H2E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| O2 | C13 | sing | 1.43Å | 1.42Å | |
| O2 | C14 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C20 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C21 | sing | 1.48Å | 1.47Å | |
| C17 | C2 | doub | 1.41Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.38Å | |
| C22 | C23 | sing | 1.42Å | 1.43Å | |
| O5 | C23 | doub | 1.22Å | 1.27Å | |
| C21 | O3 | sing | 1.35Å | 1.37Å | |
| C23 | C24 | sing | 1.41Å | 1.44Å | |
| C12 | N1 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| O3 | C25 | sing | 1.34Å | 1.36Å | |
| C24 | C25 | doub | 1.36Å | 1.39Å | |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C5 | sing | 1.49Å | 1.50Å | |
| C25 | N2 | sing | 1.37Å | 1.38Å | |
| C2 | S1 | sing | 1.76Å | 1.77Å | |
| C29 | N2 | sing | 1.47Å | 1.47Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| N2 | C26 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C15 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.49Å | 1.50Å | |
| O4 | C28 | sing | 1.43Å | 1.42Å | |
| O4 | C27 | sing | 1.43Å | 1.42Å | |
| C4 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| S1 | C3 | sing | 1.76Å | 1.75Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C3 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | O1 | sing | 1.43Å | 1.46Å | |
| C10 | C16 | sing | 1.53Å | 1.53Å | |
| C7 | O1 | sing | 1.36Å | 1.37Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 120.4° | 120.3° |
| C19 | C18 | C17 | 120.5° | 119.4° |
| C19 | C18 | H22 | 119.8° | 120.3° |
| C18 | C19 | H23 | 119.8° | 119.9° |
| C19 | C20 | C1 | 120.6° | 121.1° |
| C20 | C19 | H23 | 119.8° | 119.8° |
| C19 | C20 | H24 | 119.7° | 119.5° |
| C18 | C17 | C21 | 118.8° | 120.0° |
| C18 | C17 | C2 | 119.2° | 120.0° |
| C17 | C18 | H22 | 119.8° | 120.3° |
| C13 | O2 | C14 | 109.8° | 113.7° |
| O2 | C13 | C12 | 111.7° | 109.3° |
| O2 | C13 | H8 | 108.9° | 109.5° |
| O2 | C13 | H9 | 108.9° | 109.5° |
| O2 | C14 | C15 | 111.6° | 109.3° |
| O2 | C14 | H10 | 108.9° | 109.5° |
| O2 | C14 | H11 | 109.0° | 109.5° |
| C13 | C12 | N1 | 110.3° | 109.2° |
| C13 | C12 | H6 | 109.3° | 109.5° |
| C13 | C12 | H7 | 109.3° | 109.5° |
| C12 | C13 | H8 | 108.9° | 109.5° |
| C12 | C13 | H9 | 108.9° | 109.6° |
| C20 | C1 | C2 | 119.1° | 119.0° |
| C20 | C1 | C5 | 119.5° | 117.6° |
| C1 | C20 | H24 | 119.7° | 119.4° |
| C21 | C17 | C2 | 121.9° | 120.0° |
