QXI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | N2 | sing | 1.29Å | 1.39Å | Aromatic |
| N3 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.31Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | doub | 1.36Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.51Å | |
| C5 | N1 | sing | 1.36Å | 1.35Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C20 | N5 | sing | 1.31Å | 1.33Å | Aromatic |
| C21 | C26 | sing | 1.42Å | 1.42Å | Aromatic |
| N5 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | N | sing | 1.48Å | 1.47Å | |
| C26 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | C18 | doub | 1.41Å | 1.43Å | Aromatic |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | N4 | sing | 1.40Å | 1.41Å | |
| N4 | C17 | sing | 1.35Å | 1.35Å | |
| N | C2 | sing | 1.47Å | 1.47Å | |
| N | C6 | sing | 1.35Å | 1.35Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C6 | O | doub | 1.21Å | 1.22Å | |
| C17 | C8 | sing | 1.51Å | 1.54Å | |
| C17 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C16 | sing | 1.51Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | O1 | sing | 1.43Å | 1.45Å | |
| C11 | O1 | sing | 1.36Å | 1.37Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.74Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N3 | C5 | 107.0° | 109.4° |
| N3 | N2 | C4 | 106.7° | 109.8° |
| N3 | C5 | C1 | 127.3° | 128.7° |
| N3 | C5 | N1 | 110.2° | 107.5° |
| N2 | C4 | N1 | 110.7° | 107.1° |
| N2 | C4 | H1 | 124.6° | 126.5° |
| C | C1 | C5 | 110.0° | 109.9° |
| C | C1 | N | 112.5° | 110.0° |
| C | C1 | H22 | 108.4° | 110.0° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.4° | 109.5° |
| C23 | C22 | C21 | 120.6° | 119.6° |
| C22 | C23 | C24 | 120.6° | 121.1° |
| C23 | C22 | H9 | 119.7° | 120.2° |
| C22 | C23 | H13 | 119.7° | 119.4° |
| C22 | C21 | C20 | 123.1° | 122.0° |
| C22 | C21 | C26 | 119.1° | 119.3° |
| C21 | C22 | H9 | 119.7° | 120.2° |
| C23 | C24 | C25 | 120.7° | 121.0° |
| C23 | C24 | H10 | 119.7° | 119.5° |
| C24 | C23 | H13 | 119.7° | 119.5° |
| C4 | N1 | C5 | 105.4° | 106.2° |
| C4 | N1 | C3 | 129.8° | 128.6° |
| N1 | C4 | H1 | 124.7° | 126.4° |
| C1 | C5 | N1 | 122.5° | 123.8° |
| C5 | C1 | N | 108.4° | 106.9° |
| C5 | C1 | H22 | 108.5° | 110.0° |
| C5 | N1 | C3 | 124.8° | 125.2° |
| C21 | C20 | N5 | 124.2° | 120.2° |
| C20 | C21 | C26 | 117.8° | 118.7° |
| C21 | C20 | H8 | 117.9° | 119.9° |
| C20 | N5 | C19 | 117.5° | 122.9° |
| N5 | C20 | H8 | 117.9° | 119.9° |
| C21 | C26 | C25 | 118.1° | 119.6° |
| C21 | C26 | C18 | 118.1° | 118.2° |
