EH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | S6 | sing | 1.76Å | 1.73Å | Aromatic |
| C8 | C11 | doub | 1.34Å | 1.35Å | Aromatic |
| S6 | C3 | sing | 1.76Å | 1.73Å | Aromatic |
| C11 | C9 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C9 | doub | 1.37Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.46Å | 1.45Å | |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C5 | doub | 1.35Å | 1.33Å | |
| C2 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C15 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.47Å | 1.51Å | |
| C1 | O12 | doub | 1.22Å | 1.25Å | |
| C1 | O10 | sing | 1.35Å | 1.25Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S6 | C8 | C11 | 112.7° | 110.0° |
| C8 | S6 | C3 | 91.7° | 91.1° |
| S6 | C8 | H2 | 123.6° | 125.0° |
| C8 | C11 | C9 | 112.2° | 115.2° |
| C11 | C8 | H2 | 123.6° | 124.9° |
| C8 | C11 | H5 | 123.9° | 122.4° |
| S6 | C3 | C9 | 111.1° | 109.3° |
| S6 | C3 | C5 | 123.2° | 125.3° |
| C11 | C9 | C3 | 112.3° | 114.4° |
| C9 | C11 | H5 | 123.9° | 122.4° |
| C11 | C9 | H9 | 123.8° | 122.8° |
| C16 | C14 | C7 | 120.7° | 120.0° |
| C14 | C16 | C15 | 120.3° | 120.5° |
| C16 | C14 | H6 | 119.7° | 120.0° |
| C14 | C16 | H7 | 119.8° | 119.7° |
| C14 | C7 | C2 | 120.6° | 120.3° |
| C14 | C7 | C4 | 118.9° | 119.4° |
| C7 | C14 | H6 | 119.7° | 120.0° |
| C9 | C3 | C5 | 125.8° | 125.3° |
| C3 | C9 | H9 | 123.9° | 122.8° |
| C3 | C5 | C2 | 126.4° | 120.0° |
| C3 | C5 | H1 | 116.8° | 120.0° |
| C16 | C15 | C13 | 120.3° | 120.5° |
| C16 | C15 | H4 | 119.8° | 119.7° |
| C15 | C16 | H7 | 119.9° | 119.7° |
| C5 | C2 | C7 | 128.0° | 120.0° |
| C2 | C5 | H1 | 116.8° | 120.0° |
| C5 | C2 | H8 | 116.0° | 120.0° |
| C2 | C7 | C4 | 120.4° | 120.3° |
| C7 | C2 | H8 | 116.0° | 120.0° |
| C7 | C4 | C13 | 119.2° | 119.5° |
| C7 | C4 | C1 | 123.8° | 120.2° |
| C15 | C13 | C4 | 120.6° | 120.0° |
| C15 | C13 | H3 | 119.7° | 119.9° |
| C13 | C15 | H4 | 119.9° | 119.8° |
| C13 | C4 | C1 | 116.9° | 120.2° |
| C4 | C13 | H3 | 119.7° | 120.0° |
| C4 | C1 | O12 | 118.2° | 120.0° |
| C4 | C1 | O10 | 118.2° | 120.0° |
| O12 | C1 | O10 | 123.6° | 120.0° |
| C1 | O10 | H10 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S6 | C8 | C11 | H2 | 180.0° | 179.6° |
| S6 | C8 | C11 | C9 | 0.8° | 0.0° |
| C8 | S6 | C3 | C9 | 0.9° | 0.0° |
| C8 | S6 | C3 | C5 | 178.5° | 180.0° |
| S6 | C8 | C11 | H5 | 179.2° | 180.0° |
| C11 | C8 | S6 | C3 | 1.0° | 0.0° |
| C8 | C11 | C9 | H5 | 180.0° | 180.0° |
| C8 | C11 | C9 | C3 | 0.0° | 0.0° |
