A1L3E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | N2 | sing | 1.40Å | 1.41Å | |
| C22 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | O5 | sing | 1.36Å | 1.39Å | |
| C25 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | O5 | sing | 1.43Å | 1.41Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C8 | sing | 1.42Å | 1.46Å | |
| C19 | N2 | sing | 1.35Å | 1.35Å | |
| C19 | O4 | doub | 1.22Å | 1.23Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | O3 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C5 | sing | 1.41Å | 1.49Å | |
| C1 | C2 | sing | 1.50Å | 1.54Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | doub | 1.35Å | 1.36Å | |
| C6 | C4 | sing | 1.51Å | 1.53Å | |
| C6 | N1 | sing | 1.37Å | 1.38Å | |
| C5 | C9 | sing | 1.51Å | 1.56Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | doub | 1.34Å | 1.36Å | |
| C8 | C9 | sing | 1.50Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| N1 | C7 | sing | 1.37Å | 1.38Å | |
| O2 | C11 | sing | 1.36Å | 1.37Å | |
| O3 | C12 | sing | 1.36Å | 1.38Å | |
| C7 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C14 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | BR1 | sing | 1.89Å | 1.42Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | H08 | sing | 1.09Å | 1.10Å | |
| C4 | H09 | sing | 1.09Å | 1.10Å | |
| C3 | H06 | sing | 1.09Å | 1.10Å | |
| C3 | H07 | sing | 1.09Å | 1.10Å | |
| C2 | H03 | sing | 1.09Å | 1.10Å | |
| C2 | H02 | sing | 1.09Å | 1.10Å | |
| N2 | H04 | sing | 0.97Å | 1.00Å | |
| O2 | H05 | sing | 0.97Å | 0.95Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 120.5° | 120.0° |
| C24 | C23 | C22 | 119.6° | 119.8° |
| C24 | C23 | N2 | 123.2° | 120.1° |
| C23 | C24 | H27 | 119.8° | 120.0° |
| C24 | C25 | C20 | 120.0° | 120.2° |
| C25 | C24 | H27 | 119.7° | 120.1° |
| C24 | C25 | H28 | 120.0° | 119.9° |
| C22 | C23 | N2 | 117.2° | 120.1° |
| C23 | C22 | C21 | 118.9° | 119.8° |
| C23 | C22 | O5 | 117.9° | 120.1° |
| C23 | N2 | C19 | 129.7° | 120.0° |
| C23 | N2 | H04 | 115.2° | 120.0° |
| C21 | C22 | O5 | 123.2° | 120.1° |
| C22 | C21 | C20 | 120.9° | 120.1° |
| C22 | C21 | H26 | 119.6° | 120.0° |
| C22 | O5 | C26 | 142.8° | 117.0° |
| C25 | C20 | C21 | 120.0° | 120.2° |
| C20 | C25 | H28 | 120.0° | 119.9° |
| C25 | C20 | H25 | 120.0° | 119.9° |
| O5 | C26 | H29 | 109.5° | 109.4° |
| O5 | C26 | H31 | 109.5° | 109.5° |
