3VL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | O5 | sing | 1.36Å | 1.37Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.39Å | |
| C17 | C18 | sing | 1.48Å | 1.40Å | |
| O4 | C11 | doub | 1.22Å | 1.23Å | |
| C11 | C10 | sing | 1.48Å | 1.40Å | |
| C18 | O6 | doub | 1.22Å | 1.24Å | |
| C18 | C19 | sing | 1.48Å | 1.40Å | |
| C10 | C19 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | O7 | sing | 1.36Å | 1.35Å | |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | N1 | sing | 1.47Å | 1.45Å | |
| C8 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C5 | sing | 1.51Å | 1.40Å | |
| C21 | C22 | sing | 1.51Å | 1.41Å | |
| N1 | C28 | sing | 1.47Å | 1.48Å | |
| N1 | C29 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | C24 | sing | 1.53Å | 1.54Å | |
| O3 | C6 | sing | 1.34Å | 1.36Å | |
| O3 | C7 | sing | 1.45Å | 1.43Å | |
| C5 | C6 | sing | 1.51Å | 1.41Å | |
| C5 | C3 | sing | 1.53Å | 1.54Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | O10 | sing | 1.43Å | 1.47Å | |
| C22 | O8 | sing | 1.43Å | 1.45Å | |
| C22 | C4 | sing | 1.53Å | 1.54Å | |
| O8 | C23 | sing | 1.43Å | 1.47Å | |
| C6 | O2 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | O9 | sing | 1.43Å | 1.44Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| O1 | C3 | sing | 1.43Å | 1.44Å | |
| C23 | O9 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| O7 | H18 | sing | 0.97Å | 0.95Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| O10 | H28 | sing | 0.97Å | 0.95Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 119.1° | 120.6° |
| C14 | C15 | C16 | 118.7° | 120.4° |
| C15 | C14 | H15 | 120.4° | 119.7° |
| C14 | C15 | H16 | 120.7° | 119.9° |
| C14 | C13 | C12 | 121.6° | 120.0° |
| C14 | C13 | H14 | 119.2° | 120.1° |
| C13 | C14 | H15 | 120.5° | 119.7° |
| C15 | C16 | O5 | 120.1° | 120.2° |
| C15 | C16 | C17 | 122.4° | 119.6° |
| C16 | C15 | H16 | 120.6° | 119.7° |
| C13 | C12 | C17 | 119.7° | 119.8° |
| C13 | C12 | C11 | 120.0° | 120.6° |
| C12 | C13 | H14 | 119.2° | 120.0° |
| O5 | C16 | C17 | 117.5° | 120.2° |
| C16 | O5 | H17 | 109.5° | 114.0° |
| C16 | C17 | C12 | 118.5° | 119.7° |
| C16 | C17 | C18 | 121.8° | 120.6° |
| C17 | C12 | C11 | 120.2° | 119.6° |
| C12 | C17 | C18 | 119.7° | 119.7° |
| C12 | C11 | O4 | 119.0° | 120.4° |
| C12 | C11 | C10 | 120.5° | 119.1° |
