21L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C3 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C3 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C9 | doub | 1.41Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.41Å | 1.38Å | Aromatic |
| C5 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C13 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.38Å | Aromatic |
| C9 | C13 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | C14 | doub | 1.40Å | 1.37Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C22 | sing | 1.47Å | 1.47Å | |
| C11 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C25 | sing | 1.51Å | 1.48Å | |
| C12 | C30 | sing | 1.51Å | 1.49Å | |
| C13 | C31 | sing | 1.51Å | 1.49Å | |
| C14 | O38 | sing | 1.37Å | 1.38Å | |
| C15 | O41 | sing | 1.36Å | 1.39Å | |
| C16 | O39 | sing | 1.36Å | 1.38Å | |
| C17 | C19 | sing | 1.40Å | 1.43Å | |
| C17 | C20 | doub | 1.34Å | 1.33Å | |
| C18 | C19 | doub | 1.41Å | 1.34Å | |
| C18 | C21 | sing | 1.42Å | 1.48Å | |
| C18 | C23 | sing | 1.41Å | 1.47Å | |
| C19 | O40 | sing | 1.35Å | 1.37Å | |
| C20 | C25 | sing | 1.53Å | 1.48Å | |
| C20 | O38 | sing | 1.35Å | 1.38Å | |
| C21 | C25 | sing | 1.51Å | 1.50Å | |
| C21 | O34 | doub | 1.21Å | 1.22Å | |
| C22 | N33 | sing | 1.35Å | 1.37Å | |
| C22 | O35 | doub | 1.22Å | 1.22Å | |
| C23 | C26 | sing | 1.51Å | 1.50Å | |
| C23 | O36 | doub | 1.21Å | 1.22Å | |
| C24 | C32 | sing | 1.51Å | 1.50Å | |
| C24 | O37 | doub | 1.21Å | 1.22Å | |
| C24 | O42 | sing | 1.34Å | 1.36Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C28 | O41 | sing | 1.43Å | 1.42Å | |
| C29 | O42 | sing | 1.45Å | 1.42Å | |
| C30 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | N33 | sing | 1.47Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| O39 | HO39 | sing | 0.97Å | 0.95Å | |
| O40 | HO40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.8° | 121.0° |
| C1 | C2 | C4 | 120.0° | 121.0° |
| C2 | C1 | H1 | 120.1° | 119.5° |
| C1 | C2 | H2 | 120.0° | 119.5° |
| C1 | C3 | C8 | 120.2° | 119.6° |
| C3 | C1 | H1 | 120.1° | 119.6° |
| C1 | C3 | H3 | 119.9° | 120.1° |
| C2 | C4 | C9 | 120.7° | 119.6° |
| C4 | C2 | H2 | 120.0° | 119.5° |
| C2 | C4 | H4 | 119.7° | 120.1° |
| C3 | C8 | C5 | 118.9° | 121.3° |
| C3 | C8 | C9 | 120.4° | 119.4° |
| C8 | C3 | H3 | 119.9° | 120.2° |
| C4 | C9 | C8 | 118.9° | 119.4° |