| N5 | C19 | C18 | 125.0° | 121.6° |
| N5 | C19 | H14 | 117.5° | 119.2° |
| C24 | C25 | C26 | 120.9° | 119.5° |
| C25 | C24 | H10 | 119.7° | 119.6° |
| C24 | C25 | H12 | 119.6° | 120.2° |
| C1 | N | C2 | 113.6° | 118.0° |
| C1 | N | C6 | 124.5° | 121.0° |
| N | C1 | H22 | 109.0° | 110.0° |
| C25 | C26 | C18 | 123.8° | 122.2° |
| C26 | C25 | H12 | 119.5° | 120.2° |
| C26 | C18 | C19 | 117.4° | 118.4° |
| C26 | C18 | N4 | 118.8° | 120.8° |
| N1 | C3 | C2 | 108.4° | 109.2° |
| N1 | C3 | H20 | 109.8° | 109.6° |
| N1 | C3 | H21 | 109.8° | 109.5° |
| C19 | C18 | N4 | 123.7° | 120.8° |
| C18 | C19 | H14 | 117.5° | 119.2° |
| C18 | N4 | C17 | 124.7° | 120.0° |
| C18 | N4 | H11 | 117.7° | 120.0° |
| N4 | C17 | C8 | 116.8° | 120.0° |
| N4 | C17 | O2 | 122.2° | 120.0° |
| C17 | N4 | H11 | 117.6° | 120.0° |
| C2 | N | C6 | 121.3° | 120.9° |
| N | C2 | C3 | 109.8° | 109.1° |
| N | C2 | H18 | 109.4° | 109.5° |
| N | C2 | H19 | 109.4° | 109.5° |
| N | C6 | C7 | 119.0° | 120.0° |
| N | C6 | O | 119.0° | 120.0° |
| C3 | C2 | H18 | 109.4° | 109.5° |
| C3 | C2 | H19 | 109.4° | 109.6° |
| C2 | C3 | H20 | 109.7° | 109.5° |
| C2 | C3 | H21 | 109.7° | 109.5° |
| C6 | C7 | C8 | 114.4° | 109.5° |
| C7 | C6 | O | 122.0° | 120.0° |
| C6 | C7 | H2 | 108.2° | 109.4° |
| C6 | C7 | H3 | 108.2° | 109.5° |
| C7 | C8 | C17 | 113.5° | 109.4° |
| C7 | C8 | C9 | 111.7° | 109.4° |
| C7 | C8 | C16 | 109.2° | 109.5° |
| C8 | C7 | H2 | 108.2° | 109.4° |
| C8 | C7 | H3 | 108.2° | 109.5° |
| C8 | C17 | O2 | 120.9° | 120.0° |
| C17 | C8 | C9 | 104.0° | 109.4° |
| C17 | C8 | C16 | 107.7° | 109.4° |
| C9 | C8 | C16 | 110.5° | 109.7° |
| C8 | C9 | C10 | 111.8° | 108.3° |
| C8 | C9 | H16 | 108.9° | 109.7° |
| C8 | C9 | H17 | 108.9° | 109.7° |
| C8 | C16 | C15 | 120.3° | 118.7° |
| C8 | C16 | C11 | 121.5° | 121.5° |
| C9 | C10 | O1 | 112.2° | 108.4° |
| C9 | C10 | H4 | 108.8° | 109.6° |
| C9 | C10 | H5 | 108.8° | 109.7° |
| C10 | C9 | H16 | 108.9° | 109.7° |
| C10 | C9 | H17 | 108.9° | 109.7° |
| C15 | C16 | C11 | 118.2° | 119.8° |
| C16 | C15 | C14 | 119.6° | 120.3° |
| C16 | C15 | H7 | 120.2° | 119.8° |
| C16 | C11 | O1 | 122.8° | 121.7° |
| C16 | C11 | C12 | 121.6° | 119.8° |
| C15 | C14 | CL | 118.9° | 120.0° |
| C15 | C14 | C13 | 121.9° | 120.0° |
| C14 | C15 | H7 | 120.2° | 119.9° |
| C10 | O1 | C11 | 115.3° | 117.9° |
| O1 | C10 | H4 | 108.8° | 109.7° |
| O1 | C10 | H5 | 108.8° | 109.7° |
| O1 | C11 | C12 | 115.5° | 118.5° |
| C11 | C12 | C13 | 119.4° | 120.2° |
| C11 | C12 | H15 | 120.3° | 119.9° |