| C8 | C11 | C9 | H9 | 180.0° | 179.9° |
| S6 | C3 | C9 | C11 | 0.7° | 0.1° |
| S6 | C3 | C9 | C5 | 179.4° | 180.0° |
| S6 | C3 | C5 | C2 | 0.9° | 0.1° |
| S6 | C3 | C5 | H1 | 179.0° | 180.0° |
| C3 | S6 | C8 | H2 | 179.1° | 179.7° |
| S6 | C3 | C9 | H9 | 179.3° | 179.9° |
| C11 | C9 | C3 | H9 | 180.0° | 179.9° |
| C11 | C9 | C3 | C5 | 178.7° | 180.0° |
| C9 | C11 | C8 | H2 | 179.3° | 179.7° |
| C16 | C14 | C7 | H6 | 180.0° | 179.1° |
| C14 | C16 | C15 | H7 | 180.0° | 179.1° |
| C16 | C14 | C7 | C2 | 179.8° | 179.4° |
| C16 | C14 | C7 | C4 | 0.9° | 0.5° |
| C14 | C16 | C15 | C13 | 1.8° | 0.6° |
| C14 | C16 | C15 | H4 | 178.1° | 179.4° |
| C7 | C14 | C16 | C15 | 0.4° | 0.9° |
| C14 | C7 | C2 | C5 | 52.5° | 5.9° |
| C14 | C7 | C2 | C4 | 178.9° | 180.0° |
| C14 | C7 | C4 | C13 | 0.8° | 0.0° |
| C14 | C7 | C4 | C1 | 178.1° | 179.7° |
| C7 | C14 | C16 | H7 | 179.6° | 179.9° |
| C14 | C7 | C2 | H8 | 127.4° | 174.1° |
| C9 | C3 | C5 | C2 | 179.7° | 180.0° |
| C9 | C3 | C5 | H1 | 0.3° | 0.1° |
| C3 | C9 | C11 | H5 | 179.9° | 180.0° |
| C3 | C5 | C2 | H1 | 180.0° | 179.9° |
| C3 | C5 | C2 | C7 | 176.3° | 180.0° |
| C3 | C5 | C2 | H8 | 3.7° | 0.1° |
| C5 | C3 | C9 | H9 | 1.3° | 0.1° |
| C16 | C15 | C13 | H4 | 180.0° | 179.9° |
| C16 | C15 | C13 | C4 | 1.9° | 0.1° |
| C16 | C15 | C13 | H3 | 178.0° | 180.0° |
| C15 | C16 | C14 | H6 | 179.6° | 180.0° |
| C5 | C2 | C7 | H8 | 180.0° | 179.9° |
| C5 | C2 | C7 | C4 | 128.5° | 174.1° |
| C2 | C7 | C4 | C13 | 179.7° | 180.0° |
| C2 | C7 | C4 | C1 | 3.0° | 0.3° |
| C7 | C2 | C5 | H1 | 3.7° | 0.1° |
| C2 | C7 | C14 | H6 | 0.2° | 0.3° |
| C7 | C4 | C13 | C15 | 0.6° | 0.3° |
| C7 | C4 | C13 | C1 | 177.5° | 179.7° |
| C7 | C4 | C1 | O12 | 131.1° | 5.9° |
| C7 | C4 | C1 | O10 | 50.0° | 174.2° |
| C7 | C4 | C13 | H3 | 179.4° | 179.7° |
| C4 | C7 | C14 | H6 | 179.1° | 179.7° |
| C4 | C7 | C2 | H8 | 51.5° | 6.0° |
| C15 | C13 | C4 | H3 | 180.0° | 180.0° |
| C15 | C13 | C4 | C1 | 176.9° | 180.0° |
| C13 | C15 | C16 | H7 | 178.2° | 179.7° |
| C13 | C4 | C1 | O12 | 51.5° | 173.8° |
| C13 | C4 | C1 | O10 | 127.3° | 6.1° |
| C4 | C13 | C15 | H4 | 178.0° | 180.0° |
| C4 | C1 | O12 | O10 | 178.8° | 179.9° |
| C1 | C4 | C13 | H3 | 3.1° | 0.0° |
| C4 | C1 | O10 | H10 | 178.8° | 180.0° |
| O12 | C1 | O10 | H10 | 0.0° | 0.1° |
| H1 | C5 | C2 | H8 | 176.3° | 180.0° |
| H2 | C8 | C11 | H5 | 0.7° | 0.3° |
| H3 | C13 | C15 | H4 | 2.0° | 0.0° |
| H4 | C15 | C16 | H7 | 1.8° | 0.4° |
| H5 | C11 | C9 | H9 | 0.0° | 0.1° |
| H6 | C14 | C16 | H7 | 0.4° | 0.9° |