| C17 | C21 | C22 | 124.4° | 119.6° |
| C17 | C21 | O3 | 114.9° | 119.6° |
| C17 | C2 | C1 | 120.1° | 120.0° |
| C17 | C2 | S1 | 121.1° | 118.8° |
| C21 | C22 | C23 | 120.4° | 119.1° |
| C22 | C21 | O3 | 120.6° | 120.8° |
| C21 | C22 | H25 | 119.8° | 120.4° |
| C22 | C23 | O5 | 121.5° | 120.8° |
| C22 | C23 | C24 | 117.0° | 118.4° |
| C23 | C22 | H25 | 119.8° | 120.5° |
| O5 | C23 | C24 | 121.5° | 120.8° |
| C21 | O3 | C25 | 121.4° | 121.8° |
| C23 | C24 | C25 | 120.1° | 119.2° |
| C23 | C24 | H12 | 120.0° | 120.4° |
| C12 | N1 | C15 | 108.8° | 110.7° |
| C12 | N1 | C11 | 112.9° | 110.9° |
| N1 | C12 | H6 | 109.2° | 109.5° |
| N1 | C12 | H7 | 109.3° | 109.5° |
| C14 | C15 | N1 | 110.4° | 109.3° |
| C15 | C14 | H10 | 109.0° | 109.5° |
| C15 | C14 | H11 | 108.9° | 109.5° |
| C14 | C15 | H17 | 109.2° | 109.5° |
| C14 | C15 | H18 | 109.2° | 109.5° |
| O3 | C25 | C24 | 120.4° | 120.8° |
| O3 | C25 | N2 | 117.6° | 119.6° |
| C24 | C25 | N2 | 121.7° | 119.6° |
| C25 | C24 | H12 | 119.9° | 120.4° |
| C2 | C1 | C5 | 121.3° | 123.3° |
| C1 | C2 | S1 | 118.8° | 121.1° |
| C1 | C5 | C4 | 114.4° | 115.5° |
| C1 | C5 | H1 | 108.3° | 108.3° |
| C1 | C5 | H2 | 108.2° | 108.3° |
| C25 | N2 | C29 | 116.4° | 121.0° |
| C25 | N2 | C26 | 125.1° | 121.0° |
| C2 | S1 | C3 | 102.1° | 103.2° |
| N2 | C29 | C28 | 110.2° | 108.6° |
| C29 | N2 | C26 | 117.4° | 118.0° |
| N2 | C29 | H32 | 109.3° | 109.7° |
| N2 | C29 | H33 | 109.3° | 109.7° |
| C29 | C28 | O4 | 111.6° | 109.3° |
| C29 | C28 | H30 | 108.9° | 109.6° |
| C29 | C28 | H31 | 108.9° | 109.4° |
| C28 | C29 | H32 | 109.3° | 109.6° |
| C28 | C29 | H33 | 109.3° | 109.5° |
| N2 | C26 | C27 | 110.3° | 108.4° |
| N2 | C26 | H26 | 109.3° | 109.7° |
| N2 | C26 | H27 | 109.3° | 109.7° |
| C26 | C27 | O4 | 111.7° | 109.2° |
| C27 | C26 | H26 | 109.3° | 109.7° |
| C27 | C26 | H27 | 109.3° | 109.7° |
| C26 | C27 | H28 | 108.9° | 109.6° |
| C26 | C27 | H29 | 108.9° | 109.5° |
| C15 | N1 | C11 | 109.9° | 111.0° |
| N1 | C15 | H17 | 109.2° | 109.5° |
| N1 | C15 | H18 | 109.3° | 109.5° |
| N1 | C11 | C10 | 113.5° | 109.5° |
| N1 | C11 | H4 | 108.5° | 109.4° |
| N1 | C11 | H5 | 108.4° | 109.5° |
| C5 | C4 | C6 | 120.8° | 117.6° |
| C5 | C4 | C3 | 119.8° | 123.3° |
| C4 | C5 | H1 | 108.2° | 108.3° |
| C4 | C5 | H2 | 108.2° | 108.3° |
| C28 | O4 | C27 | 109.7° | 114.2° |
| O4 | C28 | H30 | 109.0° | 109.5° |
| O4 | C28 | H31 | 109.0° | 109.5° |
