WEW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N2 | sing | 1.47Å | 1.45Å | |
| O2 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | N2 | sing | 1.35Å | 1.34Å | |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| O4 | C26 | sing | 1.43Å | 1.44Å | |
| O4 | C25 | sing | 1.36Å | 1.38Å | |
| C28 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.47Å | |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C5 | N1 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C29 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| CL1 | C17 | sing | 1.74Å | 1.74Å | |
| N1 | C8 | sing | 1.47Å | 1.47Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C27 | O5 | sing | 1.43Å | 1.44Å | |
| C24 | O5 | sing | 1.36Å | 1.38Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C18 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.49Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.38Å | |
| C16 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å | |
| C12 | H30 | sing | 1.08Å | 1.08Å | |
| C13 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C11 | C10 | 111.3° | 109.5° |
| O3 | C11 | H27 | 109.0° | 109.4° |
| O3 | C11 | H28 | 109.0° | 109.4° |
| C11 | O3 | H29 | 109.5° | 114.0° |
| C11 | C10 | N2 | 112.8° | 109.5° |
| C11 | C10 | H25 | 108.6° | 109.5° |
| C11 | C10 | H26 | 108.6° | 109.5° |
| C10 | C11 | H27 | 109.0° | 109.5° |
| C10 | C11 | H28 | 109.0° | 109.5° |
| C10 | N2 | C9 | 123.2° | 120.0° |
| C10 | N2 | H24 | 118.4° | 120.0° |
| N2 | C10 | H25 | 108.6° | 109.5° |
| N2 | C10 | H26 | 108.6° | 109.4° |
| O2 | C9 | N2 | 122.7° | 120.0° |
| O2 | C9 | C7 | 121.7° | 120.0° |
| N2 | C9 | C7 | 115.5° | 120.0° |
| C9 | N2 | H24 | 118.4° | 120.0° |
| C9 | C7 | C6 | 114.5° | 110.7° |
| C9 | C7 | C8 | 114.8° | 110.7° |
| C9 | C7 | H21 | 108.6° | 110.8° |
| C26 | O4 | C25 | 112.8° | 116.7° |
| O4 | C26 | C27 | 111.8° | 108.3° |
| O4 | C26 | H6 | 108.9° | 109.7° |
| O4 | C26 | H7 | 108.9° | 109.7° |
| O4 | C25 | C28 | 118.5° | 119.3° |
| O4 | C25 | C24 | 121.4° | 120.8° |
| C25 | C28 | C29 | 119.5° | 120.3° |
| C28 | C25 | C24 | 120.1° | 120.0° |
| C25 | C28 | H10 | 120.2° | 119.9° |
| C28 | C29 | C22 | 121.4° | 120.0° |
| C29 | C28 | H10 | 120.2° | 119.9° |
| C28 | C29 | H32 | 119.3° | 120.0° |
| C26 | C27 | O5 | 110.3° | 108.2° |
| C27 | C26 | H6 | 108.9° | 109.7° |
| C27 | C26 | H7 | 108.9° | 109.7° |
| C26 | C27 | H8 | 109.3° | 109.7° |
| C26 | C27 | H9 | 109.2° | 109.7° |
| C25 | C24 | O5 | 122.7° | 120.7° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C6 | C5 | N1 | 105.6° | 104.8° |
| C5 | C6 | C7 | 104.5° | 101.7° |
| C6 | C5 | H17 | 110.4° | 110.4° |
