TVL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.55Å | |
| O1 | C10 | doub | 1.22Å | 1.11Å | |
| C10 | N1 | sing | 1.35Å | 1.45Å | |
| C17 | C8 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| N1 | C8 | sing | 1.47Å | 1.45Å | |
| N1 | C9 | sing | 1.47Å | 1.44Å | |
| C8 | C18 | sing | 1.53Å | 1.50Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C19 | sing | 1.51Å | 1.52Å | |
| C3 | O2 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | O3 | sing | 1.36Å | 1.40Å | |
| O3 | C25 | sing | 1.43Å | 1.39Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | N2 | sing | 1.47Å | 1.12Å | |
| C31 | C30 | sing | 1.53Å | 1.57Å | |
| N2 | C30 | sing | 1.49Å | 1.24Å | |
| N2 | C27 | sing | 1.47Å | 1.57Å | |
| C30 | C29 | sing | 1.55Å | 1.57Å | |
| C27 | C28 | sing | 1.54Å | 1.31Å | |
| C29 | C28 | sing | 1.55Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| O2 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 118.2° | 120.1° |
| C13 | C14 | C15 | 120.1° | 120.3° |
| C14 | C13 | H4 | 120.9° | 120.0° |
| C13 | C14 | H17 | 120.0° | 119.8° |
| C13 | C12 | C11 | 121.2° | 119.9° |
| C12 | C13 | H4 | 120.9° | 119.9° |
| C13 | C12 | H16 | 119.4° | 120.1° |
| C14 | C15 | C16 | 122.2° | 120.1° |
| C14 | C15 | H5 | 118.9° | 119.9° |
| C15 | C14 | H17 | 120.0° | 119.9° |
| C12 | C11 | C16 | 121.7° | 119.7° |
| C12 | C11 | C10 | 112.1° | 120.2° |
| C11 | C12 | H16 | 119.4° | 120.1° |
| C15 | C16 | C11 | 116.4° | 119.9° |
| C16 | C15 | H5 | 118.9° | 119.9° |
| C15 | C16 | H18 | 121.8° | 120.0° |
| C16 | C11 | C10 | 125.9° | 120.2° |
| C11 | C16 | H18 | 121.8° | 120.1° |
| C11 | C10 | O1 | 118.8° | 120.0° |
| C11 | C10 | N1 | 124.8° | 120.0° |
| O1 | C10 | N1 | 115.7° | 120.0° |
| C10 | N1 | C8 | 127.3° | 121.7° |
| C10 | N1 | C9 | 118.9° | 121.6° |
| C8 | C17 | C18 | 59.6° | 59.9° |
| C17 | C8 | C7 | 112.5° | 118.6° |
| C17 | C8 | N1 | 118.4° | 118.0° |
| C17 | C8 | C18 | 59.9° | 60.2° |
| C8 | C17 | H6 | 120.1° | 117.5° |
| C8 | C17 | H7 | 120.1° | 117.5° |
| C17 | C18 | C8 | 60.5° | 59.9° |
| C18 | C17 | H6 | 120.1° | 117.5° |
| C18 | C17 | H7 | 120.1° | 117.5° |
| C17 | C18 | H19 | 119.9° | 117.5° |
| C17 | C18 | H20 | 119.9° | 117.5° |
| C8 | C7 | C5 | 109.2° | 110.1° |
| C7 | C8 | N1 | 115.8° | 113.5° |
| C7 | C8 | C18 | 112.7° | 118.5° |
| C8 | C7 | H2 | 109.5° | 109.3° |
| C8 | C7 | H3 | 109.5° | 109.3° |
| C7 | C5 | C4 | 116.6° | 117.0° |
| C7 | C5 | C6 | 122.1° | 123.3° |
