E3R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C4 | sing | 1.36Å | 1.37Å | |
| O2 | C14 | sing | 1.43Å | 1.42Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C7 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | C5 | sing | 1.50Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C20 | C17 | sing | 1.53Å | 1.54Å | |
| C2 | C17 | sing | 1.51Å | 1.55Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C16 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C13 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| O1 | C9 | sing | 1.43Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C9 | C15 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| N1 | C25 | trip | 1.14Å | 1.16Å | |
| C25 | C24 | sing | 1.47Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | 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 | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| O2 | H36 | sing | 0.97Å | 0.95Å | |
| O3 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C4 | C3 | 108.1° | 119.9° |
| O3 | C4 | C5 | 122.1° | 119.8° |
| C4 | O3 | H37 | 109.5° | 114.0° |
| O2 | C14 | C11 | 110.6° | 109.5° |
| O2 | C14 | H10 | 109.2° | 109.5° |
| O2 | C14 | H11 | 109.2° | 109.5° |
| C14 | O2 | H36 | 109.5° | 114.0° |
| C14 | C11 | C10 | 107.5° | 109.4° |
| C14 | C11 | C12 | 110.5° | 109.3° |
| C14 | C11 | H5 | 110.9° | 109.2° |
| C11 | C14 | H10 | 109.2° | 109.5° |
| C11 | C14 | H11 | 109.2° | 109.5° |
| C3 | C4 | C5 | 129.8° | 120.2° |
| C4 | C3 | C2 | 110.8° | 119.8° |
| C4 | C3 | H2 | 124.6° | 120.1° |
| C4 | C5 | C7 | 130.9° | 119.6° |
| C4 | C5 | C6 | 114.4° | 119.9° |
| C3 | C2 | C17 | 118.8° | 119.9° |
| C3 | C2 | C1 | 124.3° | 120.1° |
| C2 | C3 | H2 | 124.6° | 120.1° |
| C19 | C17 | C20 | 107.5° | 109.5° |
| C19 | C17 | C2 | 112.0° | 109.5° |
| C19 | C17 | C18 | 109.6° | 109.5° |
| C17 | C19 | H20 | 109.5° | 109.4° |
| C17 | C19 | H21 | 109.5° | 109.4° |
| C17 | C19 | H22 | 109.5° | 109.5° |
| C11 | C10 | C7 | 124.3° | 108.6° |
| C10 | C11 | C12 | 106.1° | 110.2° |
| C11 | C10 | H3 | 105.7° | 109.6° |
| C11 | C10 | H4 | 105.6° | 109.6° |
| C10 | C11 | H5 | 110.9° | 109.3° |
| C10 | C7 | C5 | 118.5° | 112.1° |
| C10 | C7 | C8 | 104.8° | 108.9° |
| C7 | C10 | H3 | 105.6° | 109.6° |
| C7 | C10 | H4 | 105.7° | 109.6° |
| C10 | C7 | H34 | 108.0° | 109.0° |
| C11 | C12 | C13 | 114.4° | 110.2° |
| C12 | C11 | H5 | 110.8° | 109.4° |
| C11 | C12 | H6 | 108.2° | 109.4° |
| C11 | C12 | H7 | 108.3° | 109.3° |