| O5 | C26 | H30 | 109.5° | 109.5° |
| C20 | C21 | H26 | 119.6° | 120.0° |
| C21 | C20 | H25 | 120.0° | 119.9° |
| C8 | C19 | N2 | 113.4° | 119.9° |
| C8 | C19 | O4 | 121.8° | 120.0° |
| C19 | C8 | C7 | 121.3° | 119.4° |
| C19 | C8 | C9 | 117.1° | 119.4° |
| N2 | C19 | O4 | 124.8° | 120.0° |
| C19 | N2 | H04 | 115.2° | 120.0° |
| C18 | C17 | O3 | 109.0° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C18 | C17 | H20 | 109.6° | 109.5° |
| C18 | C17 | H21 | 109.6° | 109.5° |
| C17 | O3 | C12 | 119.4° | 117.0° |
| O3 | C17 | H20 | 109.6° | 109.5° |
| O3 | C17 | H21 | 109.6° | 109.5° |
| C14 | C15 | C16 | 120.5° | 120.1° |
| C15 | C14 | C13 | 119.3° | 120.1° |
| C15 | C14 | C9 | 120.3° | 119.9° |
| C14 | C15 | H19 | 119.8° | 119.9° |
| C15 | C16 | C11 | 120.0° | 120.0° |
| C15 | C16 | BR1 | 115.5° | 120.0° |
| C16 | C15 | H19 | 119.8° | 119.9° |
| C12 | C13 | C14 | 121.1° | 120.0° |
| C13 | C12 | O3 | 123.8° | 120.0° |
| C13 | C12 | C11 | 118.7° | 119.9° |
| C12 | C13 | H18 | 119.5° | 120.1° |
| C13 | C14 | C9 | 120.4° | 119.9° |
| C14 | C13 | H18 | 119.4° | 119.9° |
| C5 | C1 | C2 | 117.6° | 121.2° |
| C5 | C1 | O1 | 122.4° | 119.4° |
| C1 | C5 | C6 | 120.7° | 121.1° |
| C1 | C5 | C9 | 118.0° | 118.2° |
| C2 | C1 | O1 | 120.0° | 119.4° |
| C1 | C2 | C3 | 112.3° | 109.0° |
| C1 | C2 | H03 | 108.8° | 109.6° |
| C1 | C2 | H02 | 108.8° | 109.6° |
| C5 | C6 | C4 | 124.2° | 121.0° |
| C5 | C6 | N1 | 120.8° | 120.5° |
| C6 | C5 | C9 | 121.3° | 120.7° |
| C4 | C6 | N1 | 115.0° | 118.5° |
| C6 | C4 | C3 | 110.3° | 109.6° |
| C6 | C4 | H08 | 109.2° | 109.4° |
| C6 | C4 | H09 | 109.2° | 109.5° |
| C6 | N1 | C7 | 124.7° | 120.7° |
| C6 | N1 | H1 | 117.7° | 119.7° |
| C5 | C9 | C8 | 111.2° | 111.0° |
| C5 | C9 | C14 | 114.1° | 109.2° |
| C5 | C9 | H2 | 106.0° | 109.2° |
| C4 | C3 | C2 | 111.9° | 108.5° |
| C3 | C4 | H08 | 109.3° | 109.4° |
| C3 | C4 | H09 | 109.3° | 109.4° |
| C4 | C3 | H06 | 108.9° | 109.6° |
| C4 | C3 | H07 | 108.8° | 109.6° |
| C7 | C8 | C9 | 121.6° | 121.3° |
| C8 | C7 | N1 | 120.4° | 120.4° |
| C8 | C7 | C10 | 127.5° | 119.8° |
| C8 | C9 | C14 | 112.7° | 109.2° |
| C8 | C9 | H2 | 105.9° | 109.2° |
| C2 | C3 | H06 | 108.9° | 109.6° |
| C2 | C3 | H07 | 108.9° | 109.7° |
| C3 | C2 | H03 | 108.8° | 109.5° |
| C3 | C2 | H02 | 108.8° | 109.5° |
| N1 | C7 | C10 | 112.0° | 119.8° |
