EHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N10 | sing | 1.47Å | 1.47Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| N10 | C15 | sing | 1.47Å | 1.47Å | |
| C15 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | C7 | sing | 1.53Å | 1.54Å | |
| C11 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | N1 | sing | 1.28Å | 1.30Å | |
| N2 | C3 | sing | 1.35Å | 1.36Å | |
| N1 | C4 | doub | 1.31Å | 1.32Å | |
| O8 | C3 | doub | 1.22Å | 1.23Å | |
| C3 | C6 | sing | 1.41Å | 1.42Å | |
| C4 | C9 | sing | 1.48Å | 1.48Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | |
| C9 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.38Å | |
| C5 | C13 | sing | 1.51Å | 1.51Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| N10 | H14 | sing | 1.01Å | 1.00Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C14 | C12 | 110.8° | 109.5° |
| C14 | N10 | C15 | 112.0° | 111.2° |
| C14 | N10 | H14 | 108.9° | 111.0° |
| N10 | C14 | H19 | 109.2° | 109.5° |
| N10 | C14 | H20 | 109.1° | 109.5° |
| C14 | C12 | C7 | 110.2° | 109.3° |
| C14 | C12 | H16 | 109.3° | 109.5° |
| C14 | C12 | H17 | 109.3° | 109.5° |
| C12 | C14 | H19 | 109.1° | 109.5° |
| C12 | C14 | H20 | 109.1° | 109.4° |
| N10 | C15 | C11 | 110.6° | 109.5° |
| N10 | C15 | H6 | 109.2° | 109.4° |
| N10 | C15 | H7 | 109.2° | 109.5° |
| C15 | N10 | H14 | 108.8° | 111.0° |
| C15 | C11 | C7 | 111.8° | 109.3° |
| C11 | C15 | H6 | 109.2° | 109.5° |
| C11 | C15 | H7 | 109.2° | 109.4° |
| C15 | C11 | H11 | 108.9° | 109.5° |
| C15 | C11 | H12 | 108.9° | 109.5° |
| C12 | C7 | C11 | 110.8° | 109.2° |
| C12 | C7 | N2 | 112.5° | 109.5° |
| C12 | C7 | H2 | 107.7° | 109.5° |
| C7 | C12 | H16 | 109.3° | 109.5° |
| C7 | C12 | H17 | 109.3° | 109.5° |
| C11 | C7 | N2 | 109.4° | 109.5° |
| C11 | C7 | H2 | 107.7° | 109.6° |
| C7 | C11 | H11 | 108.9° | 109.5° |
| C7 | C11 | H12 | 108.9° | 109.5° |
| C7 | N2 | N1 | 118.7° | 119.1° |
| C7 | N2 | C3 | 120.5° | 119.1° |
| N2 | C7 | H2 | 108.5° | 109.5° |
| N1 | N2 | C3 | 120.8° | 121.8° |
| N2 | N1 | C4 | 122.8° | 122.3° |
| N2 | C3 | O8 | 121.1° | 120.3° |
| N2 | C3 | C6 | 119.8° | 119.5° |
| N1 | C4 | C9 | 118.2° | 119.8° |
| N1 | C4 | C5 | 120.7° | 120.3° |
| O8 | C3 | C6 | 119.1° | 120.2° |
| C3 | C6 | C5 | 118.3° | 117.9° |
| C3 | C6 | H1 | 120.8° | 121.1° |
| C9 | C4 | C5 | 121.1° | 119.9° |