| C5 | C7 | C8 | 109.1° | 109.3° |
| C7 | C5 | C6 | 114.7° | 120.5° |
| C5 | C7 | H34 | 108.1° | 109.0° |
| C7 | C8 | C13 | 113.9° | 108.8° |
| C7 | C8 | C9 | 108.2° | 108.2° |
| C8 | C7 | H34 | 107.9° | 108.5° |
| C7 | C8 | H35 | 108.3° | 109.4° |
| C5 | C6 | C1 | 117.1° | 119.5° |
| C5 | C6 | O1 | 122.7° | 122.1° |
| C20 | C17 | C2 | 107.8° | 109.5° |
| C20 | C17 | C18 | 110.0° | 109.4° |
| C17 | C20 | H23 | 109.5° | 109.4° |
| C17 | C20 | H24 | 109.5° | 109.5° |
| C17 | C20 | H25 | 109.5° | 109.4° |
| C17 | C2 | C1 | 116.9° | 120.0° |
| C2 | C17 | C18 | 109.9° | 109.5° |
| C2 | C1 | C6 | 123.5° | 120.4° |
| C2 | C1 | H1 | 118.2° | 119.8° |
| C17 | C18 | C21 | 109.9° | 109.4° |
| C17 | C18 | H18 | 109.3° | 109.5° |
| C17 | C18 | H19 | 109.4° | 109.4° |
| C12 | C13 | C8 | 114.2° | 108.6° |
| C13 | C12 | H6 | 108.2° | 109.3° |
| C13 | C12 | H7 | 108.2° | 109.3° |
| C12 | C13 | H8 | 108.3° | 109.6° |
| C12 | C13 | H9 | 108.3° | 109.6° |
| C1 | C6 | O1 | 120.2° | 118.4° |
| C6 | C1 | H1 | 118.3° | 119.8° |
| C6 | O1 | C9 | 124.0° | 118.9° |
| C16 | C9 | C8 | 109.9° | 109.8° |
| C16 | C9 | O1 | 109.8° | 109.4° |
| C16 | C9 | C15 | 110.0° | 109.7° |
| C9 | C16 | H15 | 109.5° | 109.5° |
| C9 | C16 | H16 | 109.5° | 109.5° |
| C9 | C16 | H17 | 109.5° | 109.4° |
| C13 | C8 | C9 | 109.3° | 111.7° |
| C8 | C13 | H8 | 108.3° | 109.6° |
| C8 | C13 | H9 | 108.3° | 109.8° |
| C13 | C8 | H35 | 108.4° | 109.4° |
| C8 | C9 | O1 | 108.9° | 108.2° |
| C8 | C9 | C15 | 109.8° | 109.8° |
| C9 | C8 | H35 | 108.7° | 109.3° |
| C18 | C21 | C22 | 110.5° | 109.4° |
| C21 | C18 | H18 | 109.4° | 109.5° |
| C21 | C18 | H19 | 109.4° | 109.5° |
| C18 | C21 | H26 | 109.2° | 109.5° |
| C18 | C21 | H27 | 109.2° | 109.5° |
| O1 | C9 | C15 | 108.3° | 109.9° |
| C21 | C22 | C23 | 109.0° | 109.5° |
| C22 | C21 | H26 | 109.2° | 109.5° |
| C22 | C21 | H27 | 109.2° | 109.4° |
| C21 | C22 | H28 | 109.6° | 109.5° |
| C21 | C22 | H29 | 109.6° | 109.4° |
| C9 | C15 | H12 | 109.5° | 109.5° |
| C9 | C15 | H13 | 109.5° | 109.5° |
| C9 | C15 | H14 | 109.4° | 109.5° |
| C22 | C23 | C24 | 109.3° | 109.5° |
| C23 | C22 | H28 | 109.6° | 109.5° |
| C23 | C22 | H29 | 109.6° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| C23 | C24 | C25 | 107.5° | 109.5° |
| C24 | C23 | H30 | 109.5° | 109.5° |
| C24 | C23 | H31 | 109.5° | 109.5° |
| C23 | C24 | H32 | 110.0° | 109.4° |
| C23 | C24 | H33 | 110.0° | 109.5° |
| N1 | C25 | C24 | 177.7° | 180.0° |
