QCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C2 | sing | 1.51Å | 1.49Å | |
| N2 | C2 | doub | 1.31Å | 1.31Å | Aromatic |
| N2 | C1 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| O3 | C7 | doub | 1.21Å | 1.18Å | |
| C7 | O2 | sing | 1.34Å | 1.26Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| O1 | C6 | sing | 1.43Å | 1.42Å | |
| O1 | C22 | sing | 1.43Å | 1.45Å | |
| C24 | C22 | sing | 1.53Å | 1.50Å | |
| C3 | C6 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | doub | 1.38Å | 1.35Å | Aromatic |
| C25 | C22 | sing | 1.53Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| N1 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N1 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.47Å | |
| C14 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.47Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| C27 | C13 | sing | 1.51Å | 1.51Å | |
| C5 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | C26 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | F1 | sing | 1.35Å | 1.33Å | |
| C26 | C29 | sing | 1.53Å | 1.48Å | |
| C11 | O4 | sing | 1.36Å | 1.36Å | |
| O4 | C28 | sing | 1.43Å | 1.41Å | |
| C29 | C28 | sing | 1.53Å | 1.48Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C2 | N2 | 116.4° | 119.7° |
| C8 | C2 | C3 | 120.7° | 119.8° |
| C2 | C8 | H3 | 109.5° | 109.5° |
| C2 | C8 | H4 | 109.5° | 109.5° |
| C2 | C8 | H2 | 109.5° | 109.4° |
| C2 | N2 | C1 | 118.3° | 121.2° |
| N2 | C2 | C3 | 122.9° | 120.5° |
| N2 | C1 | C15 | 133.0° | 132.3° |
| N2 | C1 | N1 | 121.3° | 120.7° |
| C2 | C3 | C6 | 122.8° | 120.4° |
| C2 | C3 | C4 | 117.9° | 119.2° |
| C1 | C15 | C14 | 105.7° | 107.6° |
| C15 | C1 | N1 | 105.7° | 107.1° |
| C1 | C15 | H6 | 127.1° | 126.2° |
| C15 | C14 | C16 | 128.1° | 125.6° |
| C15 | C14 | N3 | 111.6° | 108.7° |
| C14 | C15 | H6 | 127.1° | 126.2° |
| C1 | N1 | C4 | 120.5° | 119.7° |
| C1 | N1 | N3 | 112.6° | 107.9° |
| O3 | C7 | O2 | 124.2° | 120.0° |
| O3 | C7 | C6 | 122.7° | 120.0° |
| O2 | C7 | C6 | 113.1° | 120.0° |
| C7 | O2 | H12 | 109.5° | 117.0° |
| C7 | C6 | O1 | 107.4° | 109.4° |
| C7 | C6 | C3 | 108.5° | 109.5° |
| C7 | C6 | H1 | 109.7° | 109.5° |
| C6 | O1 | C22 | 121.2° | 114.0° |
| O1 | C6 | C3 | 109.9° | 109.4° |
| O1 | C6 | H1 | 111.2° | 109.5° |
| O1 | C22 | C24 | 104.1° | 109.5° |
| O1 | C22 | C25 | 107.4° | 109.5° |
| O1 | C22 | C23 | 111.0° | 109.5° |
| C24 | C22 | C25 | 111.4° | 109.5° |
| C24 | C22 | C23 | 111.0° | 109.5° |
| C22 | C24 | H18 | 109.5° | 109.5° |
| C22 | C24 | H16 | 109.5° | 109.5° |
| C22 | C24 | H17 | 109.4° | 109.5° |
| C6 | C3 | C4 | 119.3° | 120.4° |