| O4 | C27 | H28 | 108.9° | 109.5° |
| O4 | C27 | H29 | 108.9° | 109.5° |
| C6 | C4 | C3 | 119.4° | 119.0° |
| C4 | C6 | C7 | 119.7° | 120.8° |
| C4 | C6 | H13 | 120.1° | 119.6° |
| C4 | C3 | S1 | 120.8° | 121.1° |
| C4 | C3 | C9 | 120.5° | 120.2° |
| C6 | C7 | O1 | 125.1° | 120.0° |
| C6 | C7 | C8 | 120.2° | 120.0° |
| C7 | C6 | H13 | 120.1° | 119.6° |
| S1 | C3 | C9 | 118.6° | 118.7° |
| C11 | C10 | O1 | 107.8° | 109.5° |
| C11 | C10 | C16 | 113.2° | 109.5° |
| C11 | C10 | H3 | 108.4° | 109.5° |
| C10 | C11 | H4 | 108.5° | 109.5° |
| C10 | C11 | H5 | 108.5° | 109.5° |
| C3 | C9 | C8 | 120.3° | 120.4° |
| C3 | C9 | H20 | 119.9° | 119.8° |
| O1 | C10 | C16 | 109.8° | 109.5° |
| C10 | O1 | C7 | 119.4° | 117.0° |
| O1 | C10 | H3 | 109.3° | 109.4° |
| C16 | C10 | H3 | 108.4° | 109.5° |
| C10 | C16 | H14 | 109.5° | 109.4° |
| C10 | C16 | H15 | 109.5° | 109.5° |
| C10 | C16 | H16 | 109.4° | 109.5° |
| O1 | C7 | C8 | 114.6° | 120.0° |
| C7 | C8 | C9 | 119.8° | 119.6° |
| C7 | C8 | H19 | 120.1° | 120.2° |
| C9 | C8 | H19 | 120.1° | 120.2° |
| C8 | C9 | H20 | 119.8° | 119.8° |
| H1 | C5 | H2 | 109.5° | 108.0° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.7° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H23 | 180.0° | 179.9° |
| C19 | C18 | C17 | H22 | 180.0° | 179.9° |
| C18 | C19 | C20 | C1 | 1.1° | 0.3° |
| C19 | C18 | C17 | C21 | 177.4° | 179.9° |
| C19 | C18 | C17 | C2 | 2.4° | 0.1° |
| C18 | C19 | C20 | H24 | 179.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.6° | 0.3° |
| C19 | C20 | C1 | H24 | 180.0° | 179.9° |
| C19 | C20 | C1 | C2 | 0.9° | 0.3° |
| C19 | C20 | C1 | C5 | 179.0° | 179.5° |
| C20 | C19 | C18 | H22 | 179.3° | 179.8° |
| C18 | C17 | C21 | C2 | 174.8° | 180.0° |
| C18 | C17 | C21 | C22 | 47.5° | 56.6° |
| C18 | C17 | C21 | O3 | 129.2° | 123.8° |
| C18 | C17 | C2 | C1 | 2.5° | 0.7° |
| C18 | C17 | C2 | S1 | 178.6° | 179.2° |
| C17 | C18 | C19 | H23 | 179.4° | 179.8° |
| O2 | C13 | C12 | H8 | 120.4° | 119.9° |
| O2 | C13 | C12 | H9 | 120.3° | 120.0° |
| O2 | C13 | C12 | N1 | 58.0° | 56.9° |
| C13 | O2 | C14 | C15 | 58.6° | 58.7° |
| O2 | C13 | C12 | H6 | 178.1° | 176.8° |
| O2 | C13 | C12 | H7 | 62.2° | 63.1° |
| O2 | C13 | H8 | H9 | 118.9° | 120.1° |
| C13 | O2 | C14 | H10 | 179.0° | 61.3° |
| C13 | O2 | C14 | H11 | 61.7° | 178.6° |
| C14 | O2 | C13 | C12 | 58.5° | 58.7° |
| O2 | C14 | C15 | H10 | 120.3° | 120.0° |