| C17 | C18 | O6 | 119.5° | 120.4° |
| C17 | C18 | C19 | 120.2° | 119.2° |
| O4 | C11 | C10 | 120.5° | 120.4° |
| C11 | C10 | C19 | 119.6° | 119.6° |
| C11 | C10 | C9 | 121.2° | 120.9° |
| O6 | C18 | C19 | 120.4° | 120.4° |
| C18 | C19 | C10 | 119.8° | 119.7° |
| C18 | C19 | C20 | 122.8° | 120.8° |
| C19 | C10 | C9 | 119.2° | 119.5° |
| C10 | C19 | C20 | 117.4° | 119.4° |
| C10 | C9 | C8 | 122.5° | 120.6° |
| C10 | C9 | H13 | 118.7° | 119.7° |
| C19 | C20 | O7 | 118.6° | 119.9° |
| C19 | C20 | C21 | 124.5° | 120.3° |
| C9 | C8 | C21 | 118.5° | 120.1° |
| C9 | C8 | C5 | 120.9° | 117.3° |
| C8 | C9 | H13 | 118.8° | 119.7° |
| O7 | C20 | C21 | 116.9° | 119.9° |
| C20 | O7 | H18 | 109.5° | 114.0° |
| C20 | C21 | C8 | 117.5° | 120.1° |
| C20 | C21 | C22 | 119.4° | 117.4° |
| C30 | N1 | C28 | 114.0° | 111.0° |
| C30 | N1 | C29 | 110.7° | 111.0° |
| N1 | C30 | H34 | 109.5° | 109.5° |
| N1 | C30 | H35 | 109.5° | 109.4° |
| N1 | C30 | H36 | 109.4° | 109.5° |
| C21 | C8 | C5 | 119.4° | 122.6° |
| C8 | C21 | C22 | 122.7° | 122.5° |
| C8 | C5 | C6 | 111.0° | 109.2° |
| C8 | C5 | C3 | 115.9° | 110.7° |
| C8 | C5 | H9 | 105.8° | 109.2° |
| C21 | C22 | O8 | 103.4° | 109.2° |
| C21 | C22 | C4 | 114.7° | 110.6° |
| C21 | C22 | H19 | 113.2° | 109.3° |
| C28 | N1 | C29 | 115.7° | 111.0° |
| N1 | C28 | C27 | 114.1° | 109.5° |
| N1 | C28 | C24 | 109.2° | 109.5° |
| N1 | C28 | H29 | 108.5° | 109.7° |
| N1 | C29 | H31 | 109.5° | 109.5° |
| N1 | C29 | H32 | 109.5° | 109.5° |
| N1 | C29 | H33 | 109.4° | 109.4° |
| C27 | C28 | C24 | 109.3° | 109.0° |
| C28 | C27 | C25 | 109.3° | 109.2° |
| C28 | C27 | O10 | 114.0° | 109.6° |
| C28 | C27 | H27 | 107.6° | 109.5° |
| C27 | C28 | H29 | 107.8° | 109.6° |
| C28 | C24 | C23 | 111.4° | 109.1° |
| C28 | C24 | H21 | 109.0° | 109.6° |
| C28 | C24 | H22 | 109.0° | 109.6° |
| C24 | C28 | H29 | 107.8° | 109.5° |
| C6 | O3 | C7 | 110.4° | 117.0° |
| O3 | C6 | C5 | 113.5° | 120.0° |
| O3 | C6 | O2 | 123.8° | 120.0° |
| O3 | C7 | H10 | 109.5° | 109.5° |
| O3 | C7 | H11 | 109.5° | 109.5° |
| O3 | C7 | H12 | 109.5° | 109.5° |
| C6 | C5 | C3 | 113.0° | 109.2° |
| C5 | C6 | O2 | 122.7° | 120.0° |
| C6 | C5 | H9 | 105.7° | 109.2° |
| C5 | C3 | O1 | 108.8° | 109.7° |
| C5 | C3 | C4 | 106.0° | 108.4° |
| C5 | C3 | C2 | 106.4° | 109.7° |
| C3 | C5 | H9 | 104.4° | 109.2° |