| C3 | C6 | H1 | 110.0° | 109.5° |
| C3 | C4 | N1 | 119.1° | 118.8° |
| C3 | C4 | C5 | 124.1° | 120.6° |
| C25 | C22 | C23 | 111.6° | 109.5° |
| C22 | C25 | H21 | 109.5° | 109.4° |
| C22 | C25 | H19 | 109.5° | 109.4° |
| C22 | C25 | H20 | 109.4° | 109.4° |
| C22 | C23 | H15 | 109.5° | 109.5° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C22 | C23 | H13 | 109.5° | 109.4° |
| C4 | N1 | N3 | 126.9° | 132.4° |
| N1 | C4 | C5 | 116.7° | 120.6° |
| N1 | N3 | C14 | 104.3° | 108.8° |
| C16 | C14 | N3 | 120.2° | 125.7° |
| C14 | C16 | C21 | 120.6° | 120.1° |
| C14 | C16 | C17 | 121.0° | 120.1° |
| C16 | C21 | C20 | 120.4° | 119.9° |
| C21 | C16 | C17 | 118.4° | 119.8° |
| C16 | C21 | H11 | 119.8° | 120.1° |
| C21 | C20 | C19 | 120.5° | 120.1° |
| C21 | C20 | H10 | 119.7° | 119.9° |
| C20 | C21 | H11 | 119.8° | 120.1° |
| C4 | C5 | C13 | 122.5° | 120.1° |
| C4 | C5 | C9 | 118.5° | 120.2° |
| C16 | C17 | C18 | 120.4° | 119.8° |
| C16 | C17 | H7 | 119.8° | 120.1° |
| C20 | C19 | C18 | 119.8° | 120.3° |
| C20 | C19 | H9 | 120.1° | 119.9° |
| C19 | C20 | H10 | 119.8° | 119.9° |
| C17 | C18 | C19 | 120.5° | 120.1° |
| C17 | C18 | H8 | 119.8° | 119.9° |
| C18 | C17 | H7 | 119.8° | 120.0° |
| C19 | C18 | H8 | 119.7° | 120.0° |
| C18 | C19 | H9 | 120.1° | 119.8° |
| C27 | C13 | C5 | 120.3° | 119.9° |
| C27 | C13 | C12 | 119.3° | 119.8° |
| C13 | C27 | H25 | 109.5° | 109.5° |
| C13 | C27 | H26 | 109.5° | 109.4° |
| C13 | C27 | H24 | 109.5° | 109.5° |
| C13 | C5 | C9 | 119.0° | 119.7° |
| C5 | C13 | C12 | 120.4° | 120.2° |
| C5 | C9 | C10 | 119.6° | 119.8° |
| C5 | C9 | H5 | 120.2° | 120.1° |
| C13 | C12 | C26 | 121.0° | 118.7° |
| C13 | C12 | C11 | 119.0° | 120.0° |
| C9 | C10 | C11 | 122.6° | 120.4° |
| C9 | C10 | F1 | 119.2° | 119.8° |
| C10 | C9 | H5 | 120.2° | 120.1° |
| C26 | C12 | C11 | 119.9° | 121.3° |
| C12 | C26 | C29 | 111.5° | 109.7° |
| C12 | C26 | H23 | 109.0° | 109.4° |
| C12 | C26 | H22 | 108.9° | 109.4° |
| C12 | C11 | C10 | 119.4° | 119.9° |
| C12 | C11 | O4 | 122.7° | 121.8° |
| C11 | C10 | F1 | 118.2° | 119.8° |
| C10 | C11 | O4 | 117.9° | 118.3° |
| C26 | C29 | C28 | 108.8° | 108.3° |
| C29 | C26 | H23 | 108.9° | 109.4° |
| C29 | C26 | H22 | 109.0° | 109.5° |
| C26 | C29 | H30 | 109.7° | 109.7° |
| C26 | C29 | H29 | 109.6° | 109.7° |
| C11 | O4 | C28 | 115.0° | 117.9° |
| O4 | C28 | C29 | 112.3° | 108.3° |
| O4 | C28 | H28 | 108.8° | 109.7° |
| O4 | C28 | H27 | 108.8° | 109.7° |
| C29 | C28 | H28 | 108.7° | 109.7° |
| C29 | C28 | H27 | 108.8° | 109.7° |
| C28 | C29 | H30 | 109.6° | 109.7° |
| C28 | C29 | H29 | 109.6° | 109.7° |
