A1IQ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C6 | sing | 1.36Å | 1.36Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.50Å | |
| C9 | O3 | doub | 1.21Å | 1.26Å | |
| C9 | O4 | sing | 1.35Å | 1.26Å | |
| C8 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.47Å | |
| C13 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.38Å | Aromatic |
| N2 | C14 | sing | 1.35Å | 1.41Å | |
| C14 | O5 | doub | 1.22Å | 1.21Å | |
| C14 | C15 | sing | 1.48Å | 1.49Å | |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.74Å | |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | F1 | sing | 1.40Å | 1.32Å | |
| C21 | F2 | sing | 1.40Å | 1.33Å | |
| C21 | F3 | sing | 1.40Å | 1.32Å | |
| N2 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | CL2 | sing | 1.74Å | 1.75Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | O6 | sing | 1.36Å | 1.37Å | |
| O6 | C30 | sing | 1.43Å | 1.43Å | |
| C29 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C27 | sing | 1.47Å | 1.43Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 117.8° | 117.0° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| O1 | C1 | H2 | 109.4° | 109.5° |
| O1 | C2 | C3 | 117.4° | 120.0° |
| O1 | C2 | C31 | 121.9° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.1° |
| C3 | C2 | C31 | 120.7° | 119.9° |
| C2 | C3 | H4 | 120.0° | 119.9° |
| C3 | C4 | C5 | 118.8° | 120.0° |
| C3 | C4 | C28 | 120.0° | 120.1° |
| C4 | C3 | H4 | 120.0° | 120.0° |
| C4 | C5 | O2 | 107.7° | 109.5° |
| C5 | C4 | C28 | 121.2° | 119.9° |
| C4 | C5 | H5 | 109.9° | 109.4° |
| C4 | C5 | H6 | 109.9° | 109.5° |
| C5 | O2 | C6 | 116.6° | 117.0° |
| O2 | C5 | H5 | 109.9° | 109.4° |
| O2 | C5 | H6 | 109.9° | 109.5° |
| O2 | C6 | C7 | 116.8° | 120.1° |
| O2 | C6 | C12 | 122.6° | 120.0° |
| C6 | C7 | C8 | 120.6° | 120.0° |
| C7 | C6 | C12 | 120.4° | 119.9° |
| C6 | C7 | H7 | 119.7° | 120.0° |
| C7 | C8 | C9 | 118.7° | 120.0° |
| C7 | C8 | C10 | 119.7° | 120.0° |
| C8 | C7 | H7 | 119.7° | 120.0° |
| C8 | C9 | O3 | 116.4° | 120.0° |
| C8 | C9 | O4 | 118.5° | 120.0° |
| C9 | C8 | C10 | 121.6° | 120.0° |
| O3 | C9 | O4 | 125.1° | 120.0° |
| C9 | O4 | H21 | 109.5° | 117.0° |
| C8 | C10 | C11 | 119.9° | 120.1° |
| C8 | C10 | H8 | 120.0° | 119.9° |
| C10 | C11 | C12 | 121.2° | 120.1° |
| C10 | C11 | H9 | 119.4° | 119.9° |
| C11 | C10 | H8 | 120.0° | 120.0° |
| C11 | C12 | C13 | 118.7° | 120.0° |
| C11 | C12 | C6 | 118.0° | 120.0° |
| C12 | C11 | H9 | 119.4° | 120.0° |
| C12 | C13 | N1 | 119.5° | 126.2° |
| C13 | C12 | C6 | 123.0° | 120.0° |
| C12 | C13 | C27 | 130.8° | 126.2° |
| C13 | N1 | N2 | 107.6° | 110.0° |