| C7 | N1 | H1 | 117.6° | 119.6° |
| O2 | C11 | C12 | 119.7° | 120.1° |
| O2 | C11 | C16 | 119.9° | 120.1° |
| C11 | O2 | H05 | 109.5° | 114.0° |
| O3 | C12 | C11 | 117.5° | 120.1° |
| C7 | C10 | H15 | 109.5° | 109.5° |
| C7 | C10 | H17 | 109.5° | 109.5° |
| C7 | C10 | H16 | 109.5° | 109.5° |
| C14 | C9 | H2 | 106.2° | 109.1° |
| C12 | C11 | C16 | 120.4° | 119.8° |
| C11 | C16 | BR1 | 122.3° | 120.0° |
| H29 | C26 | H31 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.4° |
| H31 | C26 | H30 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.4° | 109.5° |
| H24 | C18 | H23 | 109.4° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H08 | C4 | H09 | 109.5° | 109.5° |
| H06 | C3 | H07 | 109.5° | 109.8° |
| H03 | C2 | H02 | 109.5° | 109.6° |
| H15 | C10 | H17 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | C10 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H27 | 180.0° | 179.8° |
| C24 | C23 | C22 | N2 | 178.3° | 180.0° |
| C24 | C23 | C22 | C21 | 1.4° | 0.0° |
| C24 | C23 | C22 | O5 | 178.9° | 180.0° |
| C23 | C24 | C25 | C20 | 0.4° | 0.1° |
| C24 | C23 | N2 | C19 | 80.6° | 34.3° |
| C23 | C24 | C25 | H28 | 179.6° | 180.0° |
| C24 | C23 | N2 | H04 | 99.5° | 145.7° |
| C25 | C24 | C23 | C22 | 1.3° | 0.0° |
| C25 | C24 | C23 | N2 | 179.5° | 180.0° |
| C24 | C25 | C20 | H28 | 180.0° | 179.9° |
| C24 | C25 | C20 | C21 | 0.4° | 0.1° |
| C24 | C25 | C20 | H25 | 179.6° | 180.0° |
| C23 | C22 | C21 | O5 | 179.6° | 180.0° |
| C23 | C22 | O5 | C26 | 171.8° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C22 | C23 | N2 | C19 | 101.2° | 145.7° |
| C22 | C23 | C24 | H27 | 178.7° | 179.8° |
| C23 | C22 | C21 | H26 | 179.3° | 180.0° |
| C22 | C23 | N2 | H04 | 78.8° | 34.3° |
| N2 | C23 | C22 | C21 | 179.8° | 180.0° |
| N2 | C23 | C22 | O5 | 0.6° | 0.0° |
| C23 | N2 | C19 | C8 | 179.6° | 176.2° |
| C23 | N2 | C19 | H04 | 180.0° | 180.0° |
| C23 | N2 | C19 | O4 | 0.1° | 3.9° |
| N2 | C23 | C24 | H27 | 0.5° | 0.2° |
| C22 | C21 | C20 | C25 | 0.3° | 0.0° |
| C21 | C22 | O5 | C26 | 8.6° | 0.0° |
| C22 | C21 | C20 | H26 | 180.0° | 180.0° |
| C22 | C21 | C20 | H25 | 179.7° | 180.0° |
| O5 | C22 | C21 | C20 | 179.7° | 180.0° |
| C22 | O5 | C26 | H29 | 180.0° | 180.0° |
| C22 | O5 | C26 | H31 | 60.0° | 60.0° |
| C22 | O5 | C26 | H30 | 60.0° | 60.1° |
| O5 | C22 | C21 | H26 | 0.3° | 0.0° |