| C5 | C7 | H2 | 109.5° | 109.4° |
| C5 | C7 | H3 | 109.5° | 109.4° |
| C8 | N1 | C9 | 113.7° | 116.7° |
| N1 | C8 | C18 | 125.3° | 118.0° |
| N1 | C9 | C6 | 112.8° | 110.4° |
| N1 | C9 | C19 | 115.6° | 109.3° |
| N1 | C9 | H33 | 105.9° | 109.3° |
| C8 | C18 | H19 | 119.9° | 117.5° |
| C8 | C18 | H20 | 119.9° | 117.5° |
| C4 | C5 | C6 | 121.3° | 119.7° |
| C5 | C4 | C3 | 119.1° | 120.7° |
| C5 | C4 | H1 | 120.4° | 119.7° |
| C5 | C6 | C9 | 123.2° | 123.5° |
| C5 | C6 | C1 | 118.5° | 119.6° |
| C4 | C3 | O2 | 118.9° | 120.3° |
| C4 | C3 | C2 | 120.1° | 119.5° |
| C3 | C4 | H1 | 120.5° | 119.6° |
| C9 | C6 | C1 | 118.2° | 116.9° |
| C6 | C9 | C19 | 111.4° | 109.3° |
| C6 | C9 | H33 | 105.0° | 109.3° |
| C6 | C1 | C2 | 120.4° | 120.8° |
| C6 | C1 | H15 | 119.8° | 119.5° |
| C9 | C19 | C20 | 122.0° | 119.9° |
| C9 | C19 | C24 | 119.5° | 119.9° |
| C19 | C9 | H33 | 105.0° | 109.2° |
| O2 | C3 | C2 | 120.9° | 120.2° |
| C3 | O2 | H35 | 109.5° | 114.0° |
| C3 | C2 | C1 | 120.5° | 119.7° |
| C3 | C2 | H21 | 119.7° | 120.2° |
| C2 | C1 | H15 | 119.8° | 119.6° |
| C1 | C2 | H21 | 119.8° | 120.2° |
| C20 | C19 | C24 | 118.5° | 120.1° |
| C19 | C20 | C21 | 121.2° | 120.0° |
| C19 | C20 | H8 | 119.4° | 120.0° |
| C19 | C24 | C23 | 120.3° | 120.1° |
| C19 | C24 | H10 | 119.8° | 119.9° |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C21 | C20 | H8 | 119.4° | 120.0° |
| C20 | C21 | H9 | 120.2° | 120.0° |
| C24 | C23 | C22 | 121.8° | 120.0° |
| C23 | C24 | H10 | 119.9° | 120.0° |
| C24 | C23 | H22 | 119.1° | 120.0° |
| C21 | C22 | C23 | 118.6° | 119.8° |
| C21 | C22 | O3 | 122.5° | 120.1° |
| C22 | C21 | H9 | 120.2° | 120.0° |
| C23 | C22 | O3 | 118.9° | 120.1° |
| C22 | C23 | H22 | 119.1° | 120.0° |
| C22 | O3 | C25 | 115.1° | 117.0° |
| O3 | C25 | C26 | 108.5° | 109.5° |
| O3 | C25 | H23 | 109.7° | 109.5° |
| O3 | C25 | H24 | 109.7° | 109.4° |
| C25 | C26 | N2 | 114.8° | 109.5° |
| C25 | C26 | H11 | 108.1° | 109.5° |
| C25 | C26 | H12 | 108.1° | 109.5° |
| C26 | C25 | H23 | 109.7° | 109.5° |
| C26 | C25 | H24 | 109.7° | 109.5° |
| C26 | N2 | C30 | 109.9° | 111.0° |
| C26 | N2 | C27 | 105.8° | 111.1° |
| N2 | C26 | H11 | 108.1° | 109.4° |
| N2 | C26 | H12 | 108.1° | 109.5° |
| C31 | C30 | N2 | 112.5° | 110.6° |
| C31 | C30 | C29 | 105.4° | 110.4° |
| C31 | C30 | H29 | 108.1° | 110.3° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H32 | 109.5° | 109.5° |
| C30 | N2 | C27 | 105.2° | 108.5° |