| C4 | C9 | C13 | 121.9° | 121.3° |
| C9 | C4 | H4 | 119.6° | 120.2° |
| C8 | C5 | C12 | 120.1° | 119.7° |
| C5 | C8 | C9 | 120.6° | 119.3° |
| C8 | C5 | H5 | 119.9° | 120.2° |
| C5 | C12 | C6 | 119.3° | 121.0° |
| C5 | C12 | C30 | 121.0° | 119.5° |
| C12 | C5 | H5 | 120.0° | 120.1° |
| C12 | C6 | C13 | 120.9° | 121.0° |
| C6 | C12 | C30 | 119.7° | 119.5° |
| C12 | C6 | H6 | 119.6° | 119.5° |
| C6 | C13 | C9 | 119.9° | 119.6° |
| C6 | C13 | C31 | 117.8° | 120.2° |
| C13 | C6 | H6 | 119.5° | 119.5° |
| C15 | C7 | C16 | 119.7° | 119.9° |
| C7 | C15 | C10 | 120.0° | 120.2° |
| C7 | C15 | O41 | 122.6° | 119.9° |
| C15 | C7 | H7 | 120.1° | 120.0° |
| C7 | C16 | C11 | 120.1° | 120.3° |
| C7 | C16 | O39 | 119.4° | 119.9° |
| C16 | C7 | H7 | 120.1° | 120.0° |
| C8 | C9 | C13 | 119.2° | 119.4° |
| C9 | C13 | C31 | 122.3° | 120.2° |
| C14 | C10 | C15 | 119.3° | 119.8° |
| C14 | C10 | C22 | 119.5° | 120.1° |
| C10 | C14 | C11 | 121.1° | 118.9° |
| C10 | C14 | O38 | 126.7° | 131.3° |
| C15 | C10 | C22 | 121.2° | 120.1° |
| C10 | C15 | O41 | 117.4° | 119.9° |
| C10 | C22 | N33 | 113.6° | 120.0° |
| C10 | C22 | O35 | 119.6° | 120.0° |
| C14 | C11 | C16 | 119.8° | 120.9° |
| C14 | C11 | C25 | 108.6° | 104.5° |
| C11 | C14 | O38 | 112.3° | 109.8° |
| C16 | C11 | C25 | 131.6° | 134.7° |
| C11 | C16 | O39 | 120.6° | 119.9° |
| C11 | C25 | C20 | 98.0° | 100.1° |
| C11 | C25 | C21 | 120.1° | 110.1° |
| C11 | C25 | C27 | 109.6° | 109.7° |
| C12 | C30 | C32 | 111.6° | 109.5° |
| C12 | C30 | H30 | 109.0° | 109.5° |
| C12 | C30 | H30A | 108.9° | 109.5° |
| C13 | C31 | N33 | 108.1° | 109.5° |
| C13 | C31 | H31 | 109.8° | 109.5° |
| C13 | C31 | H31A | 109.8° | 109.6° |
| C14 | O38 | C20 | 102.8° | 107.8° |
| C15 | O41 | C28 | 109.1° | 117.0° |
| C16 | O39 | HO39 | 109.5° | 114.0° |
| C19 | C17 | C20 | 119.3° | 121.3° |
| C17 | C19 | C18 | 121.5° | 122.4° |
| C17 | C19 | O40 | 114.0° | 118.8° |
| C19 | C17 | H17 | 120.4° | 119.3° |
| C17 | C20 | C25 | 123.5° | 119.0° |
| C17 | C20 | O38 | 125.3° | 138.6° |
| C20 | C17 | H17 | 120.4° | 119.4° |
| C19 | C18 | C21 | 117.8° | 120.4° |
| C19 | C18 | C23 | 118.7° | 119.8° |
| C18 | C19 | O40 | 124.4° | 118.8° |
| C21 | C18 | C23 | 123.4° | 119.8° |
| C18 | C21 | C25 | 116.6° | 116.9° |
| C18 | C21 | O34 | 120.8° | 121.6° |
| C18 | C23 | C26 | 117.1° | 120.0° |
| C18 | C23 | O36 | 120.3° | 120.0° |