| N1 | C13 | C27 | 109.5° | 107.6° |
| N1 | N2 | C14 | 122.4° | 125.4° |
| N1 | N2 | C22 | 110.6° | 109.2° |
| N2 | C14 | O5 | 119.3° | 120.0° |
| N2 | C14 | C15 | 119.2° | 120.0° |
| C14 | N2 | C22 | 127.0° | 125.3° |
| O5 | C14 | C15 | 121.5° | 120.0° |
| C14 | C15 | C16 | 118.4° | 120.1° |
| C14 | C15 | C20 | 122.4° | 120.2° |
| C15 | C16 | CL1 | 120.8° | 120.1° |
| C15 | C16 | C17 | 121.2° | 119.8° |
| C16 | C15 | C20 | 119.3° | 119.7° |
| CL1 | C16 | C17 | 118.0° | 120.1° |
| C16 | C17 | C18 | 119.3° | 120.1° |
| C16 | C17 | H10 | 120.4° | 119.9° |
| C17 | C18 | C19 | 120.5° | 120.3° |
| C18 | C17 | H10 | 120.3° | 119.9° |
| C17 | C18 | H11 | 119.7° | 119.8° |
| C18 | C19 | C20 | 121.0° | 120.2° |
| C19 | C18 | H11 | 119.7° | 119.8° |
| C18 | C19 | H12 | 119.5° | 119.9° |
| C19 | C20 | C21 | 118.1° | 120.1° |
| C19 | C20 | C15 | 118.7° | 119.9° |
| C20 | C19 | H12 | 119.5° | 119.9° |
| C20 | C21 | F1 | 114.3° | 109.5° |
| C20 | C21 | F2 | 112.6° | 109.5° |
| C20 | C21 | F3 | 113.0° | 109.5° |
| C21 | C20 | C15 | 123.2° | 120.1° |
| F1 | C21 | F2 | 106.3° | 109.5° |
| F1 | C21 | F3 | 104.6° | 109.4° |
| F2 | C21 | F3 | 105.2° | 109.4° |
| N2 | C22 | C23 | 132.4° | 133.6° |
| N2 | C22 | C27 | 105.5° | 106.8° |
| C22 | C23 | C24 | 118.0° | 119.9° |
| C23 | C22 | C27 | 122.1° | 119.6° |
| C22 | C23 | H13 | 121.0° | 120.0° |
| C23 | C24 | C25 | 119.9° | 120.6° |
| C24 | C23 | H13 | 121.0° | 120.1° |
| C23 | C24 | H14 | 120.0° | 119.7° |
| C24 | C25 | CL2 | 118.3° | 119.8° |
| C24 | C25 | C26 | 123.0° | 120.4° |
| C25 | C24 | H14 | 120.0° | 119.7° |
| CL2 | C25 | C26 | 118.7° | 119.8° |
| C25 | C26 | C27 | 117.6° | 119.7° |
| C25 | C26 | H15 | 121.2° | 120.1° |
| C26 | C27 | C13 | 133.9° | 133.8° |
| C26 | C27 | C22 | 119.4° | 119.8° |
| C27 | C26 | H15 | 121.2° | 120.2° |
| C4 | C28 | C29 | 119.8° | 120.1° |
| C4 | C28 | H16 | 120.1° | 120.0° |
| C28 | C29 | O6 | 119.0° | 120.1° |
| C28 | C29 | C31 | 120.8° | 119.9° |
| C29 | C28 | H16 | 120.1° | 119.9° |
| C29 | O6 | C30 | 117.5° | 117.0° |
| O6 | C29 | C31 | 120.3° | 120.0° |
| O6 | C30 | H19 | 109.5° | 109.5° |
| O6 | C30 | H18 | 109.5° | 109.5° |
| O6 | C30 | H17 | 109.5° | 109.5° |
| C29 | C31 | C2 | 118.7° | 119.9° |
| C29 | C31 | H20 | 120.7° | 120.0° |
| C2 | C31 | H20 | 120.6° | 120.1° |
| C13 | C27 | C22 | 106.7° | 106.4° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H19 | C30 | H18 | 109.4° | 109.4° |
| H19 | C30 | H17 | 109.5° | 109.5° |
| H18 | C30 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 6.5° | 180.0° |
| C1 | O1 | C2 | C31 | 174.9° | 0.0° |
| O1 | C1 | H3 | H1 | 120.0° | 119.9° |
