EH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C15 | sing | 1.74Å | 1.77Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.41Å | |
| C17 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.39Å | 1.45Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| N10 | C09 | sing | 1.39Å | 1.45Å | |
| C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.26Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.47Å | 1.52Å | |
| C04 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| O03 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C15 | C14 | 118.0° | 120.1° |
| CL1 | C15 | C17 | 119.7° | 120.1° |
| C15 | C14 | C13 | 119.5° | 120.3° |
| C14 | C15 | C17 | 122.3° | 119.9° |
| C15 | C14 | H10 | 120.2° | 119.8° |
| C14 | C13 | C12 | 119.3° | 120.3° |
| C14 | C13 | H1 | 120.3° | 119.8° |
| C13 | C14 | H10 | 120.2° | 119.9° |
| C15 | C17 | C18 | 122.2° | 120.2° |
| C15 | C17 | C11 | 117.5° | 119.7° |
| C13 | C12 | C11 | 120.7° | 120.1° |
| C12 | C13 | H1 | 120.4° | 119.8° |
| C13 | C12 | H9 | 119.7° | 119.9° |
| C18 | C17 | C11 | 120.3° | 120.2° |
| C17 | C18 | C19 | 120.9° | 120.1° |
| C17 | C18 | C23 | 120.7° | 120.1° |
| C17 | C11 | C12 | 120.6° | 119.7° |
| C17 | C11 | N10 | 117.8° | 120.1° |
| C12 | C11 | N10 | 121.6° | 120.1° |
| C11 | C12 | H9 | 119.7° | 120.0° |
| C18 | C19 | C20 | 120.7° | 119.9° |
| C19 | C18 | C23 | 118.4° | 119.7° |
| C18 | C19 | H11 | 119.6° | 120.1° |
| C19 | C20 | C21 | 120.4° | 120.1° |
| C19 | C20 | H2 | 119.8° | 120.0° |
| C20 | C19 | H11 | 119.7° | 120.0° |
| C18 | C23 | C22 | 121.0° | 119.9° |
| C18 | C23 | H12 | 119.5° | 120.1° |
| C11 | N10 | C09 | 127.3° | 120.0° |
| C11 | N10 | H13 | 116.4° | 120.0° |
| C20 | C21 | C22 | 119.4° | 120.2° |
| C21 | C20 | H2 | 119.8° | 119.9° |
| C20 | C21 | H3 | 120.3° | 119.9° |
| C23 | C22 | C21 | 120.0° | 120.1° |
| C23 | C22 | H4 | 120.0° | 120.0° |
| C22 | C23 | H12 | 119.5° | 120.1° |
| C22 | C21 | H3 | 120.3° | 119.9° |
| C21 | C22 | H4 | 120.0° | 119.9° |
| N10 | C09 | C08 | 122.8° | 120.2° |
| N10 | C09 | C04 | 117.8° | 120.2° |
| C09 | N10 | H13 | 116.3° | 120.0° |
| C09 | C08 | C07 | 120.4° | 120.1° |
| C08 | C09 | C04 | 119.4° | 119.6° |
| C09 | C08 | H8 | 119.8° | 119.9° |
| C08 | C07 | C06 | 120.1° | 120.4° |
| C08 | C07 | H7 | 119.9° | 119.8° |
| C07 | C08 | H8 | 119.8° | 120.0° |
| C09 | C04 | C02 | 121.3° | 120.2° |
| C09 | C04 | C05 | 120.0° | 119.6° |
| O01 | C02 | C04 | 120.1° | 120.0° |
| O01 | C02 | O03 | 121.4° | 120.0° |