| O2 | C14 | C15 | H11 | 120.3° | 119.9° |
| O2 | C14 | C15 | N1 | 58.5° | 56.9° |
| C14 | O2 | C13 | H8 | 61.8° | 178.6° |
| C14 | O2 | C13 | H9 | 178.9° | 61.4° |
| O2 | C14 | H10 | H11 | 119.1° | 120.1° |
| O2 | C14 | C15 | H17 | 61.6° | 63.1° |
| O2 | C14 | C15 | H18 | 178.7° | 176.8° |
| C13 | C12 | N1 | H6 | 120.1° | 119.9° |
| C13 | C12 | N1 | H7 | 120.1° | 120.0° |
| C13 | C12 | N1 | C15 | 55.8° | 58.6° |
| C13 | C12 | N1 | C11 | 178.0° | 177.6° |
| C13 | C12 | H6 | H7 | 119.7° | 120.1° |
| C12 | C13 | H8 | H9 | 119.0° | 120.1° |
| C20 | C1 | C2 | C17 | 0.8° | 0.7° |
| C20 | C1 | C2 | C5 | 178.0° | 179.7° |
| C20 | C1 | C2 | S1 | 179.7° | 179.1° |
| C20 | C1 | C5 | C4 | 140.6° | 149.3° |
| C20 | C1 | C5 | H1 | 98.6° | 27.8° |
| C20 | C1 | C5 | H2 | 20.0° | 89.1° |
| C1 | C20 | C19 | H23 | 178.9° | 179.8° |
| C17 | C21 | C22 | O3 | 176.6° | 179.6° |
| C17 | C21 | C22 | C23 | 179.0° | 179.8° |
| C17 | C21 | O3 | C25 | 179.0° | 180.0° |
| C21 | C17 | C2 | C1 | 177.3° | 179.4° |
| C21 | C17 | C2 | S1 | 3.9° | 0.8° |
| C21 | C17 | C18 | H22 | 2.6° | 0.2° |
| C17 | C21 | C22 | H25 | 1.0° | 0.1° |
| C2 | C17 | C21 | C22 | 137.6° | 123.4° |
| C2 | C17 | C21 | O3 | 45.6° | 56.2° |
| C17 | C2 | C1 | S1 | 178.9° | 179.8° |
| C17 | C2 | C1 | C5 | 177.2° | 179.0° |
| C17 | C2 | S1 | C3 | 149.5° | 156.3° |
| C2 | C17 | C18 | H22 | 177.6° | 179.8° |
| C21 | C22 | C23 | H25 | 180.0° | 179.9° |
| C21 | C22 | C23 | O5 | 178.6° | 179.6° |
| C21 | C22 | C23 | C24 | 1.3° | 0.4° |
| C22 | C21 | O3 | C25 | 4.1° | 0.4° |
| C22 | C23 | O5 | C24 | 179.8° | 180.0° |
| C23 | C22 | C21 | O3 | 2.4° | 0.7° |
| C22 | C23 | C24 | C25 | 1.8° | 0.1° |
| C22 | C23 | C24 | H12 | 178.2° | 179.8° |
| O5 | C23 | C24 | C25 | 178.0° | 179.9° |
| O5 | C23 | C24 | H12 | 1.9° | 0.3° |
| O5 | C23 | C22 | H25 | 1.4° | 0.3° |
| C21 | O3 | C25 | C24 | 4.6° | 0.1° |
| C21 | O3 | C25 | N2 | 178.5° | 180.0° |
| O3 | C21 | C22 | H25 | 177.6° | 179.5° |
| C23 | C24 | C25 | O3 | 3.4° | 0.3° |
| C23 | C24 | C25 | H12 | 180.0° | 179.7° |
| C23 | C24 | C25 | N2 | 177.1° | 179.8° |
| C24 | C23 | C22 | H25 | 178.7° | 179.7° |
| C12 | N1 | C15 | C14 | 56.1° | 58.7° |
| C12 | N1 | C15 | C11 | 124.0° | 123.7° |
| C12 | N1 | C11 | C10 | 55.6° | 75.5° |
| C12 | N1 | C11 | H4 | 65.0° | 164.6° |
| C12 | N1 | C11 | H5 | 176.2° | 44.6° |
| N1 | C12 | H6 | H7 | 119.6° | 120.1° |
| N1 | C12 | C13 | H8 | 62.4° | 176.8° |