| CL | C14 | C13 | 119.2° | 120.0° |
| C14 | C13 | C12 | 119.3° | 119.9° |
| C14 | C13 | H6 | 120.4° | 120.1° |
| C12 | C13 | H6 | 120.3° | 120.0° |
| C13 | C12 | H15 | 120.3° | 119.8° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.4° | 109.7° |
| H16 | C9 | H17 | 109.5° | 109.7° |
| H18 | C2 | H19 | 109.4° | 109.5° |
| H20 | C3 | H21 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.4° |
| H23 | C | H25 | 109.5° | 109.5° |
| H24 | C | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | N2 | C4 | N1 | 0.1° | 0.0° |
| N2 | N3 | C5 | C1 | 179.8° | 179.6° |
| N2 | N3 | C5 | N1 | 0.2° | 0.2° |
| N3 | N2 | C4 | H1 | 179.9° | 179.9° |
| C5 | N3 | N2 | C4 | 0.2° | 0.1° |
| N3 | C5 | C1 | C | 68.4° | 71.3° |
| N3 | C5 | N1 | C4 | 0.2° | 0.3° |
| N3 | C5 | C1 | N1 | 179.6° | 179.8° |
| N3 | C5 | C1 | N | 168.2° | 169.3° |
| N3 | C5 | N1 | C3 | 178.3° | 179.5° |
| N3 | C5 | C1 | H22 | 50.0° | 50.0° |
| N2 | C4 | N1 | H1 | 180.0° | 179.9° |
| N2 | C4 | N1 | C5 | 0.1° | 0.2° |
| N2 | C4 | N1 | C3 | 178.2° | 179.5° |
| C | C1 | C5 | N | 123.3° | 119.3° |
| C | C1 | C5 | H22 | 118.4° | 121.3° |
| C | C1 | C5 | N1 | 111.2° | 108.5° |
| C | C1 | N | H22 | 120.2° | 121.3° |
| C | C1 | N | C2 | 75.4° | 76.1° |
| C | C1 | N | C6 | 113.4° | 103.8° |
| C1 | C | H23 | H24 | 120.0° | 119.9° |
| C1 | C | H23 | H25 | 120.0° | 120.0° |
| C1 | C | H24 | H25 | 120.0° | 120.0° |
| C23 | C22 | C21 | H9 | 180.0° | 179.9° |
| C22 | C23 | C24 | H13 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 179.2° | 180.0° |
| C23 | C22 | C21 | C26 | 0.2° | 0.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.1° |
| C22 | C23 | C24 | H10 | 179.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C22 | C21 | C20 | C26 | 179.0° | 179.9° |
| C22 | C21 | C20 | N5 | 179.2° | 180.0° |
| C22 | C21 | C26 | C25 | 0.2° | 0.0° |
| C22 | C21 | C26 | C18 | 178.8° | 180.0° |
| C22 | C21 | C20 | H8 | 0.8° | 0.3° |
| C21 | C22 | C23 | H13 | 179.7° | 180.0° |
| C23 | C24 | C25 | H10 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.0° |
| C24 | C23 | C22 | H9 | 179.8° | 180.0° |
| C23 | C24 | C25 | H12 | 179.7° | 180.0° |
| C4 | N1 | C5 | C1 | 179.8° | 179.6° |
| C4 | N1 | C5 | C3 | 178.4° | 179.7° |
| C4 | N1 | C3 | C2 | 161.0° | 161.8° |
| C4 | N1 | C3 | H20 | 79.2° | 78.3° |
| C4 | N1 | C3 | H21 | 41.1° | 41.9° |
| C5 | C1 | N | H22 | 117.9° | 119.4° |
| C1 | C5 | N1 | C3 | 1.4° | 0.7° |
| C5 | C1 | N | C2 | 46.4° | 43.2° |
| C5 | C1 | N | C6 | 124.7° | 136.9° |
| C5 | C1 | C | H23 | 180.0° | 60.1° |