| C25 | C24 | H32 | 110.0° | 109.4° |
| C25 | C24 | H33 | 110.0° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.7° |
| H6 | C12 | H7 | 109.5° | 109.3° |
| H8 | C13 | H9 | 109.4° | 109.5° |
| H10 | C14 | H11 | 109.4° | 109.4° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H12 | C15 | H14 | 109.4° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.4° | 109.5° |
| H20 | C19 | H22 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.4° |
| H23 | C20 | H25 | 109.4° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.5° | 109.5° |
| H28 | C22 | H29 | 109.4° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.4° |
| H32 | C24 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C4 | C3 | C5 | 179.6° | 180.0° |
| O3 | C4 | C3 | C2 | 179.8° | 180.0° |
| O3 | C4 | C5 | C7 | 0.7° | 0.9° |
| O3 | C4 | C5 | C6 | 179.6° | 179.8° |
| O3 | C4 | C3 | H2 | 0.1° | 0.0° |
| O2 | C14 | C11 | H10 | 120.2° | 120.0° |
| O2 | C14 | C11 | H11 | 120.2° | 120.0° |
| O2 | C14 | C11 | C10 | 177.7° | 175.0° |
| O2 | C14 | C11 | C12 | 67.0° | 64.3° |
| O2 | C14 | C11 | H5 | 56.3° | 55.4° |
| O2 | C14 | H10 | H11 | 119.5° | 120.0° |
| C14 | C11 | C10 | C12 | 118.2° | 120.2° |
| C14 | C11 | C10 | H5 | 121.4° | 119.5° |
| C14 | C11 | C10 | C7 | 170.7° | 179.3° |
| C14 | C11 | C12 | H5 | 123.3° | 119.6° |
| C14 | C11 | C12 | C13 | 163.2° | 178.5° |
| C14 | C11 | C10 | H3 | 67.3° | 61.0° |
| C14 | C11 | C10 | H4 | 48.7° | 59.5° |
| C14 | C11 | C12 | H6 | 42.5° | 58.3° |
| C14 | C11 | C12 | H7 | 76.1° | 61.3° |
| C11 | C14 | H10 | H11 | 119.5° | 120.0° |
| C11 | C14 | O2 | H36 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 179.7° | 179.1° |
| C3 | C4 | C5 | C6 | 0.8° | 0.2° |
| C4 | C3 | C2 | C17 | 179.8° | 179.8° |
| C4 | C3 | C2 | C1 | 0.0° | 0.3° |
| C3 | C4 | O3 | H37 | 180.0° | 90.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C7 | C10 | 26.6° | 37.4° |
| C4 | C5 | C7 | C6 | 178.9° | 179.2° |
| C4 | C5 | C7 | C8 | 146.3° | 158.3° |
| C4 | C5 | C6 | C1 | 0.5° | 0.1° |
| C4 | C5 | C6 | O1 | 179.6° | 178.8° |
| C5 | C4 | C3 | H2 | 179.5° | 180.0° |
| C4 | C5 | C7 | H34 | 96.6° | 83.3° |
| C5 | C4 | O3 | H37 | 0.4° | 90.1° |
| C3 | C2 | C17 | C19 | 2.6° | 119.9° |
| C3 | C2 | C17 | C20 | 120.7° | 120.0° |
| C3 | C2 | C17 | C1 | 179.8° | 179.9° |
| C3 | C2 | C17 | C18 | 119.4° | 0.1° |
| C3 | C2 | C1 | C6 | 0.2° | 0.3° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C19 | C17 | C20 | C2 | 120.9° | 120.0° |
| C19 | C17 | C20 | C18 | 119.3° | 120.0° |