| N2 | C30 | C29 | 109.3° | 104.7° |
| N2 | C30 | H29 | 113.1° | 110.3° |
| N2 | C27 | C28 | 110.7° | 107.3° |
| N2 | C27 | H25 | 109.2° | 109.9° |
| N2 | C27 | H26 | 109.1° | 110.0° |
| C30 | C29 | C28 | 103.2° | 101.7° |
| C30 | C29 | H27 | 111.0° | 111.0° |
| C30 | C29 | H28 | 111.0° | 111.0° |
| C29 | C30 | H29 | 108.1° | 110.4° |
| C27 | C28 | C29 | 105.0° | 103.2° |
| C27 | C28 | H13 | 110.6° | 110.7° |
| C27 | C28 | H14 | 110.6° | 110.7° |
| C28 | C27 | H25 | 109.1° | 109.9° |
| C28 | C27 | H26 | 109.2° | 109.9° |
| C29 | C28 | H13 | 110.6° | 110.7° |
| C29 | C28 | H14 | 110.6° | 110.7° |
| C28 | C29 | H27 | 111.0° | 111.0° |
| C28 | C29 | H28 | 111.0° | 111.0° |
| H2 | C7 | H3 | 109.5° | 109.3° |
| H6 | C17 | H7 | 109.5° | 115.6° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.4° | 110.7° |
| H19 | C18 | H20 | 109.5° | 115.6° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.9° |
| H27 | C29 | H28 | 109.5° | 110.9° |
| H30 | C31 | H31 | 109.5° | 109.5° |
| H30 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H4 | 180.0° | 179.8° |
| C13 | C14 | C15 | H17 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.7° | 0.1° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H5 | 179.8° | 180.0° |
| C14 | C13 | C12 | H16 | 179.3° | 180.0° |
| C12 | C13 | C14 | C15 | 1.9° | 0.1° |
| C13 | C12 | C11 | H16 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 2.8° | 0.0° |
| C13 | C12 | C11 | C10 | 177.5° | 180.0° |
| C12 | C13 | C14 | H17 | 178.1° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 3.5° | 0.0° |
| C15 | C14 | C13 | H4 | 178.1° | 179.7° |
| C14 | C15 | C16 | H18 | 176.5° | 180.0° |
| C12 | C11 | C16 | C15 | 4.7° | 0.0° |
| C12 | C11 | C16 | C10 | 174.0° | 180.0° |
| C12 | C11 | C10 | O1 | 109.3° | 123.8° |
| C12 | C11 | C10 | N1 | 60.9° | 56.3° |
| C11 | C12 | C13 | H4 | 179.3° | 179.7° |
| C12 | C11 | C16 | H18 | 175.3° | 180.0° |
| C15 | C16 | C11 | H18 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 178.7° | 180.0° |
| C16 | C15 | C14 | H17 | 179.7° | 179.9° |
| C16 | C11 | C10 | O1 | 65.2° | 56.2° |
| C16 | C11 | C10 | N1 | 124.6° | 123.7° |
| C11 | C16 | C15 | H5 | 176.5° | 180.0° |
| C16 | C11 | C12 | H16 | 177.3° | 180.0° |
| C11 | C10 | O1 | N1 | 171.0° | 179.9° |
| C11 | C10 | N1 | C8 | 9.3° | 175.0° |
| C11 | C10 | N1 | C9 | 172.6° | 4.8° |
| C10 | C11 | C12 | H16 | 2.5° | 0.1° |
| C10 | C11 | C16 | H18 | 1.3° | 0.0° |
| O1 | C10 | N1 | C8 | 179.7° | 4.9° |