| C25 | C27 | O10 | 109.5° | 109.5° |
| C27 | C25 | C26 | 111.5° | 109.5° |
| C27 | C25 | O9 | 108.7° | 109.4° |
| C27 | C25 | H23 | 109.3° | 109.5° |
| C25 | C27 | H27 | 107.7° | 109.5° |
| O10 | C27 | H27 | 108.5° | 109.6° |
| C27 | O10 | H28 | 109.5° | 114.0° |
| O8 | C22 | C4 | 101.0° | 109.2° |
| C22 | O8 | C23 | 112.3° | 114.0° |
| O8 | C22 | H19 | 112.5° | 109.2° |
| C22 | C4 | C3 | 106.6° | 108.4° |
| C22 | C4 | H6 | 110.2° | 109.7° |
| C22 | C4 | H7 | 110.2° | 109.7° |
| C4 | C22 | H19 | 111.1° | 109.2° |
| O8 | C23 | C24 | 110.6° | 109.5° |
| O8 | C23 | O9 | 103.0° | 109.5° |
| O8 | C23 | H20 | 111.1° | 109.5° |
| C26 | C25 | O9 | 107.5° | 109.5° |
| C26 | C25 | H23 | 109.4° | 109.5° |
| C25 | C26 | H24 | 109.5° | 109.5° |
| C25 | C26 | H25 | 109.4° | 109.4° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | O9 | C23 | 115.2° | 114.1° |
| O9 | C25 | H23 | 110.5° | 109.4° |
| C24 | C23 | O9 | 110.1° | 109.4° |
| C24 | C23 | H20 | 110.4° | 109.5° |
| C23 | C24 | H21 | 109.0° | 109.5° |
| C23 | C24 | H22 | 109.0° | 109.5° |
| O1 | C3 | C4 | 112.4° | 109.6° |
| O1 | C3 | C2 | 105.6° | 109.7° |
| C3 | O1 | H8 | 109.5° | 114.1° |
| O9 | C23 | H20 | 111.4° | 109.5° |
| C4 | C3 | C2 | 117.3° | 109.7° |
| C3 | C4 | H6 | 110.2° | 109.7° |
| C3 | C4 | H7 | 110.2° | 109.7° |
| C3 | C2 | C1 | 115.4° | 109.5° |
| C3 | C2 | H4 | 108.0° | 109.5° |
| C3 | C2 | H5 | 107.9° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 107.9° | 109.4° |
| C1 | C2 | H5 | 108.0° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.7° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.4° |
| H21 | C24 | H22 | 109.4° | 109.5° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H24 | C26 | H26 | 109.4° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.4° |
| H31 | C29 | H32 | 109.5° | 109.5° |
| H31 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.4° |
| H34 | C30 | H35 | 109.5° | 109.5° |
| H34 | C30 | H36 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C16 | O5 | 179.1° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 0.0° |
| C15 | C14 | C13 | H14 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C13 | C12 | H14 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 0.3° | 0.1° |
| C14 | C13 | C12 | C11 | 179.7° | 180.0° |
| C13 | C14 | C15 | H16 | 179.6° | 180.0° |