| C19 | C17 | C2 | C18 | 122.1° | 120.0° |
| C19 | C17 | C2 | C1 | 177.2° | 60.0° |
| C19 | C17 | C18 | C21 | 52.9° | 60.0° |
| C19 | C17 | C18 | H18 | 173.0° | 180.0° |
| C19 | C17 | C18 | H19 | 67.1° | 60.0° |
| C17 | C19 | H20 | H21 | 120.0° | 119.9° |
| C17 | C19 | H20 | H22 | 120.0° | 120.0° |
| C17 | C19 | H21 | H22 | 120.0° | 120.0° |
| C19 | C17 | C20 | H23 | 180.0° | 180.0° |
| C19 | C17 | C20 | H24 | 60.0° | 60.0° |
| C19 | C17 | C20 | H25 | 60.0° | 60.1° |
| C11 | C10 | C7 | H3 | 122.0° | 119.8° |
| C11 | C10 | C7 | H4 | 122.0° | 119.7° |
| C10 | C11 | C12 | H5 | 120.5° | 120.2° |
| C11 | C10 | C7 | C5 | 174.4° | 177.4° |
| C11 | C10 | C7 | C8 | 52.5° | 61.5° |
| C10 | C11 | C12 | C13 | 47.0° | 58.3° |
| C11 | C10 | H3 | H4 | 113.3° | 120.4° |
| C10 | C11 | C12 | H6 | 73.7° | 61.9° |
| C10 | C11 | C12 | H7 | 167.7° | 178.5° |
| C10 | C11 | C14 | H10 | 57.5° | 65.0° |
| C10 | C11 | C14 | H11 | 62.1° | 54.9° |
| C11 | C10 | C7 | H34 | 62.3° | 56.7° |
| C7 | C10 | C11 | C12 | 52.5° | 59.1° |
| C10 | C7 | C5 | C8 | 119.7° | 120.9° |
| C10 | C7 | C5 | H34 | 123.2° | 120.7° |
| C10 | C7 | C8 | H34 | 115.0° | 118.5° |
| C10 | C7 | C5 | C6 | 154.5° | 143.3° |
| C10 | C7 | C8 | C13 | 47.3° | 63.5° |
| C10 | C7 | C8 | C9 | 169.0° | 175.0° |
| C7 | C10 | H3 | H4 | 113.4° | 120.4° |
| C7 | C10 | C11 | H5 | 67.9° | 61.2° |
| C10 | C7 | C8 | H35 | 73.4° | 56.0° |
| C11 | C12 | C13 | H6 | 120.7° | 120.2° |
| C11 | C12 | C13 | H7 | 120.7° | 120.2° |
| C11 | C12 | C13 | C8 | 51.9° | 59.2° |
| C12 | C11 | C10 | H3 | 174.4° | 178.8° |
| C12 | C11 | C10 | H4 | 69.5° | 60.7° |
| C11 | C12 | H6 | H7 | 117.8° | 119.6° |
| C11 | C12 | C13 | H8 | 172.6° | 178.9° |
| C11 | C12 | C13 | H9 | 68.8° | 60.8° |
| C12 | C11 | C14 | H10 | 172.9° | 55.7° |
| C12 | C11 | C14 | H11 | 53.2° | 175.7° |
| C5 | C7 | C8 | H34 | 117.2° | 118.7° |
| C7 | C5 | C6 | C1 | 179.6° | 179.1° |
| C7 | C5 | C6 | O1 | 0.5° | 2.0° |
| C5 | C7 | C8 | C13 | 175.2° | 173.7° |
| C5 | C7 | C8 | C9 | 63.1° | 52.2° |
| C5 | C7 | C10 | H3 | 63.6° | 57.6° |
| C5 | C7 | C10 | H4 | 52.4° | 62.9° |
| C5 | C7 | C8 | H35 | 54.5° | 66.8° |
| C8 | C7 | C5 | C6 | 34.8° | 22.5° |
| C7 | C8 | C13 | C12 | 52.2° | 61.5° |
| C7 | C8 | C9 | C16 | 64.2° | 55.1° |
| C7 | C8 | C13 | C9 | 121.1° | 119.3° |
| C7 | C8 | C13 | H35 | 120.6° | 119.5° |
| C7 | C8 | C9 | H35 | 117.4° | 119.1° |
| C7 | C8 | C9 | O1 | 56.2° | 64.3° |
| C7 | C8 | C9 | C15 | 174.7° | 175.8° |