| C25 | C20 | C21 | H25 | 180.0° | 179.9° |
| C20 | C25 | C24 | H27 | 179.6° | 179.7° |
| C25 | C20 | C21 | H26 | 179.7° | 179.9° |
| O5 | C26 | H29 | H31 | 120.0° | 120.0° |
| O5 | C26 | H29 | H30 | 120.0° | 120.0° |
| O5 | C26 | H31 | H30 | 120.0° | 120.1° |
| C21 | C20 | C25 | H28 | 179.6° | 180.0° |
| C8 | C19 | N2 | O4 | 179.7° | 180.0° |
| C19 | C8 | C9 | C5 | 177.7° | 162.3° |
| C19 | C8 | C7 | C9 | 179.4° | 179.9° |
| C19 | C8 | C7 | N1 | 177.9° | 179.7° |
| C19 | C8 | C7 | C10 | 2.3° | 0.4° |
| C19 | C8 | C9 | C14 | 52.7° | 77.3° |
| C8 | C19 | N2 | H04 | 0.4° | 3.9° |
| C19 | C8 | C9 | H2 | 63.0° | 41.8° |
| N2 | C19 | C8 | C7 | 131.3° | 71.6° |
| N2 | C19 | C8 | C9 | 49.3° | 108.4° |
| O4 | C19 | C8 | C7 | 49.0° | 108.3° |
| O4 | C19 | C8 | C9 | 130.4° | 71.6° |
| O4 | C19 | N2 | H04 | 179.9° | 176.1° |
| C18 | C17 | O3 | H20 | 119.9° | 120.0° |
| C18 | C17 | O3 | H21 | 119.9° | 120.0° |
| C18 | C17 | O3 | C12 | 177.5° | 180.0° |
| C17 | C18 | H22 | H24 | 120.1° | 120.0° |
| C17 | C18 | H22 | H23 | 120.0° | 120.0° |
| C17 | C18 | H24 | H23 | 120.0° | 120.0° |
| C18 | C17 | H20 | H21 | 120.2° | 120.0° |
| C17 | O3 | C12 | C13 | 5.7° | 0.1° |
| C17 | O3 | C12 | C11 | 174.4° | 180.0° |
| O3 | C17 | C18 | H22 | 180.0° | 180.0° |
| O3 | C17 | C18 | H24 | 60.0° | 60.0° |
| O3 | C17 | C18 | H23 | 60.0° | 60.0° |
| O3 | C17 | H20 | H21 | 120.2° | 119.9° |
| C14 | C15 | C16 | H19 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | C9 | 179.6° | 179.9° |
| C15 | C14 | C9 | C5 | 119.9° | 60.0° |
| C15 | C14 | C9 | C8 | 8.2° | 61.5° |
| C14 | C15 | C16 | C11 | 0.5° | 0.0° |
| C14 | C15 | C16 | BR1 | 164.0° | 180.0° |
| C15 | C14 | C13 | H18 | 179.8° | 180.0° |
| C15 | C14 | C9 | H2 | 123.8° | 179.3° |
| C16 | C15 | C14 | C13 | 0.4° | 0.1° |
| C15 | C16 | C11 | O2 | 179.7° | 180.0° |
| C16 | C15 | C14 | C9 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 0.1° | 0.0° |
| C15 | C16 | C11 | BR1 | 162.4° | 180.0° |
| C12 | C13 | C14 | H18 | 180.0° | 179.9° |
| C13 | C12 | C11 | O2 | 179.7° | 180.0° |
| C13 | C12 | O3 | C11 | 179.9° | 179.9° |
| C12 | C13 | C14 | C9 | 179.4° | 180.0° |
| C13 | C12 | C11 | C16 | 0.6° | 0.1° |
| C13 | C14 | C9 | C5 | 60.5° | 120.1° |
| C13 | C14 | C9 | C8 | 171.4° | 118.4° |
| C14 | C13 | C12 | O3 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.7° | 0.1° |