| C15 | C16 | O5 | C17 | 179.7° | 179.9° |
| C15 | C16 | C17 | C12 | 0.7° | 0.1° |
| C15 | C16 | C17 | C18 | 179.8° | 179.9° |
| C16 | C15 | C14 | H15 | 179.7° | 179.9° |
| C15 | C16 | O5 | H17 | 180.0° | 90.0° |
| C13 | C12 | C17 | C16 | 0.5° | 0.1° |
| C13 | C12 | C17 | C11 | 179.9° | 179.9° |
| C13 | C12 | C17 | C18 | 179.7° | 179.8° |
| C13 | C12 | C11 | O4 | 0.7° | 14.1° |
| C13 | C12 | C11 | C10 | 179.3° | 166.0° |
| C12 | C13 | C14 | H15 | 179.8° | 179.9° |
| O5 | C16 | C17 | C12 | 179.0° | 180.0° |
| O5 | C16 | C17 | C18 | 0.1° | 0.1° |
| O5 | C16 | C15 | H16 | 0.9° | 0.0° |
| C16 | C17 | C12 | C18 | 179.2° | 179.9° |
| C16 | C17 | C12 | C11 | 179.4° | 180.0° |
| C16 | C17 | C18 | O6 | 0.3° | 13.9° |
| C16 | C17 | C18 | C19 | 179.1° | 166.1° |
| C17 | C16 | C15 | H16 | 179.4° | 180.0° |
| C17 | C16 | O5 | H17 | 0.2° | 90.0° |
| C17 | C12 | C11 | O4 | 179.4° | 166.0° |
| C17 | C12 | C11 | C10 | 0.6° | 13.9° |
| C12 | C17 | C18 | O6 | 179.4° | 166.1° |
| C12 | C17 | C18 | C19 | 0.1° | 13.8° |
| C17 | C12 | C13 | H14 | 179.7° | 180.0° |
| C11 | C12 | C17 | C18 | 0.3° | 0.1° |
| C12 | C11 | O4 | C10 | 180.0° | 179.9° |
| C12 | C11 | C10 | C19 | 0.7° | 13.8° |
| C12 | C11 | C10 | C9 | 179.9° | 166.1° |
| C11 | C12 | C13 | H14 | 0.3° | 0.1° |
| C17 | C18 | O6 | C19 | 179.3° | 180.0° |
| C17 | C18 | C19 | C10 | 0.1° | 13.9° |
| C17 | C18 | C19 | C20 | 179.8° | 166.0° |
| O4 | C11 | C10 | C19 | 179.3° | 166.1° |
| O4 | C11 | C10 | C9 | 0.1° | 14.1° |
| C11 | C10 | C19 | C18 | 0.3° | 0.1° |
| C11 | C10 | C19 | C9 | 179.3° | 179.9° |
| C11 | C10 | C19 | C20 | 179.5° | 179.8° |
| C11 | C10 | C9 | C8 | 176.5° | 179.7° |
| C11 | C10 | C9 | H13 | 3.5° | 0.3° |
| O6 | C18 | C19 | C10 | 179.4° | 166.1° |
| O6 | C18 | C19 | C20 | 0.9° | 14.1° |
| C18 | C19 | C10 | C20 | 179.8° | 179.9° |
| C18 | C19 | C10 | C9 | 179.6° | 180.0° |
| C18 | C19 | C20 | O7 | 0.1° | 0.1° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C19 | C10 | C9 | C8 | 2.8° | 0.2° |
| C10 | C19 | C20 | O7 | 179.7° | 180.0° |
| C10 | C19 | C20 | C21 | 0.7° | 0.1° |
| C19 | C10 | C9 | H13 | 177.2° | 179.8° |
| C9 | C10 | C19 | C20 | 0.2° | 0.1° |
| C10 | C9 | C8 | H13 | 180.0° | 180.0° |
| C10 | C9 | C8 | C21 | 6.5° | 0.3° |
| C10 | C9 | C8 | C5 | 173.8° | 179.5° |
| C19 | C20 | O7 | C21 | 179.7° | 179.9° |