| C5 | C1 | C | H24 | 60.0° | 180.0° |
| C5 | C1 | C | H25 | 60.0° | 60.0° |
| N1 | C5 | C1 | N | 12.2° | 10.8° |
| C5 | N1 | C3 | C2 | 17.0° | 18.6° |
| C5 | N1 | C4 | H1 | 179.9° | 179.8° |
| C5 | N1 | C3 | H20 | 102.8° | 101.3° |
| C5 | N1 | C3 | H21 | 136.9° | 138.5° |
| N1 | C5 | C1 | H22 | 130.4° | 130.2° |
| C21 | C20 | N5 | H8 | 180.0° | 179.7° |
| C21 | C20 | N5 | C19 | 0.6° | 0.1° |
| C20 | C21 | C26 | C25 | 179.2° | 180.0° |
| C20 | C21 | C26 | C18 | 0.2° | 0.0° |
| C20 | C21 | C22 | H9 | 0.8° | 0.1° |
| N5 | C20 | C21 | C26 | 0.2° | 0.0° |
| C20 | N5 | C19 | C18 | 0.7° | 0.1° |
| C20 | N5 | C19 | H14 | 179.4° | 180.0° |
| C21 | C26 | C25 | C24 | 0.2° | 0.0° |
| C21 | C26 | C25 | C18 | 178.9° | 180.0° |
| C21 | C26 | C18 | C19 | 0.2° | 0.0° |
| C21 | C26 | C18 | N4 | 176.5° | 180.0° |
| C26 | C21 | C20 | H8 | 179.9° | 179.7° |
| C26 | C21 | C22 | H9 | 179.8° | 180.0° |
| C21 | C26 | C25 | H12 | 179.8° | 180.0° |
| N5 | C19 | C18 | C26 | 0.3° | 0.1° |
| N5 | C19 | C18 | H14 | 180.0° | 179.9° |
| N5 | C19 | C18 | N4 | 176.7° | 180.0° |
| C19 | N5 | C20 | H8 | 179.4° | 179.8° |
| C24 | C25 | C26 | H12 | 180.0° | 180.0° |
| C24 | C25 | C26 | C18 | 178.7° | 180.0° |
| C25 | C24 | C23 | H13 | 179.7° | 180.0° |
| C1 | N | C2 | C6 | 171.5° | 179.9° |
| C1 | N | C2 | C3 | 68.3° | 63.7° |
| C1 | N | C6 | C7 | 33.5° | 179.9° |
| C1 | N | C6 | O | 146.8° | 0.1° |
| C1 | N | C2 | H18 | 51.7° | 56.2° |
| C1 | N | C2 | H19 | 171.6° | 176.3° |
| N | C1 | C | H23 | 59.1° | 177.5° |
| N | C1 | C | H24 | 60.9° | 62.6° |
| N | C1 | C | H25 | 179.1° | 57.5° |
| C25 | C26 | C18 | C19 | 179.1° | 179.9° |
| C25 | C26 | C18 | N4 | 2.5° | 0.0° |
| C26 | C25 | C24 | H10 | 179.7° | 180.0° |
| C26 | C18 | C19 | N4 | 176.5° | 179.9° |
| C26 | C18 | N4 | C17 | 103.1° | 151.5° |
| C26 | C18 | N4 | H11 | 76.8° | 28.5° |
| C18 | C26 | C25 | H12 | 1.3° | 0.0° |
| C26 | C18 | C19 | H14 | 179.7° | 180.0° |
| N1 | C3 | C2 | N | 49.0° | 45.8° |
| N1 | C3 | C2 | H20 | 119.8° | 120.0° |
| N1 | C3 | C2 | H21 | 119.9° | 119.9° |
| C3 | N1 | C4 | H1 | 1.8° | 0.5° |
| N1 | C3 | C2 | H18 | 71.1° | 74.1° |
| N1 | C3 | C2 | H19 | 169.0° | 165.7° |
| N1 | C3 | H20 | H21 | 120.5° | 120.2° |
| C19 | C18 | N4 | C17 | 73.3° | 28.5° |
| C19 | C18 | N4 | H11 | 106.7° | 151.5° |
| C18 | N4 | C17 | H11 | 180.0° | 180.0° |
| C18 | N4 | C17 | C8 | 178.4° | 174.6° |
| C18 | N4 | C17 | O2 | 1.3° | 5.5° |
| N4 | C18 | C19 | H14 | 3.3° | 0.0° |
| N4 | C17 | C8 | C7 | 36.8° | 55.7° |