| N1 | C12 | C13 | H9 | 178.3° | 63.1° |
| C12 | N1 | C15 | H17 | 64.0° | 61.3° |
| C12 | N1 | C15 | H18 | 176.3° | 178.6° |
| C14 | C15 | N1 | H17 | 120.1° | 120.0° |
| C14 | C15 | N1 | H18 | 120.2° | 119.9° |
| C14 | C15 | N1 | C11 | 179.9° | 177.6° |
| C15 | C14 | H10 | H11 | 119.0° | 120.1° |
| C14 | C15 | H17 | H18 | 119.6° | 120.1° |
| O3 | C25 | C24 | N2 | 173.6° | 179.9° |
| O3 | C25 | N2 | C29 | 4.1° | 32.1° |
| O3 | C25 | N2 | C26 | 172.2° | 147.6° |
| O3 | C25 | C24 | H12 | 176.6° | 180.0° |
| C24 | C25 | N2 | C29 | 169.7° | 147.8° |
| C24 | C25 | N2 | C26 | 1.5° | 32.5° |
| C2 | C1 | C5 | C4 | 41.4° | 30.9° |
| C1 | C2 | S1 | C3 | 31.7° | 23.5° |
| C2 | C1 | C5 | H1 | 79.4° | 152.5° |
| C2 | C1 | C5 | H2 | 162.0° | 90.7° |
| C2 | C1 | C20 | H24 | 179.1° | 179.6° |
| C5 | C1 | C2 | S1 | 1.7° | 1.2° |
| C1 | C5 | C4 | H1 | 120.7° | 121.5° |
| C1 | C5 | C4 | H2 | 120.7° | 121.6° |
| C1 | C5 | C4 | C6 | 140.0° | 149.0° |
| C1 | C5 | C4 | C3 | 40.8° | 32.1° |
| C1 | C5 | H1 | H2 | 117.8° | 117.0° |
| C5 | C1 | C20 | H24 | 1.0° | 0.7° |
| C25 | N2 | C29 | C26 | 169.1° | 179.7° |
| C25 | N2 | C29 | C28 | 148.2° | 129.5° |
| C25 | N2 | C26 | C27 | 149.8° | 129.4° |
| N2 | C25 | C24 | H12 | 3.0° | 0.1° |
| C25 | N2 | C26 | H26 | 90.1° | 110.8° |
| C25 | N2 | C26 | H27 | 29.6° | 9.7° |
| C25 | N2 | C29 | H32 | 28.0° | 9.7° |
| C25 | N2 | C29 | H33 | 91.7° | 110.9° |
| C2 | S1 | C3 | C4 | 32.3° | 22.5° |
| C2 | S1 | C3 | C9 | 146.7° | 156.7° |
| N2 | C29 | C28 | H32 | 120.1° | 119.8° |
| N2 | C29 | C28 | H33 | 120.1° | 119.7° |
| C29 | N2 | C26 | C27 | 42.2° | 50.3° |
| N2 | C29 | C28 | O4 | 52.3° | 52.0° |
| C29 | N2 | C26 | H26 | 77.9° | 69.5° |
| C29 | N2 | C26 | H27 | 162.3° | 170.0° |
| N2 | C29 | C28 | H30 | 68.1° | 172.1° |
| N2 | C29 | C28 | H31 | 172.6° | 67.8° |
| N2 | C29 | H32 | H33 | 119.6° | 120.5° |
| C28 | C29 | N2 | C26 | 42.7° | 50.2° |
| C29 | C28 | O4 | H30 | 120.3° | 120.1° |
| C29 | C28 | O4 | H31 | 120.3° | 119.8° |
| C29 | C28 | O4 | C27 | 63.9° | 62.4° |
| C29 | C28 | H30 | H31 | 119.0° | 120.0° |
| C28 | C29 | H32 | H33 | 119.7° | 120.3° |
| N2 | C26 | C27 | H26 | 120.1° | 119.8° |
| N2 | C26 | C27 | H27 | 120.1° | 119.7° |
| N2 | C26 | C27 | O4 | 51.1° | 52.3° |
| N2 | C26 | H26 | H27 | 119.6° | 120.5° |
| N2 | C26 | C27 | H28 | 171.4° | 172.3° |
| N2 | C26 | C27 | H29 | 69.2° | 67.6° |
| C26 | N2 | C29 | H32 | 162.9° | 170.0° |