| O1 | C1 | H3 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C2 | C3 | C31 | 178.6° | 180.0° |
| O1 | C2 | C3 | C4 | 179.9° | 180.0° |
| O1 | C2 | C31 | C29 | 179.2° | 179.7° |
| O1 | C2 | C3 | H4 | 0.0° | 0.0° |
| C2 | O1 | C1 | H3 | 180.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| O1 | C2 | C31 | H20 | 0.8° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 179.9° | 180.0° |
| C2 | C3 | C4 | C28 | 1.3° | 0.3° |
| C3 | C2 | C31 | C29 | 0.7° | 0.3° |
| C3 | C2 | C31 | H20 | 179.2° | 179.9° |
| C3 | C4 | C5 | C28 | 178.6° | 179.7° |
| C3 | C4 | C5 | O2 | 38.5° | 94.7° |
| C3 | C4 | C28 | C29 | 0.3° | 0.2° |
| C4 | C3 | C2 | C31 | 1.5° | 0.0° |
| C3 | C4 | C5 | H5 | 158.2° | 25.3° |
| C3 | C4 | C5 | H6 | 81.3° | 145.3° |
| C3 | C4 | C28 | H16 | 179.7° | 179.7° |
| C4 | C5 | O2 | H5 | 119.7° | 120.0° |
| C4 | C5 | O2 | H6 | 119.7° | 120.1° |
| C4 | C5 | O2 | C6 | 160.1° | 175.0° |
| C5 | C4 | C28 | C29 | 178.9° | 179.9° |
| C4 | C5 | H5 | H6 | 120.8° | 120.0° |
| C5 | C4 | C3 | H4 | 0.1° | 0.1° |
| C5 | C4 | C28 | H16 | 1.1° | 0.0° |
| C5 | O2 | C6 | C7 | 13.5° | 5.1° |
| O2 | C5 | C4 | C28 | 140.2° | 85.0° |
| C5 | O2 | C6 | C12 | 161.1° | 175.1° |
| O2 | C5 | H5 | H6 | 120.8° | 120.0° |
| O2 | C6 | C7 | C12 | 174.7° | 179.7° |
| O2 | C6 | C7 | C8 | 178.0° | 179.8° |
| O2 | C6 | C12 | C11 | 178.8° | 179.6° |
| O2 | C6 | C12 | C13 | 7.2° | 0.2° |
| C6 | O2 | C5 | H5 | 40.4° | 55.0° |
| C6 | O2 | C5 | H6 | 80.2° | 64.9° |
| O2 | C6 | C7 | H7 | 2.0° | 0.3° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 178.8° | 180.0° |
| C6 | C7 | C8 | C10 | 0.9° | 0.1° |
| C7 | C6 | C12 | C11 | 4.3° | 0.1° |
| C7 | C6 | C12 | C13 | 178.4° | 179.9° |
| C7 | C8 | C9 | C10 | 179.7° | 179.9° |
| C7 | C8 | C9 | O3 | 14.5° | 0.0° |
| C7 | C8 | C9 | O4 | 164.3° | 179.9° |
| C7 | C8 | C10 | C11 | 0.2° | 0.0° |
| C8 | C7 | C6 | C12 | 3.2° | 0.0° |
| C7 | C8 | C10 | H8 | 179.8° | 180.0° |
| C8 | C9 | O3 | O4 | 178.7° | 179.9° |
| C9 | C8 | C10 | C11 | 179.9° | 180.0° |
| C9 | C8 | C7 | H7 | 1.2° | 0.0° |
| C9 | C8 | C10 | H8 | 0.1° | 0.0° |
| C8 | C9 | O4 | H21 | 178.7° | 180.0° |
| O3 | C9 | C8 | C10 | 165.8° | 180.0° |
| O3 | C9 | O4 | H21 | 0.0° | 0.1° |
| O4 | C9 | C8 | C10 | 15.4° | 0.0° |
| C8 | C10 | C11 | H8 | 180.0° | 180.0° |
| C8 | C10 | C11 | C12 | 1.0° | 0.1° |
| C8 | C10 | C11 | H9 | 179.0° | 179.9° |
| C10 | C8 | C7 | H7 | 179.1° | 180.0° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 177.6° | 180.0° |
| C10 | C11 | C12 | C6 | 3.2° | 0.1° |
| C11 | C12 | C13 | C6 | 174.0° | 179.8° |
| C11 | C12 | C13 | N1 | 48.3° | 138.6° |
| C11 | C12 | C13 | C27 | 125.9° | 41.8° |