| C4 | C9 | C16 | 119.8° | 120.1° |
| C4 | C9 | C17 | 120.6° | 120.1° |
| C4 | C5 | C6 | 117.6° | 118.3° |
| C4 | C5 | C13 | 121.7° | 120.9° |
| C16 | C9 | C17 | 119.6° | 119.7° |
| C9 | C16 | C19 | 120.0° | 119.9° |
| C9 | C16 | H13 | 120.0° | 120.1° |
| C9 | C17 | C18 | 119.7° | 119.9° |
| C9 | C17 | H8 | 120.1° | 120.1° |
| C16 | C19 | C20 | 120.6° | 120.1° |
| C19 | C16 | H13 | 120.0° | 120.0° |
| C16 | C19 | H18 | 119.7° | 120.0° |
| C17 | C18 | C20 | 120.4° | 120.1° |
| C18 | C17 | H8 | 120.2° | 120.0° |
| C17 | C18 | H10 | 119.8° | 120.0° |
| C19 | C20 | C18 | 119.7° | 120.2° |
| C19 | C20 | H9 | 120.2° | 119.9° |
| C20 | C19 | H18 | 119.7° | 119.9° |
| C18 | C20 | H9 | 120.1° | 119.9° |
| C20 | C18 | H10 | 119.8° | 119.9° |
| C6 | C5 | C13 | 120.7° | 120.9° |
| C5 | C6 | H1 | 120.9° | 121.0° |
| C5 | C13 | H3 | 109.5° | 109.5° |
| C5 | C13 | H4 | 109.5° | 109.4° |
| C5 | C13 | H5 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.4° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C14 | C12 | H19 | 120.2° | 120.0° |
| N10 | C14 | C12 | H20 | 120.2° | 120.0° |
| C14 | N10 | C15 | H14 | 120.4° | 124.1° |
| C14 | N10 | C15 | C11 | 58.8° | 61.8° |
| N10 | C14 | C12 | C7 | 57.0° | 59.2° |
| C14 | N10 | C15 | H6 | 179.0° | 58.2° |
| C14 | N10 | C15 | H7 | 61.4° | 178.2° |
| N10 | C14 | C12 | H16 | 177.1° | 60.7° |
| N10 | C14 | C12 | H17 | 63.1° | 179.2° |
| N10 | C14 | H19 | H20 | 119.4° | 120.0° |
| C12 | C14 | N10 | C15 | 60.8° | 61.8° |
| C14 | C12 | C7 | H16 | 120.1° | 119.9° |
| C14 | C12 | C7 | H17 | 120.1° | 120.0° |
| C14 | C12 | C7 | C11 | 52.6° | 57.6° |
| C14 | C12 | C7 | N2 | 175.5° | 177.5° |
| C14 | C12 | C7 | H2 | 65.0° | 62.3° |
| C12 | C14 | N10 | H14 | 59.6° | 62.3° |
| C14 | C12 | H16 | H17 | 119.7° | 120.1° |
| C12 | C14 | H19 | H20 | 119.4° | 119.9° |
| N10 | C15 | C11 | H6 | 120.2° | 120.0° |
| N10 | C15 | C11 | H7 | 120.2° | 120.0° |
| N10 | C15 | C11 | C7 | 54.2° | 59.2° |
| N10 | C15 | H6 | H7 | 119.5° | 120.0° |
| N10 | C15 | C11 | H11 | 66.1° | 179.1° |
| N10 | C15 | C11 | H12 | 174.6° | 60.8° |
| C15 | N10 | C14 | H19 | 59.5° | 58.2° |
| C15 | N10 | C14 | H20 | 179.0° | 178.2° |
| C15 | C11 | C7 | C12 | 51.8° | 57.7° |
| C15 | C11 | C7 | H11 | 120.3° | 119.9° |
| C15 | C11 | C7 | H12 | 120.4° | 120.0° |