| C19 | C20 | C21 | C8 | 4.3° | 0.2° |
| C19 | C20 | C21 | C22 | 178.4° | 179.7° |
| C19 | C20 | O7 | H18 | 0.5° | 94.5° |
| C9 | C8 | C21 | C20 | 7.0° | 0.3° |
| C9 | C8 | C21 | C5 | 167.5° | 179.8° |
| C9 | C8 | C21 | C22 | 179.2° | 179.6° |
| C9 | C8 | C5 | C6 | 63.8° | 77.2° |
| C9 | C8 | C5 | C3 | 165.6° | 162.5° |
| C9 | C8 | C5 | H9 | 50.5° | 42.2° |
| O7 | C20 | C21 | C8 | 176.0° | 179.9° |
| O7 | C20 | C21 | C22 | 1.9° | 0.2° |
| C20 | C21 | C8 | C22 | 173.8° | 179.9° |
| C20 | C21 | C8 | C5 | 174.5° | 179.5° |
| C20 | C21 | C22 | O8 | 89.1° | 77.4° |
| C20 | C21 | C22 | C4 | 161.9° | 162.3° |
| C21 | C20 | O7 | H18 | 179.2° | 85.4° |
| C20 | C21 | C22 | H19 | 32.9° | 42.0° |
| C30 | N1 | C28 | C29 | 130.2° | 123.9° |
| C30 | N1 | C28 | C27 | 53.1° | 56.1° |
| C30 | N1 | C28 | C24 | 175.7° | 175.6° |
| C30 | N1 | C28 | H29 | 67.1° | 64.2° |
| C30 | N1 | C29 | H31 | 180.0° | 63.9° |
| C30 | N1 | C29 | H32 | 60.0° | 56.1° |
| C30 | N1 | C29 | H33 | 60.0° | 176.1° |
| N1 | C30 | H34 | H35 | 120.0° | 120.0° |
| N1 | C30 | H34 | H36 | 120.0° | 120.0° |
| N1 | C30 | H35 | H36 | 120.0° | 120.0° |
| C21 | C8 | C5 | C6 | 103.5° | 102.7° |
| C21 | C8 | C5 | C3 | 27.2° | 17.6° |
| C8 | C21 | C22 | O8 | 84.7° | 102.5° |
| C8 | C21 | C22 | C4 | 24.4° | 17.8° |
| C21 | C8 | C5 | H9 | 142.3° | 137.9° |
| C21 | C8 | C9 | H13 | 173.5° | 179.7° |
| C8 | C21 | C22 | H19 | 153.3° | 138.1° |
| C5 | C8 | C21 | C22 | 11.7° | 0.6° |
| C8 | C5 | C6 | O3 | 104.2° | 148.7° |
| C8 | C5 | C6 | C3 | 132.2° | 121.2° |
| C8 | C5 | C6 | H9 | 114.3° | 119.4° |
| C8 | C5 | C3 | H9 | 116.0° | 120.3° |
| C8 | C5 | C6 | O2 | 75.2° | 31.3° |
| C8 | C5 | C3 | O1 | 68.0° | 68.7° |
| C8 | C5 | C3 | C4 | 53.2° | 51.0° |
| C8 | C5 | C3 | C2 | 178.7° | 170.8° |
| C5 | C8 | C9 | H13 | 6.2° | 0.5° |
| C21 | C22 | O8 | C4 | 118.9° | 121.1° |
| C21 | C22 | O8 | H19 | 122.5° | 119.5° |
| C21 | C22 | C4 | H19 | 130.0° | 120.3° |
| C21 | C22 | O8 | C23 | 168.0° | 126.1° |
| C21 | C22 | C4 | C3 | 50.1° | 51.2° |
| C21 | C22 | C4 | H6 | 69.5° | 170.9° |
| C21 | C22 | C4 | H7 | 169.6° | 68.6° |
| N1 | C28 | C27 | C24 | 122.5° | 119.8° |
| N1 | C28 | C27 | H29 | 120.5° | 120.3° |
| N1 | C28 | C24 | H29 | 117.7° | 120.3° |
| N1 | C28 | C27 | C25 | 179.8° | 176.8° |
| N1 | C28 | C27 | O10 | 56.9° | 56.9° |