| C26 | N2 | C29 | H33 | 77.4° | 69.4° |
| C26 | C27 | O4 | C28 | 63.3° | 62.6° |
| C26 | C27 | O4 | H28 | 120.3° | 120.0° |
| C26 | C27 | O4 | H29 | 120.3° | 120.0° |
| C27 | C26 | H26 | H27 | 119.6° | 120.5° |
| C26 | C27 | H28 | H29 | 119.0° | 120.1° |
| C15 | N1 | C11 | C10 | 177.2° | 160.9° |
| C15 | N1 | C11 | H4 | 56.6° | 41.0° |
| C15 | N1 | C11 | H5 | 62.2° | 79.0° |
| C15 | N1 | C12 | H6 | 175.9° | 178.6° |
| C15 | N1 | C12 | H7 | 64.3° | 61.3° |
| N1 | C15 | C14 | H10 | 178.8° | 63.1° |
| N1 | C15 | C14 | H11 | 61.8° | 176.8° |
| N1 | C15 | H17 | H18 | 119.6° | 120.1° |
| N1 | C11 | C10 | H4 | 120.6° | 119.9° |
| N1 | C11 | C10 | H5 | 120.6° | 120.0° |
| N1 | C11 | C10 | O1 | 51.5° | 65.7° |
| N1 | C11 | C10 | C16 | 173.1° | 174.3° |
| N1 | C11 | C10 | H3 | 66.7° | 54.2° |
| N1 | C11 | H4 | H5 | 118.1° | 120.0° |
| C11 | N1 | C12 | H6 | 61.9° | 57.7° |
| C11 | N1 | C12 | H7 | 57.9° | 62.5° |
| C11 | N1 | C15 | H17 | 60.0° | 62.4° |
| C11 | N1 | C15 | H18 | 59.7° | 57.7° |
| C5 | C4 | C6 | C3 | 179.2° | 179.0° |
| C5 | C4 | C6 | C7 | 179.8° | 178.1° |
| C5 | C4 | C3 | S1 | 1.1° | 3.2° |
| C5 | C4 | C3 | C9 | 179.8° | 177.6° |
| C4 | C5 | H1 | H2 | 117.7° | 117.1° |
| C5 | C4 | C6 | H13 | 0.2° | 1.9° |
| C28 | O4 | C27 | H28 | 176.3° | 177.5° |
| C28 | O4 | C27 | H29 | 57.0° | 57.4° |
| O4 | C28 | H30 | H31 | 119.1° | 120.1° |
| O4 | C28 | C29 | H32 | 172.4° | 171.9° |
| O4 | C28 | C29 | H33 | 67.8° | 67.7° |
| O4 | C27 | C26 | H26 | 69.0° | 67.5° |
| O4 | C27 | C26 | H27 | 171.2° | 172.0° |
| O4 | C27 | H28 | H29 | 119.0° | 120.1° |
| C27 | O4 | C28 | H30 | 56.4° | 177.5° |
| C27 | O4 | C28 | H31 | 175.7° | 57.4° |
| C4 | C6 | C7 | H13 | 180.0° | 179.9° |
| C6 | C4 | C3 | S1 | 179.7° | 177.9° |
| C6 | C4 | C3 | C9 | 0.6° | 1.3° |
| C4 | C6 | C7 | O1 | 179.4° | 179.9° |
| C4 | C6 | C7 | C8 | 0.7° | 0.0° |
| C6 | C4 | C5 | H1 | 99.3° | 27.5° |
| C6 | C4 | C5 | H2 | 19.2° | 89.4° |
| C3 | C4 | C6 | C7 | 1.0° | 0.8° |
| C4 | C3 | S1 | C9 | 179.1° | 179.2° |
| C4 | C3 | C9 | C8 | 0.0° | 0.9° |
| C3 | C4 | C5 | H1 | 79.9° | 153.6° |
| C3 | C4 | C5 | H2 | 161.5° | 89.5° |
| C3 | C4 | C6 | H13 | 179.0° | 179.1° |
| C4 | C3 | C9 | H20 | 180.0° | 179.1° |
| C6 | C7 | O1 | C10 | 2.4° | 178.3° |
| C6 | C7 | O1 | C8 | 179.8° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.4° |
| C6 | C7 | C8 | H19 | 179.9° | 179.6° |