| C19 | O40 | HO40 | 109.5° | 117.0° |
| C25 | C20 | O38 | 111.2° | 102.1° |
| C20 | C25 | C21 | 109.1° | 116.3° |
| C20 | C25 | C27 | 110.8° | 109.9° |
| C25 | C21 | O34 | 122.5° | 121.5° |
| C21 | C25 | C27 | 108.8° | 110.2° |
| N33 | C22 | O35 | 126.8° | 120.0° |
| C22 | N33 | C31 | 120.4° | 120.1° |
| C22 | N33 | HN33 | 119.8° | 120.0° |
| C26 | C23 | O36 | 122.6° | 120.0° |
| C23 | C26 | H26 | 109.5° | 109.5° |
| C23 | C26 | H26A | 109.5° | 109.5° |
| C23 | C26 | H26B | 109.5° | 109.5° |
| C32 | C24 | O37 | 125.6° | 120.0° |
| C32 | C24 | O42 | 109.8° | 120.0° |
| C24 | C32 | C30 | 110.3° | 109.5° |
| C24 | C32 | H32 | 109.3° | 109.5° |
| C24 | C32 | H32A | 109.3° | 109.5° |
| O37 | C24 | O42 | 124.6° | 120.0° |
| C24 | O42 | C29 | 109.5° | 117.0° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.4° |
| C25 | C27 | H27B | 109.5° | 109.4° |
| O41 | C28 | H28 | 109.5° | 109.5° |
| O41 | C28 | H28A | 109.5° | 109.5° |
| O41 | C28 | H28B | 109.5° | 109.5° |
| O42 | C29 | H29 | 109.5° | 109.5° |
| O42 | C29 | H29A | 109.5° | 109.5° |
| O42 | C29 | H29B | 109.5° | 109.5° |
| C32 | C30 | H30 | 108.9° | 109.4° |
| C32 | C30 | H30A | 109.0° | 109.5° |
| C30 | C32 | H32 | 109.3° | 109.5° |
| C30 | C32 | H32A | 109.3° | 109.4° |
| N33 | C31 | H31 | 109.8° | 109.4° |
| N33 | C31 | H31A | 109.8° | 109.4° |
| C31 | N33 | HN33 | 119.8° | 120.0° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.4° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.4° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| H28 | C28 | H28B | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H29 | C29 | H29A | 109.4° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.4° |
| H30 | C30 | H30A | 109.5° | 109.4° |
| H31 | C31 | H31A | 109.5° | 109.4° |
| H32 | C32 | H32A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C4 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C8 | 0.1° | 0.0° |
| C1 | C2 | C4 | C9 | 0.1° | 0.0° |
| C2 | C1 | C3 | H3 | 179.9° | 180.0° |
| C1 | C2 | C4 | H4 | 180.0° | 180.0° |
| C3 | C1 | C2 | C4 | 0.0° | 0.0° |
| C1 | C3 | C8 | H3 | 180.0° | 180.0° |
| C1 | C3 | C8 | C5 | 180.0° | 180.0° |
| C1 | C3 | C8 | C9 | 0.0° | 0.0° |
| C3 | C1 | C2 | H2 | 180.0° | 179.9° |
| C2 | C4 | C9 | H4 | 180.0° | 179.9° |
| C2 | C4 | C9 | C8 | 0.1° | 0.0° |
| C2 | C4 | C9 | C13 | 179.9° | 180.0° |