| C12 | C11 | C10 | H8 | 179.0° | 179.9° |
| C12 | C13 | N1 | C27 | 175.4° | 179.6° |
| C12 | C13 | N1 | N2 | 178.3° | 179.9° |
| C12 | C13 | C27 | C26 | 3.8° | 0.8° |
| C12 | C13 | C27 | C22 | 176.5° | 179.9° |
| C13 | C12 | C11 | H9 | 2.4° | 0.2° |
| C13 | N1 | N2 | C14 | 179.5° | 179.9° |
| C13 | N1 | N2 | C22 | 3.0° | 0.1° |
| N1 | C13 | C27 | C26 | 178.5° | 179.6° |
| N1 | C13 | C12 | C6 | 137.7° | 41.2° |
| N1 | C13 | C27 | C22 | 1.9° | 0.4° |
| N1 | N2 | C14 | C22 | 175.8° | 180.0° |
| N1 | N2 | C14 | O5 | 162.5° | 93.8° |
| N1 | N2 | C14 | C15 | 18.7° | 86.2° |
| N1 | N2 | C22 | C23 | 178.9° | 179.9° |
| N2 | N1 | C13 | C27 | 3.0° | 0.3° |
| N1 | N2 | C22 | C27 | 1.8° | 0.2° |
| N2 | C14 | O5 | C15 | 178.8° | 179.9° |
| N2 | C14 | C15 | C16 | 54.6° | 4.4° |
| C14 | N2 | C22 | C23 | 2.6° | 0.1° |
| N2 | C14 | C15 | C20 | 125.0° | 175.9° |
| C14 | N2 | C22 | C27 | 178.1° | 179.8° |
| O5 | C14 | C15 | C16 | 124.3° | 175.5° |
| O5 | C14 | N2 | C22 | 21.7° | 86.3° |
| O5 | C14 | C15 | C20 | 56.2° | 4.2° |
| C14 | C15 | C16 | C20 | 179.6° | 179.7° |
| C14 | C15 | C16 | CL1 | 0.0° | 0.0° |
| C14 | C15 | C16 | C17 | 179.5° | 180.0° |
| C14 | C15 | C20 | C19 | 179.9° | 179.7° |
| C14 | C15 | C20 | C21 | 2.1° | 0.1° |
| C15 | C14 | N2 | C22 | 157.1° | 93.8° |
| C15 | C16 | CL1 | C17 | 179.5° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C20 | C19 | 0.6° | 0.5° |
| C16 | C15 | C20 | C21 | 178.4° | 179.7° |
| C15 | C16 | C17 | H10 | 179.8° | 180.0° |
| CL1 | C16 | C17 | C18 | 179.8° | 180.0° |
| CL1 | C16 | C15 | C20 | 179.6° | 179.7° |
| CL1 | C16 | C17 | H10 | 0.2° | 0.0° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C16 | C15 | C20 | 0.1° | 0.3° |
| C16 | C17 | C18 | H11 | 179.8° | 179.9° |
| C17 | C18 | C19 | H11 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.9° | 0.2° |
| C17 | C18 | C19 | H12 | 179.1° | 180.0° |
| C18 | C19 | C20 | H12 | 180.0° | 179.8° |
| C18 | C19 | C20 | C21 | 179.0° | 179.7° |
| C18 | C19 | C20 | C15 | 1.0° | 0.5° |
| C19 | C18 | C17 | H10 | 179.8° | 180.0° |
| C19 | C20 | C21 | C15 | 177.9° | 179.8° |
| C19 | C20 | C21 | F1 | 153.2° | 0.2° |
| C19 | C20 | C21 | F2 | 85.3° | 120.2° |
| C19 | C20 | C21 | F3 | 33.7° | 119.8° |
| C20 | C19 | C18 | H11 | 179.1° | 179.7° |
| C20 | C21 | F1 | F2 | 124.9° | 120.1° |
| C20 | C21 | F1 | F3 | 124.1° | 120.0° |
| C20 | C21 | F2 | F3 | 123.5° | 120.0° |
| C21 | C20 | C19 | H12 | 1.0° | 0.1° |
| F1 | C21 | F2 | F3 | 110.6° | 119.9° |
| F1 | C21 | C20 | C15 | 28.9° | 180.0° |
| F2 | C21 | C20 | C15 | 92.5° | 60.0° |
| F3 | C21 | C20 | C15 | 148.4° | 60.0° |