| C6 | C5 | H18 | 110.4° | 110.4° |
| C5 | C6 | H19 | 110.7° | 110.9° |
| C5 | C6 | H20 | 110.7° | 111.0° |
| C5 | N1 | C8 | 109.3° | 108.6° |
| C5 | N1 | C4 | 113.0° | 111.0° |
| N1 | C5 | H17 | 110.4° | 110.4° |
| N1 | C5 | H18 | 110.4° | 110.4° |
| C6 | C7 | C8 | 101.7° | 103.0° |
| C7 | C6 | H19 | 110.7° | 111.0° |
| C7 | C6 | H20 | 110.7° | 111.0° |
| C6 | C7 | H21 | 108.4° | 110.7° |
| C29 | C22 | C23 | 118.0° | 119.9° |
| C29 | C22 | C18 | 122.0° | 120.0° |
| C22 | C29 | H32 | 119.3° | 120.0° |
| C7 | C8 | N1 | 105.5° | 107.2° |
| C8 | C7 | H21 | 108.5° | 110.7° |
| C7 | C8 | H22 | 110.4° | 109.9° |
| C7 | C8 | H23 | 110.4° | 109.8° |
| CL1 | C17 | C18 | 118.7° | 120.2° |
| CL1 | C17 | C16 | 120.1° | 120.1° |
| C8 | N1 | C4 | 113.6° | 111.0° |
| N1 | C8 | H22 | 110.4° | 109.9° |
| N1 | C8 | H23 | 110.4° | 109.9° |
| N1 | C4 | C3 | 116.5° | 109.5° |
| N1 | C4 | H14 | 107.7° | 109.5° |
| N1 | C4 | H15 | 107.7° | 109.5° |
| C27 | O5 | C24 | 113.2° | 116.8° |
| O5 | C27 | H8 | 109.3° | 109.7° |
| O5 | C27 | H9 | 109.2° | 109.7° |
| O5 | C24 | C23 | 117.2° | 119.3° |
| C24 | C23 | C22 | 120.9° | 120.0° |
| C24 | C23 | H5 | 119.6° | 120.0° |
| C23 | C22 | C18 | 119.9° | 120.1° |
| C22 | C23 | H5 | 119.5° | 120.0° |
| C22 | C18 | C17 | 123.1° | 120.0° |
| C22 | C18 | C19 | 118.2° | 120.1° |
| C13 | C12 | C3 | 121.3° | 120.2° |
| C12 | C13 | C14 | 120.9° | 120.0° |
| C13 | C12 | H30 | 119.4° | 119.9° |
| C12 | C13 | H31 | 119.5° | 120.1° |
| C12 | C3 | C4 | 122.6° | 119.9° |
| C12 | C3 | C2 | 117.8° | 120.2° |
| C3 | C12 | H30 | 119.4° | 119.9° |
| C4 | C3 | C2 | 119.6° | 119.9° |
| C3 | C4 | H14 | 107.7° | 109.5° |
| C3 | C4 | H15 | 107.7° | 109.5° |
| C18 | C17 | C16 | 121.2° | 119.7° |
| C17 | C18 | C19 | 118.7° | 119.9° |
| C17 | C16 | C14 | 124.3° | 120.1° |
| C17 | C16 | C21 | 118.4° | 119.9° |
| C13 | C14 | C16 | 123.7° | 120.1° |
| C13 | C14 | C15 | 118.2° | 119.8° |
| C14 | C13 | H31 | 119.6° | 120.0° |
| C3 | C2 | C15 | 120.9° | 120.0° |
| C3 | C2 | O1 | 115.7° | 120.0° |
| C18 | C19 | C20 | 121.1° | 120.1° |
| C18 | C19 | H2 | 119.4° | 119.9° |
| C16 | C14 | C15 | 118.1° | 120.1° |
| C14 | C16 | C21 | 117.3° | 120.0° |
| C14 | C15 | C2 | 121.0° | 119.9° |
| C14 | C15 | H1 | 119.5° | 120.0° |
| C15 | C2 | O1 | 123.4° | 120.0° |
| C2 | C15 | H1 | 119.5° | 120.1° |
| C2 | O1 | C1 | 120.2° | 117.0° |
| C16 | C21 | C20 | 121.2° | 120.1° |
| C16 | C21 | H4 | 119.4° | 120.0° |
| O1 | C1 | H11 | 109.5° | 109.5° |
| O1 | C1 | H12 | 109.5° | 109.5° |
| O1 | C1 | H13 | 109.5° | 109.5° |
| C19 | C20 | C21 | 119.4° | 120.3° |
| C20 | C19 | H2 | 119.4° | 119.9° |