| H15 | C23 | H14 | 109.5° | 109.5° |
| H15 | C23 | H13 | 109.5° | 109.5° |
| H14 | C23 | H13 | 109.4° | 109.5° |
| H18 | C24 | H16 | 109.5° | 109.5° |
| H18 | C24 | H17 | 109.4° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H24 | 109.4° | 109.5° |
| H26 | C27 | H24 | 109.5° | 109.4° |
| H21 | C25 | H19 | 109.5° | 109.5° |
| H21 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H23 | C26 | H22 | 109.5° | 109.4° |
| H28 | C28 | H27 | 109.5° | 109.7° |
| H30 | C29 | H29 | 109.4° | 109.8° |
| H3 | C8 | H4 | 109.4° | 109.5° |
| H3 | C8 | H2 | 109.5° | 109.5° |
| H4 | C8 | H2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C2 | N2 | C3 | 178.7° | 180.0° |
| C8 | C2 | N2 | C1 | 177.1° | 180.0° |
| C8 | C2 | C3 | C6 | 1.9° | 0.0° |
| C8 | C2 | C3 | C4 | 178.2° | 180.0° |
| C2 | C8 | H3 | H4 | 120.0° | 120.0° |
| C2 | C8 | H3 | H2 | 120.0° | 120.0° |
| C2 | C8 | H4 | H2 | 120.0° | 119.9° |
| C2 | N2 | C1 | C15 | 175.8° | 180.0° |
| C2 | N2 | C1 | N1 | 1.1° | 0.1° |
| N2 | C2 | C3 | C6 | 179.4° | 180.0° |
| N2 | C2 | C3 | C4 | 0.4° | 0.1° |
| N2 | C2 | C8 | H3 | 0.0° | 90.0° |
| N2 | C2 | C8 | H4 | 120.0° | 30.0° |
| N2 | C2 | C8 | H2 | 120.0° | 150.0° |
| C1 | N2 | C2 | C3 | 1.6° | 0.0° |
| N2 | C1 | C15 | N1 | 177.3° | 179.9° |
| N2 | C1 | C15 | C14 | 176.6° | 180.0° |
| N2 | C1 | N1 | C4 | 0.5° | 0.1° |
| N2 | C1 | N1 | N3 | 177.8° | 180.0° |
| N2 | C1 | C15 | H6 | 3.4° | 0.2° |
| C2 | C3 | C6 | C7 | 68.8° | 64.9° |
| C2 | C3 | C6 | O1 | 48.4° | 55.0° |
| C2 | C3 | C6 | C4 | 179.9° | 179.9° |
| C2 | C3 | C4 | N1 | 1.2° | 0.1° |
| C2 | C3 | C4 | C5 | 175.1° | 180.0° |
| C2 | C3 | C6 | H1 | 171.2° | 175.0° |
| C3 | C2 | C8 | H3 | 178.7° | 90.0° |
| C3 | C2 | C8 | H4 | 61.3° | 149.9° |
| C3 | C2 | C8 | H2 | 58.7° | 30.0° |
| C1 | C15 | C14 | H6 | 180.0° | 179.8° |
| C15 | C1 | N1 | C4 | 178.2° | 180.0° |
| C15 | C1 | N1 | N3 | 0.2° | 0.0° |
| C1 | C15 | C14 | C16 | 176.0° | 180.0° |
| C1 | C15 | C14 | N3 | 1.3° | 0.1° |
| C14 | C15 | C1 | N1 | 0.7° | 0.1° |
| C15 | C14 | N3 | N1 | 1.4° | 0.0° |
| C15 | C14 | C16 | N3 | 177.2° | 179.9° |
| C15 | C14 | C16 | C21 | 40.6° | 0.0° |
| C15 | C14 | C16 | C17 | 138.5° | 180.0° |
| C1 | N1 | C4 | C3 | 1.7° | 0.1° |
| C1 | N1 | C4 | N3 | 178.1° | 179.9° |
| C1 | N1 | N3 | C14 | 1.0° | 0.0° |
| C1 | N1 | C4 | C5 | 174.9° | 180.0° |
| N1 | C1 | C15 | H6 | 179.3° | 179.7° |
| O3 | C7 | O2 | C6 | 179.2° | 179.9° |
| O3 | C7 | C6 | O1 | 134.2° | 5.0° |
| O3 | C7 | C6 | C3 | 15.4° | 115.0° |
| O3 | C7 | C6 | H1 | 104.8° | 125.0° |
| O3 | C7 | O2 | H12 | 0.0° | 0.1° |
| O2 | C7 | C6 | O1 | 46.6° | 175.0° |