| C4 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C8 | C9 | C4 | 0.1° | 0.0° |
| C3 | C8 | C5 | C9 | 180.0° | 180.0° |
| C3 | C8 | C5 | C12 | 179.9° | 180.0° |
| C3 | C8 | C9 | C13 | 179.9° | 180.0° |
| C8 | C3 | C1 | H1 | 179.9° | 179.8° |
| C3 | C8 | C5 | H5 | 0.2° | 0.0° |
| C4 | C9 | C8 | C5 | 179.9° | 180.0° |
| C4 | C9 | C13 | C6 | 179.8° | 180.0° |
| C4 | C9 | C8 | C13 | 180.0° | 180.0° |
| C4 | C9 | C13 | C31 | 0.6° | 0.0° |
| C9 | C4 | C2 | H2 | 179.9° | 179.9° |
| C8 | C5 | C12 | H5 | 180.0° | 180.0° |
| C8 | C5 | C12 | C6 | 0.3° | 0.0° |
| C5 | C8 | C9 | C13 | 0.1° | 0.0° |
| C8 | C5 | C12 | C30 | 179.5° | 180.0° |
| C5 | C8 | C3 | H3 | 0.1° | 0.0° |
| C5 | C12 | C6 | C30 | 179.2° | 180.0° |
| C5 | C12 | C6 | C13 | 0.4° | 0.0° |
| C12 | C5 | C8 | C9 | 0.2° | 0.0° |
| C5 | C12 | C30 | C32 | 100.1° | 90.0° |
| C5 | C12 | C6 | H6 | 179.6° | 180.0° |
| C5 | C12 | C30 | H30 | 20.2° | 150.0° |
| C5 | C12 | C30 | H30A | 139.6° | 30.1° |
| C12 | C6 | C13 | H6 | 180.0° | 180.0° |
| C12 | C6 | C13 | C9 | 0.3° | 0.0° |
| C12 | C6 | C13 | C31 | 179.6° | 180.0° |
| C6 | C12 | C30 | C32 | 80.7° | 90.0° |
| C6 | C12 | C5 | H5 | 179.7° | 180.0° |
| C6 | C12 | C30 | H30 | 159.0° | 30.0° |
| C6 | C12 | C30 | H30A | 39.7° | 150.0° |
| C6 | C13 | C9 | C8 | 0.2° | 0.0° |
| C6 | C13 | C9 | C31 | 179.2° | 180.0° |
| C13 | C6 | C12 | C30 | 179.7° | 180.0° |
| C6 | C13 | C31 | N33 | 101.5° | 100.0° |
| C6 | C13 | C31 | H31 | 138.7° | 20.0° |
| C6 | C13 | C31 | H31A | 18.3° | 140.0° |
| C15 | C7 | C16 | H7 | 180.0° | 179.7° |
| C7 | C15 | C10 | C14 | 0.2° | 0.1° |
| C7 | C15 | C10 | O41 | 179.8° | 179.9° |
| C7 | C15 | C10 | C22 | 179.7° | 179.9° |
| C15 | C7 | C16 | C11 | 0.1° | 0.2° |
| C15 | C7 | C16 | O39 | 179.9° | 179.8° |
| C7 | C15 | O41 | C28 | 21.7° | 0.1° |
| C16 | C7 | C15 | C10 | 0.0° | 0.3° |
| C7 | C16 | C11 | C14 | 0.3° | 0.1° |
| C7 | C16 | C11 | O39 | 179.9° | 179.9° |
| C7 | C16 | C11 | C25 | 179.3° | 179.3° |
| C16 | C7 | C15 | O41 | 179.8° | 179.8° |
| C7 | C16 | O39 | HO39 | 150.3° | 90.0° |
| C8 | C9 | C13 | C31 | 179.4° | 180.0° |
| C9 | C8 | C3 | H3 | 179.9° | 180.0° |
| C8 | C9 | C4 | H4 | 179.9° | 180.0° |
| C9 | C8 | C5 | H5 | 179.8° | 180.0° |
| C9 | C13 | C31 | N33 | 77.7° | 80.0° |
| C13 | C9 | C4 | H4 | 0.1° | 0.1° |
| C9 | C13 | C6 | H6 | 179.6° | 180.0° |
| C9 | C13 | C31 | H31 | 42.1° | 160.0° |