| C19 | C20 | H3 | 120.3° | 119.8° |
| C21 | C20 | H3 | 120.3° | 119.9° |
| C20 | C21 | H4 | 119.4° | 119.9° |
| H6 | C26 | H7 | 109.5° | 109.7° |
| H8 | C27 | H9 | 109.5° | 109.8° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.4° | 109.4° |
| H17 | C5 | H18 | 109.5° | 110.4° |
| H19 | C6 | H20 | 109.5° | 110.9° |
| H22 | C8 | H23 | 109.5° | 110.1° |
| H25 | C10 | H26 | 109.5° | 109.5° |
| H27 | C11 | H28 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C11 | C10 | H27 | 120.3° | 120.0° |
| O3 | C11 | C10 | H28 | 120.3° | 120.0° |
| O3 | C11 | C10 | N2 | 172.8° | 65.0° |
| O3 | C11 | C10 | H25 | 52.3° | 55.0° |
| O3 | C11 | C10 | H26 | 66.8° | 175.0° |
| O3 | C11 | H27 | H28 | 119.2° | 119.9° |
| C11 | C10 | N2 | H25 | 120.5° | 120.0° |
| C11 | C10 | N2 | H26 | 120.5° | 120.0° |
| C11 | C10 | N2 | C9 | 87.5° | 180.0° |
| C11 | C10 | N2 | H24 | 92.5° | 0.0° |
| C11 | C10 | H25 | H26 | 118.5° | 120.0° |
| C10 | C11 | H27 | H28 | 119.2° | 120.1° |
| C10 | C11 | O3 | H29 | 180.0° | 180.0° |
| C10 | N2 | C9 | O2 | 3.2° | 0.1° |
| C10 | N2 | C9 | H24 | 180.0° | 180.0° |
| C10 | N2 | C9 | C7 | 175.6° | 180.0° |
| N2 | C10 | H25 | H26 | 118.5° | 119.9° |
| N2 | C10 | C11 | H27 | 66.9° | 175.0° |
| N2 | C10 | C11 | H28 | 52.5° | 55.0° |
| O2 | C9 | N2 | C7 | 178.8° | 179.9° |
| O2 | C9 | C7 | C6 | 28.0° | 118.5° |
| O2 | C9 | C7 | C8 | 89.1° | 5.0° |
| O2 | C9 | C7 | H21 | 149.3° | 118.2° |
| O2 | C9 | N2 | H24 | 176.8° | 180.0° |
| N2 | C9 | C7 | C6 | 153.2° | 61.5° |
| N2 | C9 | C7 | C8 | 89.7° | 175.1° |
| N2 | C9 | C7 | H21 | 31.9° | 61.7° |
| C9 | N2 | C10 | H25 | 152.0° | 59.9° |
| C9 | N2 | C10 | H26 | 33.0° | 60.0° |
| C9 | C7 | C6 | C5 | 89.1° | 154.0° |
| C9 | C7 | C6 | C8 | 124.4° | 118.3° |
| C9 | C7 | C6 | H21 | 121.4° | 123.3° |
| C9 | C7 | C8 | H21 | 121.7° | 123.3° |
| C9 | C7 | C8 | N1 | 90.0° | 140.6° |
| C9 | C7 | C6 | H19 | 151.7° | 87.9° |
| C9 | C7 | C6 | H20 | 30.1° | 35.9° |
| C9 | C7 | C8 | H22 | 150.6° | 21.2° |
| C9 | C7 | C8 | H23 | 29.3° | 100.0° |
| C7 | C9 | N2 | H24 | 4.4° | 0.1° |
| C26 | O4 | C25 | C28 | 164.2° | 162.8° |
| O4 | C26 | C27 | H6 | 120.3° | 119.7° |
| O4 | C26 | C27 | H7 | 120.4° | 119.7° |
| C26 | O4 | C25 | C24 | 16.1° | 17.3° |
| O4 | C26 | C27 | O5 | 61.3° | 59.8° |
| O4 | C26 | H6 | H7 | 118.9° | 120.6° |
| O4 | C26 | C27 | H8 | 178.5° | 59.9° |
| O4 | C26 | C27 | H9 | 58.8° | 179.5° |
| O4 | C25 | C28 | C24 | 179.7° | 179.9° |
| O4 | C25 | C28 | C29 | 179.7° | 179.4° |
| C25 | O4 | C26 | C27 | 46.0° | 46.3° |
| O4 | C25 | C24 | O5 | 0.4° | 0.3° |
| O4 | C25 | C24 | C23 | 179.8° | 179.7° |
| C25 | O4 | C26 | H6 | 74.4° | 73.4° |
