HE9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C9 | doub | 1.22Å | 0.00Å | |
| C9 | O10 | sing | 1.35Å | 0.00Å | |
| C9 | C5 | sing | 1.47Å | 0.00Å | |
| C12 | O10 | sing | 1.45Å | 0.00Å | |
| C4 | C5 | doub | 1.40Å | 0.00Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 0.00Å | Aromatic |
| O7 | C3 | sing | 1.36Å | 0.00Å | |
| C5 | C6 | sing | 1.40Å | 0.00Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 0.00Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 0.00Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 0.00Å | Aromatic |
| C2 | O8 | sing | 1.36Å | 0.00Å | |
| C6 | H1 | sing | 1.08Å | 0.00Å | |
| C4 | H2 | sing | 1.08Å | 0.00Å | |
| C1 | H3 | sing | 1.08Å | 0.00Å | |
| O7 | H4 | sing | 0.97Å | 0.00Å | |
| O8 | H5 | sing | 0.97Å | 0.00Å | |
| C12 | H6 | sing | 1.09Å | 0.00Å | |
| C12 | H7 | sing | 1.09Å | 0.00Å | |
| C12 | H8 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C9 | O10 | 90.0° | 120.0° |
| O11 | C9 | C5 | 90.0° | 120.0° |
| O10 | C9 | C5 | 90.0° | 120.0° |
| C9 | O10 | C12 | 90.0° | 117.0° |
| C9 | C5 | C4 | 90.0° | 120.1° |
| C9 | C5 | C6 | 90.0° | 120.1° |
| O10 | C12 | H6 | 90.0° | 109.5° |
| O10 | C12 | H7 | 90.0° | 109.5° |
| O10 | C12 | H8 | 90.0° | 109.5° |
| C5 | C4 | C3 | 90.0° | 119.9° |
| C4 | C5 | C6 | 90.0° | 119.8° |
| C5 | C4 | H2 | 90.0° | 120.1° |
| C4 | C3 | O7 | 90.0° | 120.0° |
| C4 | C3 | C2 | 90.0° | 120.0° |
| C3 | C4 | H2 | 90.0° | 120.0° |
| O7 | C3 | C2 | 90.0° | 120.0° |
| C3 | O7 | H4 | 90.0° | 114.0° |
| C5 | C6 | C1 | 90.0° | 120.0° |
| C5 | C6 | H1 | 90.0° | 120.0° |
| C3 | C2 | C1 | 90.0° | 120.2° |
| C3 | C2 | O8 | 90.0° | 119.9° |
| C6 | C1 | C2 | 90.0° | 120.2° |
| C1 | C6 | H1 | 90.0° | 120.0° |
| C6 | C1 | H3 | 90.0° | 119.9° |
| C1 | C2 | O8 | 90.0° | 119.9° |
| C2 | C1 | H3 | 90.0° | 120.0° |
| C2 | O8 | H5 | 90.0° | 114.0° |
| H6 | C12 | H7 | 90.0° | 109.5° |
| H6 | C12 | H8 | 90.0° | 109.5° |
| H7 | C12 | H8 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C9 | O10 | C5 | 90.0° | 180.0° |
| O11 | C9 | O10 | C12 | 90.0° | 0.0° |
| O11 | C9 | C5 | C4 | 90.0° | 0.3° |
| O11 | C9 | C5 | C6 | 90.0° | 180.0° |
| O10 | C9 | C5 | C4 | 90.0° | 179.7° |
| O10 | C9 | C5 | C6 | 90.0° | 0.1° |
| C9 | O10 | C12 | H6 | 90.0° | 60.0° |
| C9 | O10 | C12 | H7 | 90.0° | 60.0° |
| C9 | O10 | C12 | H8 | 90.0° | 180.0° |
| C5 | C9 | O10 | C12 | 90.0° | 180.0° |
| C9 | C5 | C4 | C6 | 90.0° | 179.8° |
| C9 | C5 | C4 | C3 | 90.0° | 179.7° |
| C9 | C5 | C6 | C1 | 90.0° | 179.7° |
| C9 | C5 | C6 | H1 | 90.0° | 0.2° |
| C9 | C5 | C4 | H2 | 90.0° | 0.2° |
| O10 | C12 | H6 | H7 | 90.0° | 120.0° |
| O10 | C12 | H6 | H8 | 90.0° | 120.0° |
| O10 | C12 | H7 | H8 | 90.0° | 120.0° |
| C5 | C4 | C3 | H2 | 90.0° | 179.9° |
| C5 | C4 | C3 | O7 | 90.0° | 180.0° |
| C5 | C4 | C3 | C2 | 90.0° | 0.0° |
| C4 | C5 | C6 | C1 | 90.0° | 0.0° |
| C4 | C5 | C6 | H1 | 90.0° | 180.0° |
| C4 | C3 | O7 | C2 | 90.0° | 179.9° |
| C3 | C4 | C5 | C6 | 90.0° | 0.0° |
| C4 | C3 | C2 | C1 | 90.0° | 0.0° |
| C4 | C3 | C2 | O8 | 90.0° | 179.9° |
| C4 | C3 | O7 | H4 | 90.0° | 90.0° |
| O7 | C3 | C2 | C1 | 90.0° | 180.0° |
| O7 | C3 | C2 | O8 | 90.0° | 0.0° |
| O7 | C3 | C4 | H2 | 90.0° | 0.1° |
| C5 | C6 | C1 | H1 | 90.0° | 180.0° |
| C5 | C6 | C1 | C2 | 90.0° | 0.0° |
| C6 | C5 | C4 | H2 | 90.0° | 180.0° |
| C5 | C6 | C1 | H3 | 90.0° | 180.0° |
| C3 | C2 | C1 | C6 | 90.0° | 0.0° |
| C3 | C2 | C1 | O8 | 90.0° | 180.0° |
| C2 | C3 | C4 | H2 | 90.0° | 180.0° |
| C3 | C2 | C1 | H3 | 90.0° | 180.0° |
| C2 | C3 | O7 | H4 | 90.0° | 89.9° |
| C3 | C2 | O8 | H5 | 90.0° | 90.0° |
| C6 | C1 | C2 | H3 | 90.0° | 180.0° |
| C6 | C1 | C2 | O8 | 90.0° | 180.0° |
| C2 | C1 | C6 | H1 | 90.0° | 180.0° |
| C1 | C2 | O8 | H5 | 90.0° | 90.0° |
| O8 | C2 | C1 | H3 | 90.0° | 0.0° |
| H1 | C6 | C1 | H3 | 90.0° | 0.0° |
| H6 | C12 | H7 | H8 | 90.0° | 120.0° |