| C9 | C13 | C31 | H31A | 162.5° | 40.0° |
| C14 | C10 | C15 | C22 | 179.5° | 180.0° |
| C10 | C14 | C11 | O38 | 179.6° | 179.7° |
| C10 | C14 | C11 | C16 | 0.4° | 0.5° |
| C10 | C14 | C11 | C25 | 179.6° | 179.1° |
| C14 | C10 | C15 | O41 | 179.7° | 179.8° |
| C10 | C14 | O38 | C20 | 164.0° | 153.5° |
| C14 | C10 | C22 | N33 | 136.8° | 90.0° |
| C14 | C10 | C22 | O35 | 43.5° | 90.0° |
| C15 | C10 | C14 | C11 | 0.4° | 0.4° |
| C15 | C10 | C14 | O38 | 179.9° | 179.2° |
| C15 | C10 | C22 | N33 | 43.7° | 90.0° |
| C15 | C10 | C22 | O35 | 136.0° | 90.1° |
| C10 | C15 | O41 | C28 | 158.4° | 180.0° |
| C10 | C15 | C7 | H7 | 180.0° | 179.9° |
| C22 | C10 | C14 | C11 | 179.9° | 179.5° |
| C22 | C10 | C14 | O38 | 0.6° | 0.9° |
| C22 | C10 | C15 | O41 | 0.1° | 0.2° |
| C10 | C22 | N33 | O35 | 179.7° | 180.0° |
| C10 | C22 | N33 | C31 | 179.3° | 180.0° |
| C10 | C22 | N33 | HN33 | 0.7° | 0.0° |
| C14 | C11 | C16 | C25 | 179.0° | 179.5° |
| C14 | C11 | C16 | O39 | 179.9° | 179.8° |
| C14 | C11 | C25 | C20 | 15.4° | 20.9° |
| C11 | C14 | O38 | C20 | 15.6° | 26.9° |
| C14 | C11 | C25 | C21 | 133.0° | 144.0° |
| C14 | C11 | C25 | C27 | 100.0° | 94.6° |
| C16 | C11 | C14 | O38 | 180.0° | 179.2° |
| C16 | C11 | C25 | C20 | 165.5° | 158.6° |
| C16 | C11 | C25 | C21 | 47.9° | 35.6° |
| C16 | C11 | C25 | C27 | 79.1° | 85.9° |
| C11 | C16 | C7 | H7 | 179.9° | 179.9° |
| C11 | C16 | O39 | HO39 | 29.6° | 90.0° |
| C25 | C11 | C14 | O38 | 0.8° | 1.2° |
| C25 | C11 | C16 | O39 | 0.9° | 0.7° |
| C11 | C25 | C20 | C17 | 151.4° | 138.7° |
| C11 | C25 | C21 | C18 | 150.9° | 130.3° |
| C11 | C25 | C20 | C21 | 125.8° | 118.5° |
| C11 | C25 | C20 | C27 | 114.5° | 115.4° |
| C11 | C25 | C20 | O38 | 26.1° | 36.4° |
| C11 | C25 | C21 | C27 | 127.3° | 121.1° |
| C11 | C25 | C21 | O34 | 31.1° | 49.7° |
| C11 | C25 | C27 | H27 | 180.0° | 60.0° |
| C11 | C25 | C27 | H27A | 60.0° | 180.0° |
| C11 | C25 | C27 | H27B | 60.0° | 60.1° |
| C12 | C30 | C32 | C24 | 83.1° | 180.0° |
| C12 | C30 | C32 | H30 | 120.3° | 120.0° |
| C12 | C30 | C32 | H30A | 120.3° | 120.0° |
| C30 | C12 | C5 | H5 | 0.4° | 0.0° |
| C30 | C12 | C6 | H6 | 0.3° | 0.0° |
| C12 | C30 | H30 | H30A | 119.0° | 120.0° |
| C12 | C30 | C32 | H32 | 37.0° | 60.0° |
| C12 | C30 | C32 | H32A | 156.7° | 60.0° |
| C13 | C31 | N33 | C22 | 176.6° | 180.0° |