| C25 | O4 | C26 | H7 | 166.3° | 166.0° |
| O4 | C25 | C28 | H10 | 0.3° | 0.2° |
| C25 | C28 | C29 | H10 | 180.0° | 179.6° |
| C25 | C28 | C29 | C22 | 0.5° | 0.6° |
| C28 | C25 | C24 | O5 | 179.9° | 179.8° |
| C28 | C25 | C24 | C23 | 0.1° | 0.2° |
| C25 | C28 | C29 | H32 | 179.5° | 180.0° |
| C29 | C28 | C25 | C24 | 0.0° | 0.5° |
| C28 | C29 | C22 | H32 | 180.0° | 179.3° |
| C28 | C29 | C22 | C23 | 0.9° | 0.6° |
| C28 | C29 | C22 | C18 | 178.9° | 179.8° |
| C26 | C27 | O5 | H8 | 120.1° | 119.7° |
| C26 | C27 | O5 | H9 | 120.1° | 119.7° |
| C26 | C27 | O5 | C24 | 44.3° | 46.2° |
| C27 | C26 | H6 | H7 | 119.0° | 120.6° |
| C26 | C27 | H8 | H9 | 119.6° | 120.6° |
| C25 | C24 | O5 | C27 | 15.3° | 17.2° |
| C25 | C24 | O5 | C23 | 179.9° | 180.0° |
| C25 | C24 | C23 | C22 | 0.4° | 0.1° |
| C25 | C24 | C23 | H5 | 179.6° | 179.9° |
| C24 | C25 | C28 | H10 | 180.0° | 179.9° |
| C6 | C5 | N1 | H17 | 119.4° | 118.8° |
| C6 | C5 | N1 | H18 | 119.4° | 118.9° |
| C5 | C6 | C7 | H19 | 119.2° | 118.1° |
| C5 | C6 | C7 | H20 | 119.2° | 118.1° |
| C5 | C6 | C7 | C8 | 35.3° | 35.7° |
| C6 | C5 | N1 | C8 | 2.3° | 24.1° |
| C6 | C5 | N1 | C4 | 125.2° | 146.3° |
| C6 | C5 | H17 | H18 | 121.8° | 122.3° |
| C5 | C6 | H19 | H20 | 122.3° | 123.8° |
| C5 | C6 | C7 | H21 | 149.5° | 82.7° |
| N1 | C5 | C6 | C7 | 23.9° | 37.1° |
| C5 | N1 | C8 | C7 | 20.3° | 1.0° |
| C5 | N1 | C8 | C4 | 127.2° | 122.3° |
| C5 | N1 | C4 | C3 | 144.4° | 69.1° |
| C5 | N1 | C4 | H14 | 23.4° | 170.9° |
| C5 | N1 | C4 | H15 | 94.5° | 50.9° |
| N1 | C5 | H17 | H18 | 121.8° | 122.3° |
| N1 | C5 | C6 | H19 | 95.3° | 155.2° |
| N1 | C5 | C6 | H20 | 143.1° | 81.1° |
| C5 | N1 | C8 | H22 | 99.0° | 120.3° |
| C5 | N1 | C8 | H23 | 139.7° | 118.4° |
| C6 | C7 | C8 | H21 | 114.1° | 118.4° |
| C6 | C7 | C8 | N1 | 34.2° | 22.3° |
| C7 | C6 | C5 | H17 | 95.5° | 81.7° |
| C7 | C6 | C5 | H18 | 143.3° | 155.9° |
| C7 | C6 | H19 | H20 | 122.3° | 123.9° |
| C6 | C7 | C8 | H22 | 85.2° | 97.1° |
| C6 | C7 | C8 | H23 | 153.5° | 141.7° |
| C29 | C22 | C23 | C24 | 0.8° | 0.3° |
| C29 | C22 | C23 | C18 | 178.0° | 179.7° |
| C29 | C22 | C18 | C17 | 66.1° | 50.3° |
| C29 | C22 | C18 | C19 | 115.3° | 129.7° |
| C29 | C22 | C23 | H5 | 179.2° | 179.7° |
| C22 | C29 | C28 | H10 | 179.5° | 179.8° |
| C7 | C8 | N1 | H22 | 119.4° | 119.4° |
| C7 | C8 | N1 | H23 | 119.4° | 119.3° |
| C7 | C8 | N1 | C4 | 147.5° | 123.3° |
| C8 | C7 | C6 | H19 | 83.9° | 153.7° |
| C8 | C7 | C6 | H20 | 154.5° | 82.4° |
| C7 | C8 | H22 | H23 | 121.8° | 121.1° |
| CL1 | C17 | C18 | C22 | 1.5° | 0.0° |
| CL1 | C17 | C18 | C16 | 179.0° | 180.0° |
| CL1 | C17 | C18 | C19 | 179.9° | 180.0° |