| N1 | C28 | C24 | C23 | 179.8° | 176.9° |
| N1 | C28 | C24 | H21 | 59.9° | 56.9° |
| N1 | C28 | C24 | H22 | 59.5° | 63.3° |
| N1 | C28 | C27 | H27 | 63.5° | 63.3° |
| C28 | N1 | C29 | H31 | 48.3° | 59.9° |
| C28 | N1 | C29 | H32 | 168.3° | 180.0° |
| C28 | N1 | C29 | H33 | 71.7° | 60.0° |
| C28 | N1 | C30 | H34 | 180.0° | 60.0° |
| C28 | N1 | C30 | H35 | 60.0° | 180.0° |
| C28 | N1 | C30 | H36 | 60.0° | 60.0° |
| C29 | N1 | C28 | C27 | 77.1° | 180.0° |
| C29 | N1 | C28 | C24 | 45.5° | 60.5° |
| C29 | N1 | C28 | H29 | 162.8° | 59.7° |
| N1 | C29 | H31 | H32 | 120.0° | 120.1° |
| N1 | C29 | H31 | H33 | 120.0° | 120.0° |
| N1 | C29 | H32 | H33 | 119.9° | 119.9° |
| C29 | N1 | C30 | H34 | 47.4° | 176.1° |
| C29 | N1 | C30 | H35 | 167.4° | 56.0° |
| C29 | N1 | C30 | H36 | 72.6° | 63.9° |
| C27 | C28 | C24 | H29 | 116.9° | 119.9° |
| C28 | C27 | C25 | O10 | 125.5° | 119.9° |
| C28 | C27 | C25 | H27 | 116.7° | 119.9° |
| C28 | C27 | O10 | H27 | 119.9° | 120.2° |
| C28 | C27 | C25 | C26 | 177.5° | 177.6° |
| C28 | C27 | C25 | O9 | 59.2° | 57.6° |
| C27 | C28 | C24 | C23 | 54.3° | 57.0° |
| C27 | C28 | C24 | H21 | 174.6° | 62.9° |
| C27 | C28 | C24 | H22 | 66.0° | 176.9° |
| C28 | C27 | C25 | H23 | 61.5° | 62.3° |
| C28 | C27 | O10 | H28 | 180.0° | 179.7° |
| C24 | C28 | C27 | C25 | 57.2° | 57.0° |
| C24 | C28 | C27 | O10 | 65.6° | 62.9° |
| C28 | C24 | C23 | O8 | 60.5° | 62.3° |
| C28 | C24 | C23 | H21 | 120.3° | 120.0° |
| C28 | C24 | C23 | H22 | 120.3° | 119.9° |
| C28 | C24 | C23 | O9 | 52.6° | 57.6° |
| C28 | C24 | C23 | H20 | 176.1° | 177.6° |
| C28 | C24 | H21 | H22 | 119.1° | 120.2° |
| C24 | C28 | C27 | H27 | 173.9° | 176.9° |
| O3 | C6 | C5 | O2 | 179.4° | 180.0° |
| O3 | C6 | C5 | C3 | 123.6° | 90.1° |
| O3 | C6 | C5 | H9 | 10.1° | 29.3° |
| C6 | O3 | C7 | H10 | 180.0° | 60.0° |
| C6 | O3 | C7 | H11 | 60.0° | 60.0° |
| C6 | O3 | C7 | H12 | 60.0° | 180.0° |
| C7 | O3 | C6 | C5 | 178.3° | 180.0° |
| C7 | O3 | C6 | O2 | 2.4° | 0.0° |
| O3 | C7 | H10 | H11 | 120.0° | 120.0° |
| O3 | C7 | H10 | H12 | 120.0° | 120.0° |
| O3 | C7 | H11 | H12 | 120.0° | 120.0° |
| C6 | C5 | C3 | H9 | 114.4° | 119.4° |
| C6 | C5 | C3 | O1 | 162.4° | 171.0° |
| C6 | C5 | C3 | C4 | 76.5° | 69.3° |
| C6 | C5 | C3 | C2 | 49.0° | 50.5° |
| C5 | C3 | C4 | C22 | 62.1° | 69.9° |
| C3 | C5 | C6 | O2 | 57.0° | 89.9° |