| C8 | C7 | C10 | H3 | 174.5° | 178.7° |
| C8 | C7 | C10 | H4 | 69.4° | 58.2° |
| C7 | C8 | C13 | H8 | 173.0° | 178.7° |
| C7 | C8 | C13 | H9 | 68.5° | 58.3° |
| C5 | C6 | C1 | C2 | 0.1° | 0.1° |
| C5 | C6 | C1 | O1 | 179.9° | 179.0° |
| C5 | C6 | O1 | C9 | 6.3° | 14.3° |
| C5 | C6 | C1 | H1 | 179.9° | 179.8° |
| C6 | C5 | C7 | H34 | 82.3° | 96.0° |
| C20 | C17 | C2 | C18 | 119.9° | 120.0° |
| C20 | C17 | C2 | C1 | 59.1° | 60.0° |
| C20 | C17 | C18 | C21 | 171.0° | 60.0° |
| C20 | C17 | C18 | H18 | 69.0° | 60.0° |
| C20 | C17 | C18 | H19 | 50.9° | 180.0° |
| C20 | C17 | C19 | H20 | 180.0° | 60.0° |
| C20 | C17 | C19 | H21 | 60.0° | 59.9° |
| C20 | C17 | C19 | H22 | 60.0° | 180.0° |
| C17 | C20 | H23 | H24 | 120.0° | 120.1° |
| C17 | C20 | H23 | H25 | 120.0° | 119.9° |
| C17 | C20 | H24 | H25 | 120.0° | 120.0° |
| C17 | C2 | C1 | C6 | 180.0° | 179.8° |
| C2 | C17 | C18 | C21 | 70.6° | 180.0° |
| C17 | C2 | C1 | H1 | 0.0° | 0.1° |
| C17 | C2 | C3 | H2 | 0.2° | 0.1° |
| C2 | C17 | C18 | H18 | 49.5° | 60.0° |
| C2 | C17 | C18 | H19 | 169.4° | 60.0° |
| C2 | C17 | C19 | H20 | 61.8° | 60.0° |
| C2 | C17 | C19 | H21 | 178.2° | 180.0° |
| C2 | C17 | C19 | H22 | 58.2° | 60.0° |
| C2 | C17 | C20 | H23 | 59.1° | 60.0° |
| C2 | C17 | C20 | H24 | 60.9° | 180.0° |
| C2 | C17 | C20 | H25 | 179.1° | 59.9° |
| C1 | C2 | C17 | C18 | 60.7° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | O1 | 180.0° | 179.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C17 | C18 | C21 | H18 | 120.0° | 120.0° |
| C17 | C18 | C21 | H19 | 120.0° | 120.0° |
| C17 | C18 | C21 | C22 | 140.2° | 180.0° |
| C17 | C18 | H18 | H19 | 119.8° | 120.0° |
| C18 | C17 | C19 | H20 | 60.4° | 180.0° |
| C18 | C17 | C19 | H21 | 59.6° | 60.0° |
| C18 | C17 | C19 | H22 | 179.6° | 60.0° |
| C18 | C17 | C20 | H23 | 60.6° | 60.0° |
| C18 | C17 | C20 | H24 | 179.3° | 60.0° |
| C18 | C17 | C20 | H25 | 59.3° | 179.9° |
| C17 | C18 | C21 | H26 | 99.7° | 60.0° |
| C17 | C18 | C21 | H27 | 20.0° | 60.0° |
| C12 | C13 | C8 | H8 | 120.7° | 119.8° |
| C12 | C13 | C8 | H9 | 120.7° | 119.9° |
| C12 | C13 | C8 | C9 | 173.3° | 179.1° |
| C13 | C12 | C11 | H5 | 73.5° | 61.9° |
| C13 | C12 | H6 | H7 | 117.7° | 119.6° |
| C12 | C13 | H8 | H9 | 117.8° | 120.3° |
| C12 | C13 | C8 | H35 | 68.4° | 58.0° |
| C1 | C6 | O1 | C9 | 173.6° | 166.8° |
| C6 | O1 | C9 | C16 | 97.6° | 74.2° |
| C6 | O1 | C9 | C8 | 22.9° | 45.4° |
| C6 | O1 | C9 | C15 | 142.3° | 165.2° |
