4HM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | O10 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O9 | sing | 1.36Å | 1.34Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O7 | sing | 1.36Å | 1.35Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | O8 | sing | 1.47Å | 1.46Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å | |
| O9 | C11 | sing | 1.43Å | 1.40Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | HC1 | sing | 1.09Å | 1.10Å | |
| C11 | HC2 | sing | 1.09Å | 1.10Å | |
| C11 | HC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.3° | 120.0° |
| C2 | C1 | O10 | 120.3° | 120.0° |
| C1 | C2 | C3 | 120.2° | 119.9° |
| C1 | C2 | O9 | 118.1° | 120.0° |
| C6 | C1 | O10 | 119.4° | 120.0° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C1 | C6 | H6 | 120.1° | 120.0° |
| C1 | O10 | H10 | 109.5° | 106.7° |
| C3 | C2 | O9 | 121.7° | 120.0° |
| C2 | C3 | C4 | 119.2° | 119.9° |
| C2 | C3 | H3 | 120.4° | 120.1° |
| C2 | O9 | C11 | 129.3° | 106.8° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C3 | C4 | O7 | 120.6° | 120.0° |
| C5 | C4 | O7 | 118.9° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C4 | O7 | O8 | 121.8° | 106.8° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.1° | 119.9° |
| O7 | O8 | H8 | 109.5° | 106.8° |
| O9 | C11 | HC1 | 109.4° | 109.5° |
| O9 | C11 | HC2 | 109.5° | 109.5° |
| O9 | C11 | HC3 | 109.5° | 109.4° |
| HC1 | C11 | HC2 | 109.5° | 109.6° |
| HC1 | C11 | HC3 | 109.5° | 109.4° |
| HC2 | C11 | HC3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O10 | 178.4° | 179.5° |
| C1 | C2 | C3 | O9 | 178.1° | 179.8° |
| C1 | C2 | C3 | C4 | 1.6° | 0.2° |
| C1 | C2 | C3 | H3 | 178.4° | 179.8° |
| C2 | C1 | C6 | C5 | 1.4° | 0.4° |
| C2 | C1 | C6 | H6 | 178.6° | 179.7° |
| C1 | C2 | O9 | C11 | 63.4° | 179.7° |
| C2 | C1 | O10 | H10 | 41.6° | 90.5° |
| C6 | C1 | C2 | C3 | 1.7° | 0.5° |
| C6 | C1 | C2 | O9 | 179.9° | 179.8° |
| C1 | C6 | C5 | C4 | 1.1° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 178.9° | 179.8° |
| C6 | C1 | O10 | H10 | 136.8° | 90.0° |
| O10 | C1 | C2 | C3 | 179.9° | 180.0° |
| O10 | C1 | C2 | O9 | 1.7° | 0.2° |
| O10 | C1 | C6 | C5 | 179.8° | 180.0° |
| O10 | C1 | C6 | H6 | 0.2° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| C2 | C3 | C4 | O7 | 179.0° | 180.0° |
| C3 | C2 | O9 | C11 | 114.8° | 0.1° |
| O9 | C2 | C3 | C4 | 179.8° | 180.0° |
| O9 | C2 | C3 | H3 | 0.3° | 0.0° |
| C2 | O9 | C11 | HC1 | 7.2° | 180.0° |
| C2 | O9 | C11 | HC2 | 127.2° | 59.9° |
| C2 | O9 | C11 | HC3 | 112.8° | 60.0° |
| C3 | C4 | C5 | O7 | 179.7° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | H5 | 179.0° | 180.0° |
| C3 | C4 | O7 | O8 | 141.8° | 90.0° |
| H3 | C3 | C4 | C5 | 178.7° | 179.9° |
| H3 | C3 | C4 | O7 | 1.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 178.9° | 180.0° |
| C5 | C4 | O7 | O8 | 38.5° | 90.0° |
| O7 | C4 | C5 | C6 | 179.3° | 180.0° |
| O7 | C4 | C5 | H5 | 0.7° | 0.0° |
| C4 | O7 | O8 | H8 | 156.2° | 179.9° |
| H5 | C5 | C6 | H6 | 1.1° | 0.1° |
| O9 | C11 | HC1 | HC2 | 120.0° | 120.2° |
| O9 | C11 | HC1 | HC3 | 120.0° | 119.9° |
| O9 | C11 | HC2 | HC3 | 120.0° | 119.9° |
| HC1 | C11 | HC2 | HC3 | 120.0° | 120.0° |