| N2 | C22 | C23 | C27 | 179.2° | 179.7° |
| N2 | C22 | C23 | C24 | 179.3° | 180.0° |
| N2 | C22 | C27 | C26 | 179.7° | 179.7° |
| N2 | C22 | C27 | C13 | 0.0° | 0.4° |
| N2 | C22 | C23 | H13 | 0.7° | 0.1° |
| C22 | C23 | C24 | H13 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.5° | 0.0° |
| C23 | C22 | C27 | C26 | 0.3° | 0.6° |
| C23 | C22 | C27 | C13 | 179.4° | 179.8° |
| C22 | C23 | C24 | H14 | 178.5° | 180.0° |
| C23 | C24 | C25 | H14 | 180.0° | 180.0° |
| C23 | C24 | C25 | CL2 | 179.6° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 0.0° |
| C24 | C23 | C22 | C27 | 1.5° | 0.3° |
| C24 | C25 | CL2 | C26 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.7° | 0.3° |
| C25 | C24 | C23 | H13 | 178.5° | 179.9° |
| C24 | C25 | C26 | H15 | 179.3° | 180.0° |
| CL2 | C25 | C26 | C27 | 179.3° | 179.7° |
| CL2 | C25 | C24 | H14 | 0.4° | 0.0° |
| CL2 | C25 | C26 | H15 | 0.7° | 0.0° |
| C25 | C26 | C27 | H15 | 180.0° | 179.8° |
| C25 | C26 | C27 | C13 | 179.6° | 179.6° |
| C25 | C26 | C27 | C22 | 0.8° | 0.6° |
| C26 | C25 | C24 | H14 | 179.5° | 180.0° |
| C26 | C27 | C13 | C22 | 179.6° | 179.1° |
| C4 | C28 | C29 | H16 | 180.0° | 179.9° |
| C4 | C28 | C29 | O6 | 179.5° | 180.0° |
| C4 | C28 | C29 | C31 | 0.4° | 0.1° |
| C28 | C4 | C5 | H5 | 20.5° | 155.0° |
| C28 | C4 | C5 | H6 | 100.1° | 35.0° |
| C28 | C4 | C3 | H4 | 178.7° | 179.8° |
| C28 | C29 | O6 | C31 | 179.0° | 180.0° |
| C28 | C29 | O6 | C30 | 6.6° | 180.0° |
| C28 | C29 | C31 | C2 | 0.2° | 0.3° |
| C28 | C29 | C31 | H20 | 179.8° | 180.0° |
| O6 | C29 | C31 | C2 | 179.2° | 179.7° |
| O6 | C29 | C28 | H16 | 0.5° | 0.0° |
| C29 | O6 | C30 | H19 | 180.0° | 60.0° |
| C29 | O6 | C30 | H18 | 60.0° | 60.0° |
| C29 | O6 | C30 | H17 | 60.0° | 180.0° |
| O6 | C29 | C31 | H20 | 0.8° | 0.0° |
| C30 | O6 | C29 | C31 | 172.4° | 0.0° |
| O6 | C30 | H19 | H18 | 120.0° | 120.0° |
| O6 | C30 | H19 | H17 | 120.0° | 120.0° |
| O6 | C30 | H18 | H17 | 120.0° | 120.0° |
| C29 | C31 | C2 | H20 | 180.0° | 179.7° |
| C31 | C29 | C28 | H16 | 179.5° | 180.0° |
| C31 | C2 | C3 | H4 | 178.5° | 180.0° |
| C6 | C12 | C13 | C27 | 48.1° | 138.3° |
| C6 | C12 | C11 | H9 | 176.8° | 180.0° |
| C12 | C6 | C7 | H7 | 176.8° | 180.0° |
| C13 | C27 | C26 | H15 | 0.4° | 0.6° |
| C15 | C20 | C19 | H12 | 179.0° | 179.7° |
| C27 | C22 | C23 | H13 | 178.6° | 179.8° |
| C22 | C27 | C26 | H15 | 179.2° | 179.7° |
| H9 | C11 | C10 | H8 | 1.0° | 0.0° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H10 | C17 | C18 | H11 | 0.2° | 0.1° |
| H11 | C18 | C19 | H12 | 0.9° | 0.1° |
| H13 | C23 | C24 | H14 | 1.5° | 0.0° |
| H19 | C30 | H18 | H17 | 120.0° | 120.0° |