| O1 | C6 | C1 | H1 | 0.0° | 1.3° |
| C16 | C9 | C8 | C13 | 60.3° | 64.6° |
| C16 | C9 | C8 | O1 | 120.4° | 119.4° |
| C16 | C9 | C8 | C15 | 121.2° | 120.7° |
| C16 | C9 | O1 | C15 | 120.1° | 120.6° |
| C16 | C9 | C15 | H12 | 180.0° | 60.0° |
| C16 | C9 | C15 | H13 | 60.0° | 179.9° |
| C16 | C9 | C15 | H14 | 60.0° | 60.1° |
| C9 | C16 | H15 | H16 | 120.0° | 120.1° |
| C9 | C16 | H15 | H17 | 120.0° | 119.9° |
| C9 | C16 | H16 | H17 | 120.0° | 120.0° |
| C16 | C9 | C8 | H35 | 178.4° | 174.2° |
| C13 | C8 | C9 | H35 | 118.1° | 121.2° |
| C13 | C8 | C9 | O1 | 179.3° | 176.0° |
| C13 | C8 | C9 | C15 | 60.8° | 56.1° |
| C8 | C13 | C12 | H6 | 68.8° | 61.1° |
| C8 | C13 | C12 | H7 | 172.6° | 179.3° |
| C8 | C13 | H8 | H9 | 117.8° | 120.5° |
| C13 | C8 | C7 | H34 | 67.6° | 55.0° |
| C8 | C9 | O1 | C15 | 119.4° | 119.9° |
| C9 | C8 | C13 | H8 | 65.9° | 59.4° |
| C9 | C8 | C13 | H9 | 52.6° | 61.0° |
| C8 | C9 | C15 | H12 | 58.9° | 179.3° |
| C8 | C9 | C15 | H13 | 61.1° | 59.4° |
| C8 | C9 | C15 | H14 | 178.9° | 60.6° |
| C8 | C9 | C16 | H15 | 180.0° | 59.9° |
| C8 | C9 | C16 | H16 | 60.0° | 179.9° |
| C8 | C9 | C16 | H17 | 60.0° | 60.0° |
| C9 | C8 | C7 | H34 | 54.0° | 66.5° |
| C18 | C21 | C22 | H26 | 120.2° | 120.0° |
| C18 | C21 | C22 | H27 | 120.2° | 120.0° |
| C18 | C21 | C22 | C23 | 117.0° | 180.0° |
| C21 | C18 | H18 | H19 | 119.8° | 120.1° |
| C18 | C21 | H26 | H27 | 119.5° | 120.1° |
| C18 | C21 | C22 | H28 | 123.1° | 60.0° |
| C18 | C21 | C22 | H29 | 2.9° | 60.0° |
| O1 | C9 | C15 | H12 | 60.0° | 60.4° |
| O1 | C9 | C15 | H13 | 180.0° | 59.6° |
| O1 | C9 | C15 | H14 | 60.0° | 179.6° |
| O1 | C9 | C16 | H15 | 60.2° | 58.7° |
| O1 | C9 | C16 | H16 | 179.8° | 61.3° |
| O1 | C9 | C16 | H17 | 59.8° | 178.6° |
| O1 | C9 | C8 | H35 | 61.2° | 54.8° |
| C21 | C22 | C23 | H28 | 119.9° | 120.0° |
| C21 | C22 | C23 | H29 | 119.9° | 119.9° |
| C21 | C22 | C23 | C24 | 168.2° | 180.0° |
| C22 | C21 | C18 | H18 | 20.1° | 60.0° |
| C22 | C21 | C18 | H19 | 99.8° | 60.0° |
| C22 | C21 | H26 | H27 | 119.5° | 120.0° |
| C21 | C22 | H28 | H29 | 120.2° | 120.0° |
| C21 | C22 | C23 | H30 | 71.8° | 60.0° |
| C21 | C22 | C23 | H31 | 48.3° | 60.0° |
| C9 | C15 | H12 | H13 | 120.0° | 120.0° |
| C9 | C15 | H12 | H14 | 120.0° | 120.1° |
| C9 | C15 | H13 | H14 | 120.0° | 120.0° |
| C15 | C9 | C16 | H15 | 59.0° | 179.4° |
| C15 | C9 | C16 | H16 | 61.1° | 59.3° |
| C15 | C9 | C16 | H17 | 179.0° | 60.7° |
| C15 | C9 | C8 | H35 | 57.3° | 65.1° |