| O1 | C10 | N1 | C9 | 2.2° | 175.3° |
| C10 | N1 | C8 | C17 | 14.4° | 23.3° |
| C10 | N1 | C8 | C7 | 123.8° | 122.2° |
| C10 | N1 | C8 | C9 | 178.2° | 179.8° |
| C10 | N1 | C8 | C18 | 86.0° | 92.6° |
| C10 | N1 | C9 | C6 | 139.2° | 138.5° |
| C10 | N1 | C9 | C19 | 90.9° | 101.3° |
| C10 | N1 | C9 | H33 | 24.9° | 18.2° |
| C8 | C17 | C18 | H6 | 109.4° | 107.5° |
| C8 | C17 | C18 | H7 | 109.4° | 107.4° |
| C17 | C8 | C7 | N1 | 140.6° | 145.2° |
| C17 | C8 | C7 | C18 | 65.4° | 69.7° |
| C17 | C8 | C7 | C5 | 178.3° | 173.9° |
| C17 | C8 | N1 | C18 | 71.5° | 69.3° |
| C17 | C8 | N1 | C9 | 163.8° | 156.9° |
| C17 | C8 | C7 | H2 | 61.7° | 53.7° |
| C17 | C8 | C7 | H3 | 58.4° | 65.9° |
| C8 | C17 | H6 | H7 | 145.0° | 145.7° |
| C8 | C17 | C18 | H19 | 109.6° | 107.4° |
| C8 | C17 | C18 | H20 | 109.6° | 107.4° |
| C18 | C17 | H6 | H7 | 144.9° | 145.8° |
| C17 | C18 | H19 | H20 | 144.4° | 145.8° |
| C8 | C7 | C5 | H2 | 120.0° | 120.2° |
| C8 | C7 | C5 | H3 | 120.0° | 120.1° |
| C7 | C8 | N1 | C18 | 150.3° | 145.3° |
| C7 | C8 | N1 | C9 | 58.0° | 57.6° |
| C8 | C7 | C5 | C4 | 166.7° | 165.6° |
| C8 | C7 | C5 | C6 | 13.9° | 15.4° |
| C8 | C7 | H2 | H3 | 120.1° | 119.6° |
| C7 | C8 | C17 | H6 | 5.4° | 0.9° |
| C7 | C8 | C17 | H7 | 146.6° | 144.1° |
| C7 | C8 | C18 | H19 | 5.8° | 144.1° |
| C7 | C8 | C18 | H20 | 146.7° | 1.0° |
| C5 | C7 | C8 | N1 | 41.1° | 40.8° |
| C5 | C7 | C8 | C18 | 112.9° | 104.3° |
| C7 | C5 | C4 | C6 | 179.4° | 179.0° |
| C7 | C5 | C4 | C3 | 179.5° | 178.3° |
| C7 | C5 | C6 | C9 | 2.5° | 2.5° |
| C7 | C5 | C6 | C1 | 179.6° | 177.9° |
| C7 | C5 | C4 | H1 | 0.5° | 1.6° |
| C5 | C7 | H2 | H3 | 120.1° | 119.7° |
| C8 | N1 | C9 | C6 | 42.4° | 41.3° |
| C8 | N1 | C9 | C19 | 87.5° | 79.0° |
| N1 | C8 | C7 | H2 | 78.8° | 161.1° |
| N1 | C8 | C7 | H3 | 161.0° | 79.3° |
| N1 | C8 | C17 | H6 | 134.1° | 144.6° |
| N1 | C8 | C17 | H7 | 7.2° | 0.4° |
| N1 | C8 | C18 | H19 | 145.2° | 0.5° |
| N1 | C8 | C18 | H20 | 4.4° | 144.6° |
| C8 | N1 | C9 | H33 | 156.8° | 161.6° |
| C9 | N1 | C8 | C18 | 92.2° | 87.7° |
| N1 | C9 | C6 | C5 | 15.9° | 14.1° |
| N1 | C9 | C6 | C19 | 132.0° | 120.3° |
| N1 | C9 | C6 | H33 | 114.9° | 120.3° |
| N1 | C9 | C6 | C1 | 166.1° | 166.3° |
| N1 | C9 | C19 | H33 | 116.3° | 119.5° |
| N1 | C9 | C19 | C20 | 98.1° | 60.3° |
| N1 | C9 | C19 | C24 | 83.3° | 119.7° |
| C18 | C8 | C7 | H2 | 127.2° | 16.0° |
| C18 | C8 | C7 | H3 | 7.0° | 135.6° |