| C07 | C06 | C05 | 119.4° | 120.4° |
| C07 | C06 | H6 | 120.3° | 119.8° |
| C06 | C07 | H7 | 120.0° | 119.8° |
| C02 | C04 | C05 | 118.6° | 120.2° |
| C04 | C02 | O03 | 118.4° | 120.0° |
| C04 | C05 | C06 | 120.6° | 119.9° |
| C04 | C05 | H5 | 119.7° | 120.0° |
| C02 | O03 | H14 | 109.5° | 117.0° |
| C06 | C05 | H5 | 119.7° | 120.0° |
| C05 | C06 | H6 | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C15 | C14 | C17 | 179.9° | 179.7° |
| CL1 | C15 | C14 | C13 | 179.7° | 179.7° |
| CL1 | C15 | C17 | C18 | 0.3° | 0.3° |
| CL1 | C15 | C17 | C11 | 180.0° | 180.0° |
| CL1 | C15 | C14 | H10 | 0.3° | 0.3° |
| C15 | C14 | C13 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C17 | C18 | 179.8° | 180.0° |
| C14 | C15 | C17 | C11 | 0.1° | 0.3° |
| C15 | C14 | C13 | H1 | 179.8° | 179.7° |
| C13 | C14 | C15 | C17 | 0.3° | 0.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C14 | C13 | C12 | H9 | 179.8° | 179.8° |
| C15 | C17 | C18 | C11 | 179.7° | 179.7° |
| C15 | C17 | C11 | C12 | 0.3° | 0.6° |
| C15 | C17 | C18 | C19 | 72.6° | 115.8° |
| C15 | C17 | C18 | C23 | 109.8° | 65.0° |
| C15 | C17 | C11 | N10 | 179.3° | 180.0° |
| C17 | C15 | C14 | H10 | 179.7° | 180.0° |
| C13 | C12 | C11 | C17 | 0.4° | 0.6° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 179.4° | 180.0° |
| C12 | C13 | C14 | H10 | 179.8° | 180.0° |
| C18 | C17 | C11 | C12 | 179.4° | 179.7° |
| C17 | C18 | C19 | C23 | 177.6° | 179.2° |
| C17 | C18 | C19 | C20 | 179.0° | 179.8° |
| C18 | C17 | C11 | N10 | 0.4° | 0.3° |
| C17 | C18 | C23 | C22 | 178.6° | 180.0° |
| C17 | C18 | C19 | H11 | 1.0° | 0.8° |
| C17 | C18 | C23 | H12 | 1.4° | 0.8° |
| C17 | C11 | C12 | N10 | 179.0° | 179.4° |
| C11 | C17 | C18 | C19 | 107.1° | 64.5° |
| C11 | C17 | C18 | C23 | 70.5° | 114.7° |
| C17 | C11 | N10 | C09 | 159.4° | 175.3° |
| C17 | C11 | C12 | H9 | 179.6° | 179.5° |
| C17 | C11 | N10 | H13 | 20.6° | 4.6° |
| C12 | C11 | N10 | C09 | 21.5° | 5.3° |
| C11 | C12 | C13 | H1 | 179.9° | 180.0° |
| C12 | C11 | N10 | H13 | 158.5° | 174.8° |
| C18 | C19 | C20 | H11 | 180.0° | 179.4° |
| C18 | C19 | C20 | C21 | 0.9° | 0.1° |
| C19 | C18 | C23 | C22 | 1.0° | 0.8° |
| C18 | C19 | C20 | H2 | 179.1° | 179.8° |
| C19 | C18 | C23 | H12 | 179.0° | 180.0° |
| C20 | C19 | C18 | C23 | 1.4° | 0.6° |
| C19 | C20 | C21 | H2 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.2° | 0.2° |
| C19 | C20 | C21 | H3 | 179.8° | 179.8° |
| C18 | C23 | C22 | H12 | 180.0° | 179.1° |