| N4 | C17 | C8 | O2 | 177.2° | 179.9° |
| N4 | C17 | C8 | C9 | 84.8° | 175.5° |
| N4 | C17 | C8 | C16 | 157.8° | 64.3° |
| N | C2 | C3 | H18 | 120.1° | 119.9° |
| N | C2 | C3 | H19 | 120.1° | 120.0° |
| C2 | N | C6 | C7 | 156.0° | 0.0° |
| C2 | N | C6 | O | 23.8° | 180.0° |
| N | C2 | H18 | H19 | 119.9° | 120.1° |
| N | C2 | C3 | H20 | 70.9° | 74.2° |
| N | C2 | C3 | H21 | 168.8° | 165.7° |
| C2 | N | C1 | H22 | 164.4° | 162.6° |
| C6 | N | C2 | C3 | 103.2° | 116.4° |
| N | C6 | C7 | O | 179.7° | 179.9° |
| N | C6 | C7 | C8 | 168.5° | 174.1° |
| N | C6 | C7 | H2 | 70.7° | 54.2° |
| N | C6 | C7 | H3 | 47.8° | 65.8° |
| C6 | N | C2 | H18 | 136.8° | 123.7° |
| C6 | N | C2 | H19 | 16.9° | 3.6° |
| C6 | N | C1 | H22 | 6.8° | 17.5° |
| C3 | C2 | H18 | H19 | 119.9° | 120.2° |
| C2 | C3 | H20 | H21 | 120.5° | 120.1° |
| C6 | C7 | C8 | H2 | 120.7° | 120.0° |
| C6 | C7 | C8 | H3 | 120.7° | 120.0° |
| C6 | C7 | C8 | C17 | 175.7° | 58.6° |
| C6 | C7 | C8 | C9 | 58.5° | 61.3° |
| C6 | C7 | C8 | C16 | 64.0° | 178.5° |
| C6 | C7 | H2 | H3 | 117.8° | 120.0° |
| C8 | C7 | C6 | O | 11.7° | 5.9° |
| C7 | C8 | C17 | C9 | 121.6° | 119.9° |
| C7 | C8 | C17 | C16 | 121.0° | 119.9° |
| C7 | C8 | C17 | O2 | 146.1° | 124.4° |
| C7 | C8 | C9 | C16 | 121.8° | 120.1° |
| C7 | C8 | C9 | C10 | 160.0° | 168.3° |
| C7 | C8 | C16 | C15 | 42.4° | 42.1° |
| C7 | C8 | C16 | C11 | 137.1° | 137.8° |
| C8 | C7 | H2 | H3 | 117.7° | 120.0° |
| C7 | C8 | C9 | H16 | 79.7° | 72.0° |
| C7 | C8 | C9 | H17 | 39.6° | 48.6° |
| O | C6 | C7 | H2 | 109.0° | 125.9° |
| O | C6 | C7 | H3 | 132.5° | 114.1° |
| C17 | C8 | C9 | C16 | 115.4° | 120.0° |
| C17 | C8 | C9 | C10 | 77.2° | 71.8° |
| C17 | C8 | C16 | C15 | 81.3° | 77.8° |
| C17 | C8 | C16 | C11 | 99.2° | 102.3° |
| C17 | C8 | C7 | H2 | 63.5° | 178.6° |
| C17 | C8 | C7 | H3 | 55.0° | 61.4° |
| C8 | C17 | N4 | H11 | 1.6° | 5.4° |
| C17 | C8 | C9 | H16 | 43.1° | 47.9° |
| C17 | C8 | C9 | H17 | 162.5° | 168.5° |
| O2 | C17 | C8 | C9 | 92.3° | 4.5° |
| O2 | C17 | C8 | C16 | 25.0° | 115.6° |
| O2 | C17 | N4 | H11 | 178.7° | 174.5° |
| C8 | C9 | C10 | H16 | 120.4° | 119.7° |
| C8 | C9 | C10 | H17 | 120.3° | 119.7° |
| C9 | C8 | C16 | C15 | 165.7° | 162.2° |
| C9 | C8 | C16 | C11 | 13.9° | 17.8° |
| C8 | C9 | C10 | O1 | 57.9° | 64.7° |
| C9 | C8 | C7 | H2 | 179.2° | 58.7° |
| C9 | C8 | C7 | H3 | 62.2° | 178.7° |
| C8 | C9 | C10 | H4 | 62.5° | 175.5° |
| C8 | C9 | C10 | H5 | 178.3° | 55.0° |
| C8 | C9 | H16 | H17 | 118.9° | 120.6° |
| C16 | C8 | C9 | C10 | 38.2° | 48.2° |