| C13 | C14 | C15 | H19 | 179.6° | 179.8° |
| C13 | C14 | C9 | H2 | 55.8° | 0.8° |
| C5 | C1 | C2 | O1 | 178.7° | 179.7° |
| C1 | C5 | C6 | C9 | 179.3° | 179.8° |
| C1 | C5 | C6 | C4 | 3.0° | 0.7° |
| C1 | C5 | C6 | N1 | 179.1° | 179.2° |
| C1 | C5 | C9 | C8 | 177.7° | 162.2° |
| C5 | C1 | C2 | C3 | 28.3° | 28.2° |
| C1 | C5 | C9 | C14 | 53.5° | 77.4° |
| C5 | C1 | C2 | H03 | 148.7° | 91.6° |
| C5 | C1 | C2 | H02 | 92.1° | 148.1° |
| C1 | C5 | C9 | H2 | 63.0° | 41.8° |
| C2 | C1 | C5 | C6 | 0.0° | 0.6° |
| C2 | C1 | C5 | C9 | 179.3° | 179.5° |
| C1 | C2 | C3 | C4 | 53.5° | 56.6° |
| C1 | C2 | C3 | H03 | 120.4° | 119.9° |
| C1 | C2 | C3 | H02 | 120.4° | 119.9° |
| C1 | C2 | C3 | H06 | 173.9° | 63.1° |
| C1 | C2 | C3 | H07 | 66.8° | 176.4° |
| C1 | C2 | H03 | H02 | 118.7° | 120.2° |
| O1 | C1 | C5 | C6 | 178.7° | 179.1° |
| O1 | C1 | C5 | C9 | 0.6° | 0.7° |
| O1 | C1 | C2 | C3 | 153.0° | 152.0° |
| O1 | C1 | C2 | H03 | 32.5° | 88.1° |
| O1 | C1 | C2 | H02 | 86.6° | 32.1° |
| C5 | C6 | C4 | N1 | 178.0° | 179.9° |
| C5 | C6 | C4 | C3 | 22.1° | 30.8° |
| C6 | C5 | C9 | C8 | 1.6° | 17.9° |
| C5 | C6 | N1 | C7 | 0.2° | 19.1° |
| C6 | C5 | C9 | C14 | 127.2° | 102.4° |
| C5 | C6 | C4 | H08 | 98.0° | 150.8° |
| C5 | C6 | C4 | H09 | 142.3° | 89.2° |
| C5 | C6 | N1 | H1 | 179.7° | 161.0° |
| C6 | C5 | C9 | H2 | 116.3° | 138.4° |
| C4 | C6 | C5 | C9 | 177.7° | 179.2° |
| C6 | C4 | C3 | H08 | 120.1° | 120.0° |
| C6 | C4 | C3 | H09 | 120.1° | 120.0° |
| C6 | C4 | C3 | C2 | 49.5° | 58.2° |
| C4 | C6 | N1 | C7 | 178.3° | 160.8° |
| C6 | C4 | H08 | H09 | 119.6° | 120.0° |
| C6 | C4 | C3 | H06 | 169.9° | 61.4° |
| C6 | C4 | C3 | H07 | 70.9° | 178.0° |
| C4 | C6 | N1 | H1 | 1.7° | 19.1° |
| N1 | C6 | C5 | C9 | 0.2° | 0.9° |
| N1 | C6 | C4 | C3 | 155.9° | 149.1° |
| C6 | N1 | C7 | C8 | 1.1° | 19.5° |
| C6 | N1 | C7 | H1 | 180.0° | 180.0° |
| C6 | N1 | C7 | C10 | 177.2° | 160.6° |
| N1 | C6 | C4 | H08 | 84.0° | 29.1° |
| N1 | C6 | C4 | H09 | 35.7° | 90.9° |
| C5 | C9 | C8 | C7 | 2.9° | 17.7° |
| C5 | C9 | C8 | C14 | 129.6° | 120.4° |
| C5 | C9 | C8 | H2 | 114.7° | 120.4° |
| C5 | C9 | C14 | H2 | 116.4° | 119.3° |
| C4 | C3 | C2 | H06 | 120.4° | 119.7° |
| C4 | C3 | C2 | H07 | 120.3° | 119.8° |
| C3 | C4 | H08 | H09 | 119.6° | 119.9° |
| C4 | C3 | H06 | H07 | 118.8° | 120.5° |
| C4 | C3 | C2 | H03 | 173.9° | 63.3° |