| C18 | C23 | C22 | C21 | 0.0° | 0.5° |
| C18 | C23 | C22 | H4 | 180.0° | 179.4° |
| C23 | C18 | C19 | H11 | 178.6° | 180.0° |
| C11 | N10 | C09 | H13 | 180.0° | 180.0° |
| C11 | N10 | C09 | C08 | 24.8° | 97.0° |
| C11 | N10 | C09 | C04 | 155.7° | 82.4° |
| N10 | C11 | C12 | H9 | 0.6° | 0.1° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C21 | C22 | H3 | 180.0° | 180.0° |
| C20 | C21 | C22 | H4 | 179.4° | 179.9° |
| C21 | C20 | C19 | H11 | 179.1° | 179.5° |
| C23 | C22 | C21 | H4 | 180.0° | 180.0° |
| C23 | C22 | C21 | H3 | 179.4° | 180.0° |
| C22 | C21 | C20 | H2 | 179.8° | 180.0° |
| C21 | C22 | C23 | H12 | 180.0° | 179.7° |
| N10 | C09 | C08 | C04 | 179.5° | 179.4° |
| N10 | C09 | C08 | C07 | 180.0° | 180.0° |
| N10 | C09 | C04 | C02 | 1.0° | 0.3° |
| N10 | C09 | C04 | C05 | 179.6° | 180.0° |
| N10 | C09 | C08 | H8 | 0.0° | 0.5° |
| C09 | C08 | C07 | H8 | 180.0° | 179.5° |
| C09 | C08 | C07 | C06 | 0.5° | 0.3° |
| C08 | C09 | C04 | C02 | 178.6° | 179.7° |
| C08 | C09 | C04 | C05 | 0.0° | 0.6° |
| C09 | C08 | C07 | H7 | 179.5° | 179.7° |
| C08 | C09 | N10 | H13 | 155.2° | 83.0° |
| C07 | C08 | C09 | C04 | 0.5° | 0.6° |
| C08 | C07 | C06 | H7 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C08 | C07 | C06 | H6 | 180.0° | 180.0° |
| C09 | C04 | C02 | O01 | 25.6° | 4.0° |
| C09 | C04 | C02 | C05 | 178.6° | 179.7° |
| C09 | C04 | C02 | O03 | 157.0° | 176.0° |
| C09 | C04 | C05 | C06 | 0.5° | 0.3° |
| C09 | C04 | C05 | H5 | 179.5° | 179.7° |
| C04 | C09 | C08 | H8 | 179.5° | 179.9° |
| C04 | C09 | N10 | H13 | 24.3° | 97.7° |
| O01 | C02 | C04 | O03 | 177.4° | 179.9° |
| O01 | C02 | C04 | C05 | 153.0° | 175.7° |
| O01 | C02 | O03 | H14 | 0.0° | 0.1° |
| C07 | C06 | C05 | C04 | 0.4° | 0.0° |
| C07 | C06 | C05 | H6 | 180.0° | 179.9° |
| C07 | C06 | C05 | H5 | 179.5° | 180.0° |
| C06 | C07 | C08 | H8 | 179.5° | 179.8° |
| C02 | C04 | C05 | C06 | 179.1° | 180.0° |
| C02 | C04 | C05 | H5 | 0.9° | 0.0° |
| C04 | C02 | O03 | H14 | 177.4° | 180.0° |
| C05 | C04 | C02 | O03 | 24.4° | 4.3° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | H6 | 179.5° | 180.0° |
| C05 | C06 | C07 | H7 | 179.9° | 180.0° |
| H1 | C13 | C12 | H9 | 0.2° | 0.1° |
| H1 | C13 | C14 | H10 | 0.2° | 0.3° |
| H2 | C20 | C21 | H3 | 0.2° | 0.0° |
| H2 | C20 | C19 | H11 | 0.9° | 0.3° |
| H3 | C21 | C22 | H4 | 0.6° | 0.1° |
| H4 | C22 | C23 | H12 | 0.0° | 0.3° |
| H5 | C05 | C06 | H6 | 0.5° | 0.0° |
| H6 | C06 | C07 | H7 | 0.0° | 0.0° |
| H7 | C07 | C08 | H8 | 0.5° | 0.2° |