| C8 | C16 | C15 | C11 | 179.6° | 180.0° |
| C8 | C16 | C15 | C14 | 178.1° | 179.9° |
| C8 | C16 | C11 | O1 | 6.6° | 0.3° |
| C8 | C16 | C11 | C12 | 178.1° | 179.7° |
| C16 | C8 | C7 | H2 | 56.7° | 61.5° |
| C16 | C8 | C7 | H3 | 175.2° | 58.5° |
| C8 | C16 | C15 | H7 | 1.9° | 0.1° |
| C16 | C8 | C9 | H16 | 158.5° | 167.9° |
| C16 | C8 | C9 | H17 | 82.2° | 71.5° |
| C9 | C10 | O1 | H4 | 120.4° | 119.7° |
| C9 | C10 | O1 | H5 | 120.4° | 119.7° |
| C9 | C10 | O1 | C11 | 50.4° | 49.1° |
| C9 | C10 | H4 | H5 | 118.7° | 120.5° |
| C10 | C9 | H16 | H17 | 118.9° | 120.6° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C15 | C16 | C11 | O1 | 172.9° | 179.7° |
| C15 | C16 | C11 | C12 | 2.3° | 0.3° |
| C16 | C15 | C14 | CL | 176.7° | 180.0° |
| C16 | C15 | C14 | C13 | 1.0° | 0.1° |
| C11 | C16 | C15 | C14 | 2.3° | 0.2° |
| C16 | C11 | O1 | C10 | 24.8° | 17.0° |
| C16 | C11 | O1 | C12 | 175.5° | 180.0° |
| C16 | C11 | C12 | C13 | 1.0° | 0.2° |
| C11 | C16 | C15 | H7 | 177.7° | 179.9° |
| C16 | C11 | C12 | H15 | 179.0° | 179.9° |
| C15 | C14 | CL | C13 | 177.7° | 179.9° |
| C15 | C14 | C13 | C12 | 0.4° | 0.1° |
| C15 | C14 | C13 | H6 | 179.6° | 179.9° |
| C10 | O1 | C11 | C12 | 159.7° | 163.0° |
| O1 | C10 | H4 | H5 | 118.8° | 120.6° |
| O1 | C10 | C9 | H16 | 178.2° | 175.6° |
| O1 | C10 | C9 | H17 | 62.4° | 55.0° |
| O1 | C11 | C12 | C13 | 174.6° | 179.7° |
| C11 | O1 | C10 | H4 | 70.0° | 168.8° |
| C11 | O1 | C10 | H5 | 170.8° | 70.7° |
| O1 | C11 | C12 | H15 | 5.4° | 0.2° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C11 | C12 | C13 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | H6 | 179.6° | 179.9° |
| CL | C14 | C13 | C12 | 178.1° | 180.0° |
| CL | C14 | C13 | H6 | 2.0° | 0.0° |
| CL | C14 | C15 | H7 | 3.3° | 0.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | H7 | 179.0° | 179.9° |
| C14 | C13 | C12 | H15 | 179.6° | 179.9° |
| H4 | C10 | C9 | H16 | 57.8° | 55.8° |
| H4 | C10 | C9 | H17 | 177.1° | 64.8° |
| H5 | C10 | C9 | H16 | 61.3° | 64.7° |
| H5 | C10 | C9 | H17 | 58.0° | 174.7° |
| H6 | C13 | C12 | H15 | 0.4° | 0.0° |
| H9 | C22 | C23 | H13 | 0.2° | 0.1° |
| H10 | C24 | C25 | H12 | 0.3° | 0.0° |
| H10 | C24 | C23 | H13 | 0.3° | 0.1° |
| H18 | C2 | C3 | H20 | 169.0° | 165.9° |
| H18 | C2 | C3 | H21 | 48.7° | 45.8° |
| H19 | C2 | C3 | H20 | 49.2° | 45.8° |
| H19 | C2 | C3 | H21 | 71.1° | 74.3° |
| H22 | C1 | C | H23 | 61.5° | 61.2° |
| H22 | C1 | C | H24 | 178.5° | 58.7° |
| H22 | C1 | C | H25 | 58.5° | 178.8° |
| H23 | C | H24 | H25 | 120.0° | 120.0° |