| C13 | C31 | N33 | H31 | 119.8° | 120.0° |
| C13 | C31 | N33 | H31A | 119.8° | 120.1° |
| C31 | C13 | C6 | H6 | 0.4° | 0.0° |
| C13 | C31 | H31 | H31A | 120.6° | 120.1° |
| C13 | C31 | N33 | HN33 | 3.4° | 0.1° |
| C14 | O38 | C20 | C17 | 150.9° | 134.0° |
| C14 | O38 | C20 | C25 | 26.6° | 39.4° |
| O41 | C15 | C7 | H7 | 0.2° | 0.2° |
| C15 | O41 | C28 | H28 | 180.0° | 60.0° |
| C15 | O41 | C28 | H28A | 60.0° | 180.0° |
| C15 | O41 | C28 | H28B | 60.0° | 60.0° |
| O39 | C16 | C7 | H7 | 0.0° | 0.2° |
| C19 | C17 | C20 | H17 | 180.0° | 179.9° |
| C17 | C19 | C18 | O40 | 179.2° | 179.9° |
| C17 | C19 | C18 | C21 | 0.5° | 10.6° |
| C17 | C19 | C18 | C23 | 179.5° | 169.5° |
| C19 | C17 | C20 | C25 | 0.9° | 7.6° |
| C19 | C17 | C20 | O38 | 178.1° | 165.0° |
| C17 | C19 | O40 | HO40 | 180.0° | 0.1° |
| C20 | C17 | C19 | C18 | 15.9° | 8.2° |
| C20 | C17 | C19 | O40 | 164.9° | 171.9° |
| C17 | C20 | C25 | O38 | 177.5° | 175.1° |
| C17 | C20 | C25 | C21 | 25.6° | 20.1° |
| C17 | C20 | C25 | C27 | 94.1° | 105.9° |
| C19 | C18 | C21 | C23 | 180.0° | 180.0° |
| C19 | C18 | C21 | C25 | 28.4° | 3.0° |
| C19 | C18 | C21 | O34 | 153.6° | 177.1° |
| C19 | C18 | C23 | C26 | 49.4° | 178.8° |
| C19 | C18 | C23 | O36 | 131.1° | 1.2° |
| C18 | C19 | C17 | H17 | 164.1° | 171.8° |
| C18 | C19 | O40 | HO40 | 0.8° | 180.0° |
| C21 | C18 | C19 | O40 | 179.7° | 169.5° |
| C18 | C21 | C25 | C20 | 39.1° | 17.4° |
| C18 | C21 | C25 | O34 | 178.0° | 180.0° |
| C21 | C18 | C23 | C26 | 130.6° | 1.2° |
| C21 | C18 | C23 | O36 | 48.9° | 178.8° |
| C18 | C21 | C25 | C27 | 81.8° | 108.6° |
| C23 | C18 | C19 | O40 | 0.3° | 10.5° |
| C23 | C18 | C21 | C25 | 151.6° | 177.0° |
| C23 | C18 | C21 | O34 | 26.4° | 3.0° |
| C18 | C23 | C26 | O36 | 179.4° | 180.0° |
| C18 | C23 | C26 | H26 | 179.4° | 60.7° |
| C18 | C23 | C26 | H26A | 59.4° | 179.2° |
| C18 | C23 | C26 | H26B | 60.6° | 59.3° |
| O40 | C19 | C17 | H17 | 15.1° | 8.1° |
| C20 | C25 | C21 | C27 | 120.9° | 125.9° |
| C20 | C25 | C21 | O34 | 142.9° | 162.7° |
| C25 | C20 | C17 | H17 | 179.1° | 172.4° |
| C20 | C25 | C27 | H27 | 73.0° | 49.2° |
| C20 | C25 | C27 | H27A | 167.0° | 70.9° |
| C20 | C25 | C27 | H27B | 47.0° | 169.2° |
| O38 | C20 | C25 | C21 | 151.9° | 154.9° |
| O38 | C20 | C25 | C27 | 88.4° | 79.0° |
| O38 | C20 | C17 | H17 | 1.9° | 14.9° |
| C21 | C25 | C27 | H27 | 46.9° | 178.6° |