| C8 | C18 | H19 | H20 | 144.5° | 145.7° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C9 | 178.2° | 178.5° |
| C4 | C5 | C6 | C1 | 0.2° | 1.1° |
| C5 | C4 | C3 | O2 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C7 | H2 | 73.3° | 45.4° |
| C4 | C5 | C7 | H3 | 46.8° | 74.3° |
| C6 | C5 | C4 | C3 | 0.1° | 0.7° |
| C5 | C6 | C9 | C1 | 177.9° | 179.6° |
| C5 | C6 | C9 | C19 | 116.1° | 106.2° |
| C5 | C6 | C1 | C2 | 0.0° | 0.8° |
| C6 | C5 | C4 | H1 | 179.9° | 179.4° |
| C6 | C5 | C7 | H2 | 106.0° | 135.6° |
| C6 | C5 | C7 | H3 | 133.9° | 104.7° |
| C5 | C6 | C1 | H15 | 180.0° | 179.3° |
| C5 | C6 | C9 | H33 | 130.8° | 134.4° |
| C4 | C3 | O2 | C2 | 179.3° | 180.0° |
| C4 | C3 | C2 | C1 | 0.6° | 0.3° |
| C4 | C3 | C2 | H21 | 179.4° | 179.7° |
| C4 | C3 | O2 | H35 | 180.0° | 90.0° |
| C6 | C9 | C19 | H33 | 113.1° | 119.5° |
| C9 | C6 | C1 | C2 | 178.0° | 178.9° |
| C6 | C9 | C19 | C20 | 131.3° | 60.6° |
| C6 | C9 | C19 | C24 | 47.3° | 119.3° |
| C9 | C6 | C1 | H15 | 2.0° | 1.1° |
| C1 | C6 | C9 | C19 | 61.9° | 73.4° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C6 | C1 | C2 | H15 | 180.0° | 179.9° |
| C6 | C1 | C2 | H21 | 179.5° | 179.9° |
| C1 | C6 | C9 | H33 | 51.2° | 46.0° |
| C9 | C19 | C20 | C24 | 178.6° | 179.9° |
| C9 | C19 | C20 | C21 | 178.4° | 180.0° |
| C9 | C19 | C24 | C23 | 179.1° | 179.5° |
| C9 | C19 | C20 | H8 | 1.6° | 0.3° |
| C9 | C19 | C24 | H10 | 0.9° | 0.2° |
| O2 | C3 | C2 | C1 | 179.9° | 179.7° |
| O2 | C3 | C4 | H1 | 0.4° | 0.1° |
| O2 | C3 | C2 | H21 | 0.1° | 0.3° |
| C3 | C2 | C1 | H21 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 179.7° | 179.9° |
| C3 | C2 | C1 | H15 | 179.6° | 180.0° |
| C2 | C3 | O2 | H35 | 0.7° | 90.0° |
| C19 | C20 | C21 | H8 | 180.0° | 179.7° |
| C20 | C19 | C24 | C23 | 0.5° | 0.4° |
| C19 | C20 | C21 | C22 | 0.4° | 0.2° |
| C19 | C20 | C21 | H9 | 179.6° | 179.7° |
| C20 | C19 | C24 | H10 | 179.5° | 179.8° |
| C20 | C19 | C9 | H33 | 18.2° | 179.8° |
| C24 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C24 | C23 | H10 | 180.0° | 179.4° |
| C19 | C24 | C23 | C22 | 1.1° | 0.7° |
| C24 | C19 | C20 | H8 | 179.8° | 179.8° |
| C19 | C24 | C23 | H22 | 178.9° | 179.9° |
| C24 | C19 | C9 | H33 | 160.4° | 0.2° |
| C20 | C21 | C22 | H9 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | O3 | 179.1° | 180.0° |
| C24 | C23 | C22 | C21 | 0.9° | 0.5° |
| C24 | C23 | C22 | H22 | 180.0° | 179.2° |
| C24 | C23 | C22 | O3 | 179.9° | 179.5° |