| CL1 | C17 | C16 | C14 | 0.2° | 0.3° |
| CL1 | C17 | C16 | C21 | 179.4° | 180.0° |
| C8 | N1 | C4 | C3 | 90.3° | 170.0° |
| C8 | N1 | C4 | H14 | 148.6° | 50.0° |
| C8 | N1 | C4 | H15 | 30.7° | 70.0° |
| C8 | N1 | C5 | H17 | 117.1° | 94.7° |
| C8 | N1 | C5 | H18 | 121.7° | 143.0° |
| N1 | C8 | C7 | H21 | 148.3° | 96.1° |
| N1 | C8 | H22 | H23 | 121.8° | 121.2° |
| N1 | C4 | C3 | C12 | 32.2° | 100.0° |
| N1 | C4 | C3 | H14 | 121.0° | 120.0° |
| N1 | C4 | C3 | H15 | 121.0° | 120.0° |
| N1 | C4 | C3 | C2 | 149.4° | 80.0° |
| N1 | C4 | H14 | H15 | 116.8° | 120.0° |
| C4 | N1 | C5 | H17 | 115.4° | 27.5° |
| C4 | N1 | C5 | H18 | 5.8° | 94.8° |
| C4 | N1 | C8 | H22 | 28.1° | 117.4° |
| C4 | N1 | C8 | H23 | 93.2° | 3.9° |
| C27 | O5 | C24 | C23 | 164.8° | 162.8° |
| O5 | C27 | C26 | H6 | 59.0° | 59.9° |
| O5 | C27 | C26 | H7 | 178.3° | 179.5° |
| O5 | C27 | H8 | H9 | 119.6° | 120.6° |
| O5 | C24 | C23 | C22 | 179.5° | 179.9° |
| O5 | C24 | C23 | H5 | 0.5° | 0.1° |
| C24 | O5 | C27 | H8 | 164.4° | 73.5° |
| C24 | O5 | C27 | H9 | 75.8° | 165.8° |
| C24 | C23 | C22 | H5 | 180.0° | 180.0° |
| C24 | C23 | C22 | C18 | 178.9° | 180.0° |
| C23 | C22 | C18 | C17 | 116.0° | 130.0° |
| C23 | C22 | C18 | C19 | 62.6° | 50.0° |
| C23 | C22 | C29 | H32 | 179.1° | 179.9° |
| C22 | C18 | C17 | C19 | 178.6° | 180.0° |
| C22 | C18 | C17 | C16 | 179.4° | 180.0° |
| C22 | C18 | C19 | C20 | 179.6° | 180.0° |
| C22 | C18 | C19 | H2 | 0.4° | 0.0° |
| C18 | C22 | C23 | H5 | 1.1° | 0.0° |
| C18 | C22 | C29 | H32 | 1.2° | 0.4° |
| C13 | C12 | C3 | H30 | 180.0° | 179.7° |
| C13 | C12 | C3 | C4 | 179.4° | 180.0° |
| C12 | C13 | C14 | H31 | 180.0° | 179.8° |
| C13 | C12 | C3 | C2 | 1.0° | 0.0° |
| C12 | C13 | C14 | C16 | 178.4° | 180.0° |
| C12 | C13 | C14 | C15 | 1.3° | 0.5° |
| C12 | C3 | C4 | C2 | 178.4° | 180.0° |
| C3 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C3 | C2 | C15 | 0.7° | 0.0° |
| C12 | C3 | C2 | O1 | 179.6° | 180.0° |
| C12 | C3 | C4 | H14 | 153.2° | 20.1° |
| C12 | C3 | C4 | H15 | 88.8° | 140.0° |
| C3 | C12 | C13 | H31 | 180.0° | 179.9° |
| C4 | C3 | C2 | C15 | 179.2° | 179.9° |
| C4 | C3 | C2 | O1 | 1.1° | 0.0° |
| C3 | C4 | H14 | H15 | 116.8° | 120.0° |
| C4 | C3 | C12 | H30 | 0.6° | 0.3° |
| C18 | C17 | C16 | C14 | 179.3° | 179.7° |
| C18 | C17 | C16 | C21 | 0.4° | 0.0° |
| C17 | C18 | C19 | C20 | 1.0° | 0.0° |
| C17 | C18 | C19 | H2 | 179.0° | 180.0° |
| C17 | C16 | C14 | C13 | 45.5° | 49.7° |
| C16 | C17 | C18 | C19 | 0.9° | 0.0° |
| C17 | C16 | C14 | C21 | 179.7° | 179.7° |
| C17 | C16 | C14 | C15 | 137.4° | 129.7° |
| C17 | C16 | C21 | C20 | 0.0° | 0.0° |