| C5 | C3 | O1 | C4 | 117.1° | 118.9° |
| C5 | C3 | O1 | C2 | 113.8° | 120.6° |
| C5 | C3 | C4 | C2 | 118.5° | 119.8° |
| C5 | C3 | C2 | C1 | 59.2° | 178.6° |
| C5 | C3 | C2 | H4 | 61.7° | 61.4° |
| C5 | C3 | C2 | H5 | 180.0° | 58.6° |
| C5 | C3 | C4 | H6 | 57.5° | 170.4° |
| C5 | C3 | C4 | H7 | 178.4° | 49.9° |
| C5 | C3 | O1 | H8 | 180.0° | 174.8° |
| C25 | C27 | O10 | H27 | 117.4° | 120.1° |
| C27 | C25 | C26 | O9 | 119.0° | 119.9° |
| C27 | C25 | C26 | H23 | 121.0° | 120.1° |
| C27 | C25 | O9 | H23 | 119.9° | 119.9° |
| C27 | C25 | O9 | C23 | 60.8° | 61.1° |
| C27 | C25 | C26 | H24 | 180.0° | 57.7° |
| C27 | C25 | C26 | H25 | 60.0° | 62.4° |
| C27 | C25 | C26 | H26 | 60.0° | 177.7° |
| C25 | C27 | O10 | H28 | 57.3° | 60.0° |
| C25 | C27 | C28 | H29 | 59.7° | 62.8° |
| O10 | C27 | C25 | C26 | 52.0° | 57.7° |
| O10 | C27 | C25 | O9 | 66.3° | 62.3° |
| O10 | C27 | C25 | H23 | 173.1° | 177.8° |
| O10 | C27 | C28 | H29 | 177.5° | 177.2° |
| O8 | C22 | C4 | H19 | 119.6° | 119.5° |
| C22 | O8 | C23 | C24 | 91.4° | 169.5° |
| C22 | O8 | C23 | O9 | 151.0° | 70.6° |
| O8 | C22 | C4 | C3 | 60.4° | 69.1° |
| O8 | C22 | C4 | H6 | 179.9° | 50.7° |
| O8 | C22 | C4 | H7 | 59.2° | 171.2° |
| C22 | O8 | C23 | H20 | 31.6° | 49.4° |
| C4 | C22 | O8 | C23 | 73.0° | 112.8° |
| C22 | C4 | C3 | O1 | 56.7° | 49.9° |
| C22 | C4 | C3 | H6 | 119.5° | 119.7° |
| C22 | C4 | C3 | H7 | 119.6° | 119.8° |
| C22 | C4 | C3 | C2 | 179.4° | 170.4° |
| C22 | C4 | H6 | H7 | 121.3° | 120.6° |
| O8 | C23 | O9 | C25 | 60.6° | 58.9° |
| O8 | C23 | C24 | O9 | 113.1° | 120.0° |
| O8 | C23 | C24 | H20 | 123.4° | 120.0° |
| O8 | C23 | O9 | H20 | 119.2° | 120.0° |
| C23 | O8 | C22 | H19 | 45.5° | 6.7° |
| O8 | C23 | C24 | H21 | 59.8° | 177.7° |
| O8 | C23 | C24 | H22 | 179.2° | 57.6° |
| O2 | C6 | C5 | H9 | 170.5° | 150.7° |
| C26 | C25 | O9 | H23 | 119.3° | 120.1° |
| C26 | C25 | O9 | C23 | 178.4° | 178.9° |
| C25 | C26 | H24 | H25 | 120.0° | 120.0° |
| C25 | C26 | H24 | H26 | 120.0° | 120.0° |
| C25 | C26 | H25 | H26 | 120.0° | 120.0° |
| C26 | C25 | C27 | H27 | 65.8° | 62.5° |
| C25 | O9 | C23 | C24 | 57.4° | 61.2° |
| C25 | O9 | C23 | H20 | 179.8° | 178.9° |
| O9 | C25 | C26 | H24 | 61.0° | 62.2° |
| O9 | C25 | C26 | H25 | 59.0° | 177.7° |
| O9 | C25 | C26 | H26 | 179.0° | 57.8° |