| C21 | C22 | C23 | O3 | 179.0° | 180.0° |
| C21 | C22 | O3 | C25 | 37.4° | 179.9° |
| C22 | C21 | C20 | H8 | 179.6° | 180.0° |
| C21 | C22 | C23 | H22 | 179.1° | 179.7° |
| C23 | C22 | O3 | C25 | 143.7° | 0.0° |
| C23 | C22 | C21 | H9 | 179.8° | 180.0° |
| C22 | C23 | C24 | H10 | 178.9° | 179.9° |
| C22 | O3 | C25 | C26 | 165.7° | 180.0° |
| O3 | C22 | C21 | H9 | 0.9° | 0.0° |
| O3 | C22 | C23 | H22 | 0.1° | 0.3° |
| C22 | O3 | C25 | H23 | 74.4° | 59.9° |
| C22 | O3 | C25 | H24 | 45.9° | 60.1° |
| O3 | C25 | C26 | H23 | 119.9° | 120.1° |
| O3 | C25 | C26 | H24 | 119.8° | 119.9° |
| O3 | C25 | C26 | N2 | 97.3° | 65.0° |
| O3 | C25 | C26 | H11 | 23.5° | 175.1° |
| O3 | C25 | C26 | H12 | 141.9° | 55.0° |
| O3 | C25 | H23 | H24 | 120.5° | 120.0° |
| C25 | C26 | N2 | H11 | 120.8° | 120.0° |
| C25 | C26 | N2 | H12 | 120.8° | 120.0° |
| C25 | C26 | N2 | C30 | 96.0° | 170.0° |
| C25 | C26 | N2 | C27 | 150.9° | 69.2° |
| C25 | C26 | H11 | H12 | 117.5° | 120.0° |
| C26 | C25 | H23 | H24 | 120.4° | 120.0° |
| C26 | N2 | C30 | C31 | 120.3° | 94.7° |
| C26 | N2 | C30 | C27 | 113.5° | 122.4° |
| C26 | N2 | C30 | C29 | 123.1° | 146.3° |
| C26 | N2 | C27 | C28 | 109.2° | 123.1° |
| N2 | C26 | H11 | H12 | 117.6° | 120.0° |
| N2 | C26 | C25 | H23 | 142.8° | 175.0° |
| N2 | C26 | C25 | H24 | 22.5° | 55.0° |
| C26 | N2 | C27 | H25 | 11.0° | 117.4° |
| C26 | N2 | C27 | H26 | 130.6° | 3.7° |
| C26 | N2 | C30 | H29 | 2.6° | 27.6° |
| C31 | C30 | N2 | C29 | 116.6° | 118.9° |
| C31 | C30 | N2 | H29 | 122.9° | 122.3° |
| C31 | C30 | N2 | C27 | 126.2° | 142.9° |
| C31 | C30 | C29 | H29 | 115.4° | 122.3° |
| C31 | C30 | C29 | C28 | 143.2° | 156.0° |
| C31 | C30 | C29 | H27 | 24.2° | 85.9° |
| C31 | C30 | C29 | H28 | 97.8° | 37.9° |
| C30 | C31 | H30 | H31 | 120.0° | 120.1° |
| C30 | C31 | H30 | H32 | 120.0° | 120.0° |
| C30 | C31 | H31 | H32 | 120.0° | 120.0° |
| N2 | C30 | C29 | H29 | 123.5° | 118.7° |
| C30 | N2 | C27 | C28 | 7.2° | 0.8° |
| N2 | C30 | C29 | C28 | 22.1° | 36.9° |
| C30 | N2 | C26 | H11 | 24.8° | 50.0° |
| C30 | N2 | C26 | H12 | 143.2° | 70.0° |
| C30 | N2 | C27 | H25 | 127.3° | 120.3° |
| C30 | N2 | C27 | H26 | 113.0° | 118.6° |
| N2 | C30 | C29 | H27 | 96.9° | 155.0° |
| N2 | C30 | C29 | H28 | 141.1° | 81.1° |
| N2 | C30 | C31 | H30 | 180.0° | 56.9° |
| N2 | C30 | C31 | H31 | 60.0° | 63.1° |
| N2 | C30 | C31 | H32 | 60.0° | 176.9° |
| C27 | N2 | C30 | C29 | 9.6° | 23.9° |