| C17 | C16 | C21 | H4 | 180.0° | 180.0° |
| C13 | C14 | C16 | C15 | 177.1° | 179.5° |
| C13 | C14 | C15 | C2 | 1.6° | 0.5° |
| C13 | C14 | C16 | C21 | 134.8° | 130.0° |
| C13 | C14 | C15 | H1 | 178.4° | 179.8° |
| C14 | C13 | C12 | H30 | 180.0° | 180.0° |
| C3 | C2 | C15 | C14 | 0.6° | 0.2° |
| C3 | C2 | C15 | O1 | 179.7° | 180.0° |
| C3 | C2 | O1 | C1 | 178.6° | 180.0° |
| C3 | C2 | C15 | H1 | 179.4° | 179.9° |
| C2 | C3 | C4 | H14 | 28.3° | 160.0° |
| C2 | C3 | C4 | H15 | 89.6° | 40.0° |
| C2 | C3 | C12 | H30 | 179.0° | 179.7° |
| C18 | C19 | C20 | H2 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.1° |
| C18 | C19 | C20 | H3 | 179.4° | 180.0° |
| C16 | C14 | C15 | C2 | 178.9° | 180.0° |
| C14 | C16 | C21 | C20 | 179.7° | 179.8° |
| C16 | C14 | C15 | H1 | 1.2° | 0.3° |
| C14 | C16 | C21 | H4 | 0.3° | 0.3° |
| C16 | C14 | C13 | H31 | 1.6° | 0.2° |
| C14 | C15 | C2 | H1 | 180.0° | 179.7° |
| C14 | C15 | C2 | O1 | 179.1° | 179.8° |
| C15 | C14 | C16 | C21 | 42.3° | 50.5° |
| C15 | C14 | C13 | H31 | 178.7° | 179.7° |
| C15 | C2 | O1 | C1 | 1.2° | 0.0° |
| O1 | C2 | C15 | H1 | 0.9° | 0.0° |
| C2 | O1 | C1 | H11 | 180.0° | 60.0° |
| C2 | O1 | C1 | H12 | 60.0° | 180.0° |
| C2 | O1 | C1 | H13 | 60.0° | 60.0° |
| C16 | C21 | C20 | C19 | 0.1° | 0.1° |
| C16 | C21 | C20 | H4 | 180.0° | 179.9° |
| C16 | C21 | C20 | H3 | 179.9° | 180.0° |
| O1 | C1 | H11 | H12 | 120.0° | 120.0° |
| O1 | C1 | H11 | H13 | 120.0° | 120.0° |
| O1 | C1 | H12 | H13 | 120.0° | 120.1° |
| C19 | C20 | C21 | H3 | 180.0° | 180.0° |
| C19 | C20 | C21 | H4 | 179.9° | 180.0° |
| C21 | C20 | C19 | H2 | 179.4° | 180.0° |
| H2 | C19 | C20 | H3 | 0.6° | 0.0° |
| H3 | C20 | C21 | H4 | 0.1° | 0.0° |
| H6 | C26 | C27 | H8 | 61.2° | 179.6° |
| H6 | C26 | C27 | H9 | 179.1° | 59.8° |
| H7 | C26 | C27 | H8 | 58.2° | 59.8° |
| H7 | C26 | C27 | H9 | 61.6° | 60.8° |
| H10 | C28 | C29 | H32 | 0.4° | 0.4° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H17 | C5 | C6 | H19 | 145.3° | 36.4° |
| H17 | C5 | C6 | H20 | 23.7° | 160.1° |
| H18 | C5 | C6 | H19 | 24.1° | 85.9° |
| H18 | C5 | C6 | H20 | 97.5° | 37.8° |
| H19 | C6 | C7 | H21 | 30.3° | 35.4° |
| H20 | C6 | C7 | H21 | 91.3° | 159.2° |
| H21 | C7 | C8 | H22 | 29.0° | 144.5° |
| H21 | C7 | C8 | H23 | 92.3° | 23.3° |
| H24 | N2 | C10 | H25 | 28.0° | 120.0° |
| H24 | N2 | C10 | H26 | 147.1° | 120.0° |
| H25 | C10 | C11 | H27 | 172.6° | 65.0° |
| H25 | C10 | C11 | H28 | 68.0° | 175.0° |
| H26 | C10 | C11 | H27 | 53.5° | 55.0° |
| H26 | C10 | C11 | H28 | 173.0° | 65.0° |
| H27 | C11 | O3 | H29 | 59.7° | 60.0° |
| H28 | C11 | O3 | H29 | 59.7° | 60.0° |
| H30 | C12 | C13 | H31 | 0.0° | 0.3° |