| C21 | C25 | C27 | H27A | 73.1° | 58.6° |
| C21 | C25 | C27 | H27B | 166.9° | 61.3° |
| O34 | C21 | C25 | C27 | 96.2° | 71.4° |
| C22 | N33 | C31 | HN33 | 180.0° | 179.9° |
| C22 | N33 | C31 | H31 | 63.6° | 60.0° |
| C22 | N33 | C31 | H31A | 56.8° | 59.9° |
| O35 | C22 | N33 | C31 | 0.4° | 0.0° |
| O35 | C22 | N33 | HN33 | 179.6° | 179.9° |
| C23 | C26 | H26 | H26A | 120.0° | 120.0° |
| C23 | C26 | H26 | H26B | 120.0° | 120.0° |
| C23 | C26 | H26A | H26B | 120.0° | 120.0° |
| O36 | C23 | C26 | H26 | 0.0° | 119.3° |
| O36 | C23 | C26 | H26A | 120.0° | 0.8° |
| O36 | C23 | C26 | H26B | 120.0° | 120.7° |
| C32 | C24 | O37 | O42 | 179.9° | 180.0° |
| C32 | C24 | O42 | C29 | 174.9° | 180.0° |
| C24 | C32 | C30 | H32 | 120.1° | 120.0° |
| C24 | C32 | C30 | H32A | 120.1° | 120.0° |
| C24 | C32 | C30 | H30 | 37.2° | 60.0° |
| C24 | C32 | C30 | H30A | 156.6° | 60.0° |
| C24 | C32 | H32 | H32A | 119.6° | 120.0° |
| O37 | C24 | O42 | C29 | 5.2° | 0.0° |
| O37 | C24 | C32 | C30 | 1.3° | 0.0° |
| O37 | C24 | C32 | H32 | 121.5° | 120.0° |
| O37 | C24 | C32 | H32A | 118.8° | 120.0° |
| O42 | C24 | C32 | C30 | 178.5° | 180.0° |
| C24 | O42 | C29 | H29 | 180.0° | 180.0° |
| C24 | O42 | C29 | H29A | 60.0° | 60.0° |
| C24 | O42 | C29 | H29B | 60.0° | 60.0° |
| O42 | C24 | C32 | H32 | 58.4° | 60.0° |
| O42 | C24 | C32 | H32A | 61.3° | 60.0° |
| C25 | C27 | H27 | H27A | 120.0° | 120.0° |
| C25 | C27 | H27 | H27B | 120.0° | 120.0° |
| C25 | C27 | H27A | H27B | 120.0° | 119.9° |
| O41 | C28 | H28 | H28A | 120.0° | 120.0° |
| O41 | C28 | H28 | H28B | 120.0° | 120.0° |
| O41 | C28 | H28A | H28B | 120.0° | 120.0° |
| O42 | C29 | H29 | H29A | 120.0° | 120.0° |
| O42 | C29 | H29 | H29B | 120.0° | 120.1° |
| O42 | C29 | H29A | H29B | 120.0° | 120.0° |
| C32 | C30 | H30 | H30A | 119.1° | 120.0° |
| C30 | C32 | H32 | H32A | 119.6° | 120.0° |
| N33 | C31 | H31 | H31A | 120.6° | 119.9° |
| H1 | C1 | C2 | H2 | 0.0° | 0.2° |
| H1 | C1 | C3 | H3 | 0.1° | 0.2° |
| H2 | C2 | C4 | H4 | 0.1° | 0.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| H29 | C29 | H29A | H29B | 119.9° | 120.0° |
| H30 | C30 | C32 | H32 | 157.3° | 60.0° |
| H30 | C30 | C32 | H32A | 82.9° | 180.0° |
| H30A | C30 | C32 | H32 | 83.3° | 180.0° |
| H30A | C30 | C32 | H32A | 36.5° | 60.0° |
| H31 | C31 | N33 | HN33 | 116.4° | 120.1° |
| H31A | C31 | N33 | HN33 | 123.2° | 120.0° |