| C15 | C11 | C7 | N2 | 176.5° | 177.6° |
| C15 | C11 | C7 | H2 | 65.8° | 62.3° |
| C11 | C15 | H6 | H7 | 119.5° | 120.0° |
| C15 | C11 | H11 | H12 | 118.9° | 120.1° |
| C11 | C15 | N10 | H14 | 61.6° | 62.3° |
| C12 | C7 | C11 | N2 | 124.6° | 119.9° |
| C12 | C7 | C11 | H2 | 117.6° | 120.0° |
| C12 | C7 | N2 | H2 | 119.1° | 120.1° |
| C12 | C7 | N2 | N1 | 38.0° | 59.8° |
| C12 | C7 | N2 | C3 | 142.0° | 120.1° |
| C12 | C7 | C11 | H11 | 68.5° | 177.6° |
| C12 | C7 | C11 | H12 | 172.2° | 62.3° |
| C7 | C12 | H16 | H17 | 119.7° | 120.1° |
| C7 | C12 | C14 | H19 | 63.3° | 60.8° |
| C7 | C12 | C14 | H20 | 177.2° | 179.2° |
| C11 | C7 | N2 | H2 | 117.3° | 120.1° |
| C11 | C7 | N2 | N1 | 85.6° | 59.9° |
| C11 | C7 | N2 | C3 | 94.4° | 120.2° |
| C7 | C11 | C15 | H6 | 174.4° | 60.8° |
| C7 | C11 | C15 | H7 | 66.0° | 179.2° |
| C7 | C11 | H11 | H12 | 119.0° | 120.1° |
| C11 | C7 | C12 | H16 | 172.8° | 62.3° |
| C11 | C7 | C12 | H17 | 67.4° | 177.6° |
| C7 | N2 | N1 | C3 | 180.0° | 180.0° |
| C7 | N2 | N1 | C4 | 179.3° | 179.9° |
| C7 | N2 | C3 | O8 | 0.2° | 0.1° |
| C7 | N2 | C3 | C6 | 179.7° | 179.9° |
| N2 | C7 | C11 | H11 | 56.1° | 62.5° |
| N2 | C7 | C11 | H12 | 63.2° | 57.6° |
| N2 | C7 | C12 | H16 | 64.4° | 57.6° |
| N2 | C7 | C12 | H17 | 55.4° | 62.5° |
| N1 | N2 | C3 | O8 | 179.8° | 180.0° |
| N1 | N2 | C3 | C6 | 0.3° | 0.0° |
| N2 | N1 | C4 | C9 | 179.8° | 180.0° |
| N2 | N1 | C4 | C5 | 1.3° | 0.0° |
| N1 | N2 | C7 | H2 | 157.1° | 180.0° |
| C3 | N2 | N1 | C4 | 0.7° | 0.0° |
| N2 | C3 | O8 | C6 | 179.5° | 180.0° |
| N2 | C3 | C6 | C5 | 0.7° | 0.0° |
| N2 | C3 | C6 | H1 | 179.3° | 180.0° |
| C3 | N2 | C7 | H2 | 22.9° | 0.0° |
| N1 | C4 | C9 | C5 | 178.8° | 180.0° |
| N1 | C4 | C9 | C16 | 69.5° | 38.5° |
| N1 | C4 | C9 | C17 | 110.3° | 141.6° |
| N1 | C4 | C5 | C6 | 0.9° | 0.0° |
| N1 | C4 | C5 | C13 | 178.4° | 180.0° |
| O8 | C3 | C6 | C5 | 179.8° | 180.0° |
| O8 | C3 | C6 | H1 | 0.2° | 0.0° |
| C3 | C6 | C5 | C4 | 0.1° | 0.1° |
| C3 | C6 | C5 | H1 | 180.0° | 179.9° |
| C3 | C6 | C5 | C13 | 179.4° | 180.0° |
| C4 | C9 | C16 | C17 | 179.8° | 179.9° |
| C4 | C9 | C16 | C19 | 178.4° | 179.5° |
| C4 | C9 | C17 | C18 | 178.8° | 180.0° |
| C9 | C4 | C5 | C6 | 179.7° | 180.0° |
| C9 | C4 | C5 | C13 | 0.4° | 0.0° |
| C4 | C9 | C17 | H8 | 1.2° | 0.2° |
| C4 | C9 | C16 | H13 | 1.6° | 0.3° |