| N2 | C27 | C28 | H25 | 120.2° | 119.4° |
| N2 | C27 | C28 | H26 | 120.2° | 119.5° |
| N2 | C27 | C28 | C29 | 21.1° | 22.4° |
| C27 | N2 | C26 | H11 | 88.3° | 170.9° |
| C27 | N2 | C26 | H12 | 30.1° | 50.8° |
| N2 | C27 | C28 | H13 | 98.2° | 96.0° |
| N2 | C27 | C28 | H14 | 140.4° | 140.8° |
| N2 | C27 | H25 | H26 | 119.4° | 121.1° |
| C27 | N2 | C30 | H29 | 110.9° | 94.8° |
| C30 | C29 | C28 | C27 | 25.3° | 35.7° |
| C30 | C29 | C28 | H27 | 119.0° | 118.1° |
| C30 | C29 | C28 | H28 | 119.0° | 118.1° |
| C30 | C29 | C28 | H13 | 94.0° | 82.7° |
| C30 | C29 | C28 | H14 | 144.6° | 154.2° |
| C30 | C29 | H27 | H28 | 122.9° | 123.9° |
| C29 | C30 | C31 | H30 | 61.0° | 58.5° |
| C29 | C30 | C31 | H31 | 59.0° | 178.6° |
| C29 | C30 | C31 | H32 | 178.9° | 61.5° |
| C27 | C28 | C29 | H13 | 119.3° | 118.5° |
| C27 | C28 | C29 | H14 | 119.3° | 118.5° |
| C27 | C28 | H13 | H14 | 122.1° | 123.1° |
| C28 | C27 | H25 | H26 | 119.4° | 121.0° |
| C27 | C28 | C29 | H27 | 93.7° | 153.8° |
| C27 | C28 | C29 | H28 | 144.3° | 82.4° |
| C29 | C28 | H13 | H14 | 122.1° | 123.1° |
| C29 | C28 | C27 | H25 | 141.3° | 97.1° |
| C29 | C28 | C27 | H26 | 99.0° | 141.9° |
| C28 | C29 | H27 | H28 | 122.9° | 123.8° |
| C28 | C29 | C30 | H29 | 101.4° | 81.8° |
| H4 | C13 | C12 | H16 | 0.7° | 0.2° |
| H4 | C13 | C14 | H17 | 1.8° | 0.2° |
| H5 | C15 | C14 | H17 | 0.3° | 0.1° |
| H5 | C15 | C16 | H18 | 3.5° | 0.0° |
| H6 | C17 | C18 | H19 | 0.2° | 145.1° |
| H6 | C17 | C18 | H20 | 141.0° | 0.0° |
| H7 | C17 | C18 | H19 | 141.0° | 0.0° |
| H7 | C17 | C18 | H20 | 0.2° | 145.1° |
| H8 | C20 | C21 | H9 | 0.4° | 0.0° |
| H10 | C24 | C23 | H22 | 1.1° | 0.7° |
| H11 | C26 | C25 | H23 | 96.4° | 55.0° |
| H11 | C26 | C25 | H24 | 143.3° | 65.0° |
| H12 | C26 | C25 | H23 | 22.0° | 65.0° |
| H12 | C26 | C25 | H24 | 98.3° | 175.0° |
| H13 | C28 | C27 | H25 | 22.0° | 144.5° |
| H13 | C28 | C27 | H26 | 141.6° | 23.5° |
| H13 | C28 | C29 | H27 | 147.0° | 35.4° |
| H13 | C28 | C29 | H28 | 25.0° | 159.2° |
| H14 | C28 | C27 | H25 | 99.4° | 21.4° |
| H14 | C28 | C27 | H26 | 20.3° | 99.6° |
| H14 | C28 | C29 | H27 | 25.6° | 87.7° |
| H14 | C28 | C29 | H28 | 96.4° | 36.1° |
| H15 | C1 | C2 | H21 | 0.5° | 0.0° |
| H27 | C29 | C30 | H29 | 139.6° | 36.3° |
| H28 | C29 | C30 | H29 | 17.6° | 160.1° |
| H29 | C30 | C31 | H30 | 54.4° | 179.2° |
| H29 | C30 | C31 | H31 | 174.4° | 59.2° |
| H29 | C30 | C31 | H32 | 65.6° | 60.8° |
| H30 | C31 | H31 | H32 | 120.0° | 120.0° |