| O2 | C7 | C6 | C3 | 165.4° | 65.1° |
| O2 | C7 | C6 | H1 | 74.4° | 55.0° |
| C7 | C6 | O1 | C3 | 117.9° | 120.0° |
| C7 | C6 | O1 | H1 | 120.1° | 120.0° |
| C7 | C6 | O1 | C22 | 158.3° | 90.0° |
| C7 | C6 | C3 | H1 | 120.0° | 120.1° |
| C7 | C6 | C3 | C4 | 111.3° | 115.0° |
| C6 | C7 | O2 | H12 | 179.2° | 180.0° |
| C6 | O1 | C22 | C24 | 164.3° | 60.0° |
| O1 | C6 | C3 | H1 | 122.8° | 120.0° |
| O1 | C6 | C3 | C4 | 131.4° | 125.1° |
| C6 | O1 | C22 | C25 | 77.5° | 180.0° |
| C6 | O1 | C22 | C23 | 44.7° | 60.0° |
| O1 | C22 | C24 | C25 | 115.4° | 120.0° |
| O1 | C22 | C24 | C23 | 119.5° | 120.0° |
| C22 | O1 | C6 | C3 | 83.8° | 150.0° |
| O1 | C22 | C25 | C23 | 121.8° | 120.0° |
| O1 | C22 | C23 | H15 | 180.0° | 60.0° |
| O1 | C22 | C23 | H14 | 60.0° | 60.0° |
| O1 | C22 | C23 | H13 | 60.0° | 180.0° |
| O1 | C22 | C24 | H18 | 180.0° | 180.0° |
| O1 | C22 | C24 | H16 | 60.0° | 60.0° |
| O1 | C22 | C24 | H17 | 60.0° | 60.0° |
| O1 | C22 | C25 | H21 | 180.0° | 60.0° |
| O1 | C22 | C25 | H19 | 60.0° | 60.0° |
| O1 | C22 | C25 | H20 | 60.0° | 180.0° |
| C22 | O1 | C6 | H1 | 38.2° | 30.0° |
| C24 | C22 | C25 | C23 | 124.8° | 120.0° |
| C24 | C22 | C23 | H15 | 64.7° | 60.0° |
| C24 | C22 | C23 | H14 | 175.3° | 180.0° |
| C24 | C22 | C23 | H13 | 55.3° | 60.0° |
| C22 | C24 | H18 | H16 | 120.1° | 120.0° |
| C22 | C24 | H18 | H17 | 120.0° | 120.0° |
| C22 | C24 | H16 | H17 | 120.0° | 120.0° |
| C24 | C22 | C25 | H21 | 66.6° | 180.0° |
| C24 | C22 | C25 | H19 | 53.4° | 60.0° |
| C24 | C22 | C25 | H20 | 173.4° | 60.0° |
| C6 | C3 | C4 | N1 | 178.9° | 180.0° |
| C6 | C3 | C4 | C5 | 4.8° | 0.0° |
| C3 | C4 | N1 | C5 | 176.6° | 179.9° |
| C3 | C4 | N1 | N3 | 176.4° | 180.0° |
| C3 | C4 | C5 | C13 | 90.6° | 105.0° |
| C3 | C4 | C5 | C9 | 88.1° | 75.0° |
| C4 | C3 | C6 | H1 | 8.7° | 5.1° |
| C25 | C22 | C23 | H15 | 60.3° | 180.0° |
| C25 | C22 | C23 | H14 | 59.7° | 60.0° |
| C25 | C22 | C23 | H13 | 179.7° | 60.0° |
| C25 | C22 | C24 | H18 | 64.6° | 60.0° |
| C25 | C22 | C24 | H16 | 175.4° | 60.0° |
| C25 | C22 | C24 | H17 | 55.4° | 180.0° |
| C22 | C25 | H21 | H19 | 120.0° | 119.9° |
| C22 | C25 | H21 | H20 | 120.0° | 120.0° |
| C22 | C25 | H19 | H20 | 120.0° | 120.0° |
| C22 | C23 | H15 | H14 | 120.0° | 120.0° |
| C22 | C23 | H15 | H13 | 120.0° | 120.0° |
| C22 | C23 | H14 | H13 | 120.0° | 120.0° |
| C23 | C22 | C24 | H18 | 60.5° | 60.0° |
| C23 | C22 | C24 | H16 | 59.5° | 180.0° |
| C23 | C22 | C24 | H17 | 179.5° | 60.0° |
| C23 | C22 | C25 | H21 | 58.2° | 60.0° |
| C23 | C22 | C25 | H19 | 178.2° | 180.0° |
| C23 | C22 | C25 | H20 | 61.9° | 60.0° |