| C4 | C3 | C2 | H02 | 66.9° | 176.5° |
| C8 | C7 | N1 | C10 | 176.2° | 179.9° |
| C7 | C8 | C9 | C14 | 126.7° | 102.7° |
| C8 | C7 | C10 | H15 | 180.0° | 84.8° |
| C8 | C7 | C10 | H17 | 60.0° | 155.2° |
| C8 | C7 | C10 | H16 | 60.0° | 35.2° |
| C8 | C7 | N1 | H1 | 178.9° | 160.6° |
| C7 | C8 | C9 | H2 | 117.6° | 138.1° |
| C9 | C8 | C7 | N1 | 2.7° | 0.2° |
| C9 | C8 | C7 | C10 | 178.2° | 179.7° |
| C8 | C9 | C14 | H2 | 115.5° | 119.2° |
| C2 | C3 | C4 | H08 | 70.6° | 178.2° |
| C2 | C3 | C4 | H09 | 169.6° | 61.8° |
| C2 | C3 | H06 | H07 | 118.9° | 120.5° |
| C3 | C2 | H03 | H02 | 118.7° | 120.2° |
| N1 | C7 | C10 | H15 | 4.2° | 95.2° |
| N1 | C7 | C10 | H17 | 115.8° | 24.9° |
| N1 | C7 | C10 | H16 | 124.2° | 144.9° |
| O2 | C11 | C12 | O3 | 0.2° | 0.1° |
| O2 | C11 | C12 | C16 | 179.7° | 180.0° |
| O2 | C11 | C16 | BR1 | 17.3° | 0.0° |
| O3 | C12 | C11 | C16 | 179.4° | 180.0° |
| C12 | O3 | C17 | H20 | 62.6° | 59.9° |
| C12 | O3 | C17 | H21 | 57.6° | 60.0° |
| O3 | C12 | C13 | H18 | 0.7° | 0.1° |
| C7 | C10 | H15 | H17 | 120.0° | 120.0° |
| C7 | C10 | H15 | H16 | 120.0° | 120.0° |
| C7 | C10 | H17 | H16 | 120.0° | 120.0° |
| C10 | C7 | N1 | H1 | 2.8° | 19.4° |
| C9 | C14 | C15 | H19 | 0.0° | 0.3° |
| C9 | C14 | C13 | H18 | 0.6° | 0.1° |
| C12 | C11 | C16 | BR1 | 162.3° | 180.0° |
| C11 | C12 | C13 | H18 | 179.3° | 180.0° |
| C12 | C11 | O2 | H05 | 180.0° | 90.0° |
| C11 | C16 | C15 | H19 | 179.5° | 179.7° |
| C16 | C11 | O2 | H05 | 0.4° | 90.0° |
| BR1 | C16 | C15 | H19 | 16.0° | 0.3° |
| H27 | C24 | C25 | H28 | 0.4° | 0.2° |
| H28 | C25 | C20 | H25 | 0.4° | 0.1° |
| H29 | C26 | H31 | H30 | 120.0° | 120.0° |
| H26 | C21 | C20 | H25 | 0.3° | 0.0° |
| H22 | C18 | H24 | H23 | 119.9° | 120.0° |
| H22 | C18 | C17 | H20 | 60.1° | 60.0° |
| H22 | C18 | C17 | H21 | 60.0° | 60.0° |
| H24 | C18 | C17 | H20 | 59.9° | 60.0° |
| H24 | C18 | C17 | H21 | 179.9° | 180.0° |
| H23 | C18 | C17 | H20 | 179.9° | 180.0° |
| H23 | C18 | C17 | H21 | 59.9° | 60.0° |
| H08 | C4 | C3 | H06 | 49.8° | 58.5° |
| H08 | C4 | C3 | H07 | 169.0° | 62.0° |
| H09 | C4 | C3 | H06 | 70.0° | 178.5° |
| H09 | C4 | C3 | H07 | 49.3° | 58.0° |
| H06 | C3 | C2 | H03 | 65.7° | 177.0° |
| H06 | C3 | C2 | H02 | 53.5° | 56.8° |
| H07 | C3 | C2 | H03 | 53.6° | 56.5° |
| H07 | C3 | C2 | H02 | 172.7° | 63.7° |
| H15 | C10 | H17 | H16 | 120.0° | 120.0° |