| S1 | C3 | C9 | C8 | 179.1° | 178.3° |
| S1 | C3 | C9 | H20 | 0.9° | 1.7° |
| C11 | C10 | O1 | C16 | 123.7° | 120.0° |
| C11 | C10 | O1 | H3 | 117.6° | 120.0° |
| C11 | C10 | C16 | H3 | 120.2° | 120.0° |
| C11 | C10 | O1 | C7 | 155.7° | 155.9° |
| C10 | C11 | H4 | H5 | 118.2° | 120.0° |
| C11 | C10 | C16 | H14 | 180.0° | 180.0° |
| C11 | C10 | C16 | H15 | 60.0° | 60.0° |
| C11 | C10 | C16 | H16 | 60.0° | 60.0° |
| C3 | C9 | C8 | C7 | 0.3° | 0.1° |
| C3 | C9 | C8 | H20 | 180.0° | 180.0° |
| C3 | C9 | C8 | H19 | 179.7° | 179.9° |
| O1 | C10 | C16 | H3 | 119.3° | 120.0° |
| C10 | O1 | C7 | C8 | 177.5° | 1.6° |
| O1 | C10 | C11 | H4 | 172.1° | 54.2° |
| O1 | C10 | C11 | H5 | 69.0° | 174.2° |
| O1 | C10 | C16 | H14 | 59.5° | 60.0° |
| O1 | C10 | C16 | H15 | 179.6° | 180.0° |
| O1 | C10 | C16 | H16 | 60.5° | 59.9° |
| C16 | C10 | O1 | C7 | 80.6° | 84.2° |
| C16 | C10 | C11 | H4 | 66.3° | 65.8° |
| C16 | C10 | C11 | H5 | 52.5° | 54.2° |
| C10 | C16 | H14 | H15 | 120.0° | 119.9° |
| C10 | C16 | H14 | H16 | 120.0° | 120.0° |
| C10 | C16 | H15 | H16 | 119.9° | 120.1° |
| O1 | C7 | C8 | C9 | 179.9° | 179.5° |
| C7 | O1 | C10 | H3 | 38.1° | 35.9° |
| O1 | C7 | C6 | H13 | 0.6° | 0.0° |
| O1 | C7 | C8 | H19 | 0.0° | 0.5° |
| C7 | C8 | C9 | H19 | 180.0° | 180.0° |
| C8 | C7 | C6 | H13 | 179.3° | 180.0° |
| C7 | C8 | C9 | H20 | 179.8° | 179.9° |
| H3 | C10 | C11 | H4 | 53.9° | 174.1° |
| H3 | C10 | C11 | H5 | 172.8° | 65.9° |
| H3 | C10 | C16 | H14 | 59.8° | 59.9° |
| H3 | C10 | C16 | H15 | 60.3° | 60.0° |
| H3 | C10 | C16 | H16 | 179.8° | 179.9° |
| H6 | C12 | C13 | H8 | 57.7° | 63.3° |
| H6 | C12 | C13 | H9 | 61.6° | 56.8° |
| H7 | C12 | C13 | H8 | 177.5° | 56.8° |
| H7 | C12 | C13 | H9 | 58.2° | 176.9° |
| H10 | C14 | C15 | H17 | 58.7° | 177.0° |
| H10 | C14 | C15 | H18 | 61.0° | 56.9° |
| H11 | C14 | C15 | H17 | 178.1° | 56.8° |
| H11 | C14 | C15 | H18 | 58.4° | 63.3° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H19 | C8 | C9 | H20 | 0.2° | 0.1° |
| H22 | C18 | C19 | H23 | 0.7° | 0.1° |
| H23 | C19 | C20 | H24 | 1.0° | 0.0° |
| H26 | C26 | C27 | H28 | 51.3° | 52.5° |
| H26 | C26 | C27 | H29 | 170.6° | 172.6° |
| H27 | C26 | C27 | H28 | 68.5° | 68.0° |
| H27 | C26 | C27 | H29 | 50.9° | 52.1° |
| H30 | C28 | C29 | H32 | 52.0° | 68.1° |
| H30 | C28 | C29 | H33 | 171.8° | 52.4° |
| H31 | C28 | C29 | H32 | 67.3° | 52.0° |
| H31 | C28 | C29 | H33 | 52.5° | 172.5° |