| C4 | N1 | N3 | C14 | 177.3° | 179.9° |
| N1 | C4 | C5 | C13 | 93.0° | 75.0° |
| N1 | C4 | C5 | C9 | 88.3° | 104.9° |
| N1 | N3 | C14 | C16 | 176.2° | 179.9° |
| N3 | N1 | C4 | C5 | 7.1° | 0.0° |
| C14 | C16 | C21 | C17 | 179.1° | 180.0° |
| C14 | C16 | C21 | C20 | 179.6° | 179.7° |
| C14 | C16 | C17 | C18 | 180.0° | 180.0° |
| C14 | C16 | C17 | H7 | 0.0° | 0.0° |
| C16 | C14 | C15 | H6 | 3.9° | 0.1° |
| C14 | C16 | C21 | H11 | 0.4° | 0.0° |
| N3 | C14 | C16 | C21 | 142.3° | 179.9° |
| N3 | C14 | C16 | C17 | 38.7° | 0.1° |
| N3 | C14 | C15 | H6 | 178.7° | 179.7° |
| C16 | C21 | C20 | H11 | 180.0° | 179.7° |
| C16 | C21 | C20 | C19 | 0.2° | 0.3° |
| C21 | C16 | C17 | C18 | 0.9° | 0.0° |
| C21 | C16 | C17 | H7 | 179.1° | 180.0° |
| C16 | C21 | C20 | H10 | 179.8° | 179.7° |
| C20 | C21 | C16 | C17 | 0.5° | 0.3° |
| C21 | C20 | C19 | H10 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.5° | 0.0° |
| C21 | C20 | C19 | H9 | 179.6° | 180.0° |
| C4 | C5 | C13 | C27 | 0.3° | 0.3° |
| C4 | C5 | C13 | C9 | 178.7° | 179.9° |
| C4 | C5 | C13 | C12 | 178.9° | 180.0° |
| C4 | C5 | C9 | C10 | 178.4° | 180.0° |
| C4 | C5 | C9 | H5 | 1.6° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.3° |
| C16 | C17 | C18 | H8 | 179.4° | 180.0° |
| C17 | C16 | C21 | H11 | 179.5° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.3° |
| C20 | C19 | C18 | H9 | 180.0° | 179.9° |
| C20 | C19 | C18 | H8 | 179.9° | 179.9° |
| C19 | C20 | C21 | H11 | 179.8° | 180.0° |
| C17 | C18 | C19 | H8 | 180.0° | 179.7° |
| C17 | C18 | C19 | H9 | 179.9° | 179.7° |
| C19 | C18 | C17 | H7 | 179.4° | 179.7° |
| C18 | C19 | C20 | H10 | 179.5° | 180.0° |
| C27 | C13 | C5 | C12 | 179.2° | 179.7° |
| C27 | C13 | C5 | C9 | 179.0° | 179.6° |
| C27 | C13 | C12 | C26 | 1.3° | 0.2° |
| C27 | C13 | C12 | C11 | 178.9° | 179.9° |
| C13 | C27 | H25 | H26 | 120.0° | 120.0° |
| C13 | C27 | H25 | H24 | 120.0° | 120.1° |
| C13 | C27 | H26 | H24 | 120.0° | 120.0° |
| C13 | C5 | C9 | C10 | 0.3° | 0.1° |
| C5 | C13 | C12 | C26 | 179.5° | 179.5° |
| C5 | C13 | C12 | C11 | 0.3° | 0.4° |
| C5 | C13 | C27 | H25 | 89.6° | 89.7° |
| C5 | C13 | C27 | H26 | 150.4° | 30.3° |
| C5 | C13 | C27 | H24 | 30.4° | 150.2° |
| C13 | C5 | C9 | H5 | 179.7° | 179.9° |
| C9 | C5 | C13 | C12 | 0.2° | 0.1° |
| C5 | C9 | C10 | H5 | 180.0° | 180.0° |
| C5 | C9 | C10 | C11 | 0.8° | 0.3° |
| C5 | C9 | C10 | F1 | 178.1° | 179.7° |
| C13 | C12 | C26 | C11 | 179.7° | 179.9° |
| C13 | C12 | C11 | C10 | 0.2° | 0.7° |
| C13 | C12 | C26 | C29 | 163.8° | 162.4° |
| C13 | C12 | C11 | O4 | 178.9° | 179.7° |
| C12 | C13 | C27 | H25 | 89.6° | 90.0° |