| C22 | C23 | C24 | H30 | 120.0° | 120.0° |
| C22 | C23 | C24 | H31 | 120.0° | 120.0° |
| C22 | C23 | C24 | C25 | 57.2° | 180.0° |
| C23 | C22 | C21 | H26 | 3.2° | 60.0° |
| C23 | C22 | C21 | H27 | 122.8° | 60.0° |
| C23 | C22 | H28 | H29 | 120.2° | 120.0° |
| C22 | C23 | H30 | H31 | 120.1° | 120.0° |
| C22 | C23 | C24 | H32 | 62.5° | 60.0° |
| C22 | C23 | C24 | H33 | 176.8° | 60.0° |
| C23 | C24 | C25 | N1 | 78.4° | 43.4° |
| C23 | C24 | C25 | H32 | 119.7° | 119.9° |
| C23 | C24 | C25 | H33 | 119.7° | 120.1° |
| C24 | C23 | C22 | H28 | 48.3° | 60.0° |
| C24 | C23 | C22 | H29 | 71.8° | 60.0° |
| C24 | C23 | H30 | H31 | 120.1° | 120.0° |
| C23 | C24 | H32 | H33 | 120.9° | 120.0° |
| N1 | C25 | C24 | H32 | 162.0° | 76.5° |
| N1 | C25 | C24 | H33 | 41.3° | 163.5° |
| C25 | C24 | C23 | H30 | 177.1° | 60.0° |
| C25 | C24 | C23 | H31 | 62.8° | 59.9° |
| C25 | C24 | H32 | H33 | 120.9° | 120.0° |
| H3 | C10 | C11 | H5 | 54.0° | 58.6° |
| H3 | C10 | C7 | H34 | 59.7° | 63.1° |
| H4 | C10 | C11 | H5 | 170.1° | 179.1° |
| H4 | C10 | C7 | H34 | 175.7° | 176.4° |
| H5 | C11 | C12 | H6 | 165.8° | 177.9° |
| H5 | C11 | C12 | H7 | 47.2° | 58.3° |
| H5 | C11 | C14 | H10 | 63.9° | 175.4° |
| H5 | C11 | C14 | H11 | 176.5° | 64.7° |
| H6 | C12 | C13 | H8 | 51.9° | 58.7° |
| H6 | C12 | C13 | H9 | 170.4° | 179.0° |
| H7 | C12 | C13 | H8 | 66.7° | 60.9° |
| H7 | C12 | C13 | H9 | 51.9° | 59.4° |
| H8 | C13 | C8 | H35 | 52.3° | 61.8° |
| H9 | C13 | C8 | H35 | 170.9° | 177.9° |
| H10 | C14 | O2 | H36 | 59.8° | 60.0° |
| H11 | C14 | O2 | H36 | 59.9° | 60.0° |
| H12 | C15 | H13 | H14 | 120.0° | 120.0° |
| H15 | C16 | H16 | H17 | 120.0° | 119.9° |
| H18 | C18 | C21 | H26 | 140.3° | 180.0° |
| H18 | C18 | C21 | H27 | 100.0° | 60.0° |
| H19 | C18 | C21 | H26 | 20.4° | 59.9° |
| H19 | C18 | C21 | H27 | 140.1° | 180.0° |
| H20 | C19 | H21 | H22 | 120.0° | 120.0° |
| H23 | C20 | H24 | H25 | 119.9° | 120.0° |
| H26 | C21 | C22 | H28 | 116.8° | 180.0° |
| H26 | C21 | C22 | H29 | 123.1° | 59.9° |
| H27 | C21 | C22 | H28 | 2.9° | 60.0° |
| H27 | C21 | C22 | H29 | 117.3° | 180.0° |
| H28 | C22 | C23 | H30 | 168.2° | 180.0° |
| H28 | C22 | C23 | H31 | 71.7° | 60.0° |
| H29 | C22 | C23 | H30 | 48.1° | 60.0° |
| H29 | C22 | C23 | H31 | 168.2° | 179.9° |
| H30 | C23 | C24 | H32 | 57.4° | 180.0° |
| H30 | C23 | C24 | H33 | 63.2° | 60.0° |
| H31 | C23 | C24 | H32 | 177.5° | 60.0° |
| H31 | C23 | C24 | H33 | 56.9° | 180.0° |
| H34 | C7 | C8 | H35 | 171.7° | 174.5° |