| O9 | C25 | C27 | H27 | 175.9° | 177.5° |
| C24 | C23 | O9 | H20 | 122.8° | 120.0° |
| C23 | C24 | H21 | H22 | 119.1° | 120.1° |
| C23 | C24 | C28 | H29 | 62.6° | 62.9° |
| O1 | C3 | C4 | C2 | 122.7° | 120.5° |
| O1 | C3 | C2 | C1 | 56.4° | 58.0° |
| O1 | C3 | C2 | H4 | 177.2° | 178.0° |
| O1 | C3 | C2 | H5 | 64.5° | 62.0° |
| O1 | C3 | C4 | H6 | 176.2° | 69.8° |
| O1 | C3 | C4 | H7 | 62.9° | 169.7° |
| O1 | C3 | C5 | H9 | 48.0° | 51.6° |
| O9 | C23 | C24 | H21 | 173.0° | 62.3° |
| O9 | C23 | C24 | H22 | 67.6° | 177.6° |
| C23 | O9 | C25 | H23 | 59.1° | 58.8° |
| C4 | C3 | C2 | C1 | 177.5° | 62.5° |
| C4 | C3 | C2 | H4 | 56.6° | 57.5° |
| C4 | C3 | C2 | H5 | 61.6° | 177.5° |
| C3 | C4 | H6 | H7 | 121.3° | 120.5° |
| C4 | C3 | O1 | H8 | 62.9° | 55.9° |
| C4 | C3 | C5 | H9 | 169.1° | 171.3° |
| C3 | C4 | C22 | H19 | 180.0° | 171.5° |
| C3 | C2 | C1 | H4 | 120.9° | 120.0° |
| C3 | C2 | C1 | H5 | 120.8° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 174.2° |
| C3 | C2 | C1 | H2 | 60.0° | 65.7° |
| C3 | C2 | C1 | H3 | 60.0° | 54.2° |
| C3 | C2 | H4 | H5 | 117.3° | 120.0° |
| C2 | C3 | C4 | H6 | 61.1° | 50.7° |
| C2 | C3 | C4 | H7 | 59.8° | 69.8° |
| C2 | C3 | O1 | H8 | 66.2° | 64.6° |
| C2 | C3 | C5 | H9 | 65.4° | 68.9° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 117.3° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.1° | 65.8° |
| H1 | C1 | C2 | H5 | 59.1° | 54.2° |
| H2 | C1 | C2 | H4 | 179.2° | 54.3° |
| H2 | C1 | C2 | H5 | 60.9° | 174.2° |
| H3 | C1 | C2 | H4 | 60.9° | 174.2° |
| H3 | C1 | C2 | H5 | 179.1° | 65.8° |
| H6 | C4 | C22 | H19 | 60.5° | 68.8° |
| H7 | C4 | C22 | H19 | 60.4° | 51.7° |
| H10 | C7 | H11 | H12 | 119.9° | 120.0° |
| H14 | C13 | C14 | H15 | 0.2° | 0.1° |
| H15 | C14 | C15 | H16 | 0.4° | 0.1° |
| H20 | C23 | C24 | H21 | 63.6° | 57.7° |
| H20 | C23 | C24 | H22 | 55.8° | 62.4° |
| H21 | C24 | C28 | H29 | 57.7° | 177.2° |
| H22 | C24 | C28 | H29 | 177.2° | 57.0° |
| H23 | C25 | C26 | H24 | 59.0° | 177.8° |
| H23 | C25 | C26 | H25 | 179.0° | 57.7° |
| H23 | C25 | C26 | H26 | 61.0° | 62.2° |
| H23 | C25 | C27 | H27 | 55.2° | 57.6° |
| H24 | C26 | H25 | H26 | 119.9° | 120.0° |
| H27 | C27 | O10 | H28 | 60.1° | 60.1° |
| H27 | C27 | C28 | H29 | 57.0° | 57.0° |
| H31 | C29 | H32 | H33 | 120.0° | 120.0° |
| H34 | C30 | H35 | H36 | 120.0° | 120.0° |