| C12 | C13 | C27 | H26 | 30.4° | 150.0° |
| C12 | C13 | C27 | H24 | 150.4° | 30.1° |
| C13 | C12 | C26 | H23 | 43.5° | 77.6° |
| C13 | C12 | C26 | H22 | 75.9° | 42.2° |
| C9 | C10 | C11 | C12 | 0.7° | 0.7° |
| C9 | C10 | C11 | F1 | 178.8° | 180.0° |
| C9 | C10 | C11 | O4 | 178.5° | 179.7° |
| C26 | C12 | C11 | C10 | 179.9° | 179.1° |
| C12 | C26 | C29 | H23 | 120.3° | 120.0° |
| C12 | C26 | C29 | H22 | 120.3° | 120.1° |
| C26 | C12 | C11 | O4 | 0.8° | 0.4° |
| C12 | C26 | C29 | C28 | 44.8° | 48.2° |
| C12 | C26 | H23 | H22 | 119.1° | 119.9° |
| C12 | C26 | C29 | H30 | 75.1° | 167.9° |
| C12 | C26 | C29 | H29 | 164.8° | 71.5° |
| C12 | C11 | C10 | O4 | 179.1° | 179.6° |
| C12 | C11 | C10 | F1 | 178.2° | 179.3° |
| C11 | C12 | C26 | C29 | 16.0° | 17.7° |
| C12 | C11 | O4 | C28 | 17.1° | 17.3° |
| C11 | C12 | C26 | H23 | 136.3° | 102.3° |
| C11 | C12 | C26 | H22 | 104.3° | 137.9° |
| C10 | C11 | O4 | C28 | 163.8° | 162.3° |
| C11 | C10 | C9 | H5 | 179.2° | 179.7° |
| F1 | C10 | C11 | O4 | 2.7° | 0.3° |
| F1 | C10 | C9 | H5 | 1.9° | 0.2° |
| C26 | C29 | C28 | O4 | 63.5° | 64.8° |
| C26 | C29 | C28 | H30 | 119.9° | 119.7° |
| C26 | C29 | C28 | H29 | 119.9° | 119.7° |
| C29 | C26 | H23 | H22 | 119.1° | 119.9° |
| C26 | C29 | C28 | H28 | 57.0° | 54.9° |
| C26 | C29 | C28 | H27 | 176.1° | 175.5° |
| C26 | C29 | H30 | H29 | 120.3° | 120.6° |
| C11 | O4 | C28 | C29 | 49.0° | 49.3° |
| C11 | O4 | C28 | H28 | 71.5° | 70.4° |
| C11 | O4 | C28 | H27 | 169.4° | 169.0° |
| O4 | C28 | C29 | H28 | 120.5° | 119.7° |
| O4 | C28 | C29 | H27 | 120.4° | 119.7° |
| O4 | C28 | H28 | H27 | 118.7° | 120.6° |
| O4 | C28 | C29 | H30 | 56.5° | 175.5° |
| O4 | C28 | C29 | H29 | 176.6° | 54.9° |
| C28 | C29 | C26 | H23 | 165.2° | 71.8° |
| C28 | C29 | C26 | H22 | 75.4° | 168.3° |
| C29 | C28 | H28 | H27 | 118.7° | 120.6° |
| C28 | C29 | H30 | H29 | 120.3° | 120.6° |
| H8 | C18 | C17 | H7 | 0.6° | 0.1° |
| H8 | C18 | C19 | H9 | 0.1° | 0.0° |
| H9 | C19 | C20 | H10 | 0.4° | 0.0° |
| H10 | C20 | C21 | H11 | 0.2° | 0.0° |
| H15 | C23 | H14 | H13 | 120.0° | 120.0° |
| H18 | C24 | H16 | H17 | 120.0° | 120.0° |
| H25 | C27 | H26 | H24 | 119.9° | 120.0° |
| H21 | C25 | H19 | H20 | 120.0° | 120.1° |
| H23 | C26 | C29 | H30 | 45.2° | 47.8° |
| H23 | C26 | C29 | H29 | 74.9° | 168.5° |
| H22 | C26 | C29 | H30 | 164.7° | 72.0° |
| H22 | C26 | C29 | H29 | 44.5° | 48.6° |
| H28 | C28 | C29 | H30 | 176.9° | 64.8° |
| H28 | C28 | C29 | H29 | 62.9° | 174.6° |
| H27 | C28 | C29 | H30 | 64.0° | 55.8° |
| H27 | C28 | C29 | H29 | 56.2° | 64.8° |
| H3 | C8 | H4 | H2 | 120.0° | 120.0° |
