | 178.8° | 179.7° |
| C14 | C13 | C12 | H12 | 175.3° | 179.9° |
| C7 | C14 | C13 | C12 | 3.1° | 0.3° |
| C14 | C7 | C8 | C11 | 4.3° | 0.5° |
| C14 | C7 | C8 | F9 | 178.8° | 179.8° |
| C14 | C7 | C8 | C5 | 177.3° | 179.8° |
| C14 | C7 | C5 | O6 | 95.5° | 90.0° |
| C14 | C7 | C5 | N4 | 83.9° | 90.0° |
| C7 | C14 | C13 | H13 | 176.9° | 179.8° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C8 | 1.8° | 0.1° |
| C13 | C12 | C11 | H11 | 178.2° | 180.0° |
| C12 | C11 | C8 | H11 | 180.0° | 179.9° |
| C12 | C11 | C8 | F9 | 177.0° | 180.0° |
| C12 | C11 | C8 | C7 | 2.6° | 0.3° |
| C11 | C12 | C13 | H13 | 175.3° | 180.0° |
| C11 | C8 | F9 | C7 | 174.5° | 179.7° |
| C11 | C8 | C7 | C5 | 178.4° | 179.7° |
| C8 | C11 | C12 | H12 | 178.2° | 180.0° |
| F9 | C8 | C7 | C5 | 3.9° | 0.0° |
| F9 | C8 | C11 | H11 | 3.0° | 0.1° |
| C8 | C7 | C5 | O6 | 87.0° | 89.8° |
| C8 | C7 | C5 | N4 | 93.5° | 90.2° |
| C7 | C8 | C11 | H11 | 177.4° | 179.8° |
| C7 | C5 | O6 | N4 | 179.4° | 180.0° |
| C7 | C5 | N4 | C3 | 168.5° | 180.0° |
| C7 | C5 | N4 | H4 | 11.5° | 0.0° |
| O6 | C5 | N4 | C3 | 12.1° | 0.0° |
| O6 | C5 | N4 | H4 | 167.9° | 180.0° |
| C5 | N4 | C3 | H4 | 180.0° | 180.0° |
| C5 | N4 | C3 | C16 | 82.7° | 135.0° |
| C5 | N4 | C3 | B | 156.1° | 105.0° |
| C5 | N4 | C3 | H3 | 36.5° | 15.0° |
| N4 | C3 | C16 | B | 118.1° | 120.0° |
| N4 | C3 | C16 | H3 | 122.3° | 120.0° |
| N4 | C3 | B | H3 | 122.2° | 120.0° |
| N4 | C3 | B | O1 | 49.3° | 60.0° |
| N4 | C3 | B | O2 | 73.9° | 180.0° |
| N4 | C3 | B | OXO | 177.2° | 60.0° |
| N4 | C3 | C16 | H161 | 175.4° | 60.0° |
| N4 | C3 | C16 | H162 | 55.4° | 60.0° |
| N4 | C3 | C16 | H163 | 64.6° | 180.0° |
| C16 | C3 | B | H3 | 119.3° | 119.9° |
| C16 | C3 | B | O1 | 69.2° | 60.1° |
| C16 | C3 | B | O2 | 167.6° | 60.0° |
| C16 | C3 | B | OXO | 58.7° | 180.0° |
| C16 | C3 | N4 | H4 | 97.3° | 45.0° |
| C3 | C16 | H161 | H162 | 120.0° | 120.0° |
| C3 | C16 | H161 | H163 | 120.0° | 120.1° |
| C3 | C16 | H162 | H163 | 120.0° | 120.0° |
| C3 | B | O1 | O2 | 123.6° | 120.1° |
| C3 | B | O1 | OXO | 121.2° | 119.9° |
| C3 | B | O2 | OXO | 110.6° | 120.0° |
| B | C3 | N4 | H4 | 23.9° | 74.9° |
| B | C3 | C16 | H161 | 57.3° | 60.1° |
| B | C3 | C16 | H162 | 62.7° | 180.0° |
| B | C3 | C16 | H163 | 177.3° | 60.0° |
| C3 | B | O1 | H1 | 24.4° | 59.9° |
| C3 | B | O2 | H2 | 59.2° | 60.0° |
| C3 | B | OXO | HXO | 104.9° | 180.0° |
| O1 | B | O2 | OXO | 124.3° | 120.0° |
| O1 | B | C3 | H3 | 171.5° | 180.0° |
| O1 | B | O2 | H2 | 65.9° | 179.9° |
| O1 | B | OXO | HXO | 129.6° | 60.0° |
| O2 | B | C3 | H3 | 48.3° | 59.9° |
| O2 | B | O1 | H1 | 148.0° | 180.0° |
| O2 | B | OXO | HXO | 10.1° | 60.0° |
| OXO | B | C3 | H3 | 60.6° | 60.0° |
| OXO | B | O1 | H1 | 96.8° | 60.0° |
| OXO | B | O2 | H2 | 169.8° | 60.0° |
| H13 | C13 | C12 | H12 | 4.7° | 0.0° |
| H12 | C12 | C11 | H11 | 1.8° | 0.0° |
| H4 | N4 | C3 | H3 | 143.5° | 165.0° |
| H3 | C3 | C16 | H161 | 62.4° | 180.0° |
| H3 | C3 | C16 | H162 | 177.7° | 60.0° |
| H3 | C3 | C16 | H163 | 57.6° | 60.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