| C5 | C4 | C9 | C16 | 109.3° | 141.5° |
| C5 | C4 | C9 | C17 | 70.9° | 38.4° |
| C4 | C5 | C6 | C13 | 179.3° | 179.9° |
| C4 | C5 | C6 | H1 | 179.9° | 180.0° |
| C4 | C5 | C13 | H3 | 180.0° | 85.5° |
| C4 | C5 | C13 | H4 | 60.0° | 154.5° |
| C4 | C5 | C13 | H5 | 60.0° | 34.5° |
| C9 | C16 | C19 | H13 | 180.0° | 179.2° |
| C16 | C9 | C17 | C18 | 1.0° | 0.1° |
| C9 | C16 | C19 | C20 | 0.6° | 0.8° |
| C16 | C9 | C17 | H8 | 179.1° | 179.7° |
| C9 | C16 | C19 | H18 | 179.4° | 179.2° |
| C17 | C9 | C16 | C19 | 1.4° | 0.6° |
| C9 | C17 | C18 | H8 | 180.0° | 179.8° |
| C9 | C17 | C18 | C20 | 0.2° | 0.2° |
| C9 | C17 | C18 | H10 | 179.7° | 179.8° |
| C17 | C9 | C16 | H13 | 178.6° | 179.8° |
| C16 | C19 | C20 | H18 | 180.0° | 180.0° |
| C16 | C19 | C20 | C18 | 0.6° | 0.5° |
| C16 | C19 | C20 | H9 | 179.4° | 179.5° |
| C17 | C18 | C20 | C19 | 1.0° | 0.0° |
| C17 | C18 | C20 | H10 | 180.0° | 180.0° |
| C17 | C18 | C20 | H9 | 179.0° | 180.0° |
| C19 | C20 | C18 | H9 | 180.0° | 180.0° |
| C19 | C20 | C18 | H10 | 179.0° | 180.0° |
| C20 | C19 | C16 | H13 | 179.4° | 180.0° |
| C20 | C18 | C17 | H8 | 179.7° | 180.0° |
| C18 | C20 | C19 | H18 | 179.4° | 179.5° |
| C6 | C5 | C13 | H3 | 0.8° | 94.6° |
| C6 | C5 | C13 | H4 | 120.8° | 25.4° |
| C6 | C5 | C13 | H5 | 119.2° | 145.5° |
| C13 | C5 | C6 | H1 | 0.6° | 0.1° |
| C5 | C13 | H3 | H4 | 120.0° | 120.0° |
| C5 | C13 | H3 | H5 | 120.0° | 120.0° |
| C5 | C13 | H4 | H5 | 120.0° | 120.0° |
| H2 | C7 | C11 | H11 | 173.9° | 57.6° |
| H2 | C7 | C11 | H12 | 54.5° | 177.7° |
| H2 | C7 | C12 | H16 | 55.1° | 177.7° |
| H2 | C7 | C12 | H17 | 174.9° | 57.6° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C15 | C11 | H11 | 54.1° | 59.1° |
| H6 | C15 | C11 | H12 | 65.3° | 179.2° |
| H6 | C15 | N10 | H14 | 58.6° | 177.7° |
| H7 | C15 | C11 | H11 | 173.7° | 60.9° |
| H7 | C15 | C11 | H12 | 54.4° | 59.2° |
| H7 | C15 | N10 | H14 | 178.2° | 57.7° |
| H8 | C17 | C18 | H10 | 0.3° | 0.0° |
| H9 | C20 | C18 | H10 | 1.0° | 0.0° |
| H9 | C20 | C19 | H18 | 0.6° | 0.5° |
| H13 | C16 | C19 | H18 | 0.6° | 0.0° |
| H14 | N10 | C14 | H19 | 179.9° | 177.7° |
| H14 | N10 | C14 | H20 | 60.6° | 57.6° |
| H16 | C12 | C14 | H19 | 56.8° | 179.2° |
| H16 | C12 | C14 | H20 | 62.7° | 59.2° |
| H17 | C12 | C14 | H19 | 176.6° | 59.1° |
| H17 | C12 | C14 | H20 | 57.1° | 60.8° |
