KKK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C1 | doub | 1.30Å | 1.29Å | Aromatic |
| C1 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | N1 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C6 | sing | 1.44Å | 1.42Å | |
| CL1 | C11 | sing | 1.74Å | 1.79Å | |
| C2 | N2 | sing | 1.34Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.35Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | O2 | sing | 1.44Å | 1.42Å | |
| O2 | C7 | sing | 1.45Å | 1.43Å | |
| C9 | CL2 | sing | 1.74Å | 1.80Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | N3 | sing | 1.40Å | 1.43Å | |
| N3 | C21 | sing | 1.47Å | 1.48Å | |
| N3 | C24 | sing | 1.47Å | 1.48Å | |
| C14 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C15 | sing | 1.36Å | 1.38Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C22 | N4 | sing | 1.47Å | 1.47Å | |
| C23 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C25 | sing | 1.35Å | 1.34Å | |
| C25 | O4 | doub | 1.21Å | 1.22Å | |
| C8 | C5 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.55Å | 1.51Å | |
| C6 | C14 | sing | 1.53Å | 1.51Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N1 | 109.6° | 108.8° |
| N2 | C1 | H1 | 125.2° | 125.6° |
| C1 | N2 | C2 | 108.1° | 109.3° |
| N1 | C1 | H1 | 125.2° | 125.6° |
| C1 | N1 | C3 | 107.1° | 107.2° |
| C1 | N1 | C4 | 126.1° | 126.5° |
| C3 | N1 | C4 | 126.7° | 126.4° |
| N1 | C3 | C2 | 106.0° | 106.8° |
| N1 | C3 | H3 | 127.0° | 126.6° |
| N1 | C4 | C5 | 119.0° | 109.5° |
| N1 | C4 | H4 | 106.4° | 109.5° |
| N1 | C4 | H4A | 106.4° | 109.4° |
| C5 | O1 | C6 | 110.4° | 107.3° |
| O1 | C5 | O2 | 106.4° | 108.8° |
| O1 | C5 | C4 | 110.6° | 109.6° |
| O1 | C5 | C8 | 110.3° | 109.7° |
| O1 | C6 | C7 | 105.9° | 103.1° |
| O1 | C6 | C14 | 108.2° | 110.7° |
| O1 | C6 | H6 | 111.7° | 110.7° |
| CL1 | C11 | C10 | 117.8° | 120.0° |
| CL1 | C11 | C12 | 121.6° | 120.0° |
| N2 | C2 | C3 | 109.2° | 108.0° |
| N2 | C2 | H2 | 125.4° | 126.0° |
| C3 | C2 | H2 | 125.4° | 126.0° |
| C2 | C3 | H3 | 127.0° | 126.6° |
| C5 | O2 | C7 | 110.9° | 104.8° |
| O2 | C5 | C4 | 105.7° | 109.6° |
| O2 | C5 | C8 | 109.3° | 109.6° |
| O2 | C7 | C6 | 104.5° | 101.7° |
| O2 | C7 | H7 | 111.2° | 111.0° |
| O2 | C7 | H7A | 111.2° | 111.0° |
| CL2 | C9 | C8 | 123.0° | 120.0° |
| CL2 | C9 | C10 | 116.4° | 120.0° |
| C18 | N3 | C21 | 118.7° | 111.0° |
| C18 | N3 | C24 | 114.9° | 110.9° |
| N3 | C18 | C17 | 120.2° | 120.1° |
| N3 | C18 | C19 | 121.6° | 120.0° |
| C21 | N3 | C24 | 109.8° | 111.3° |
| N3 | C21 | C22 | 107.1° | 109.3° |
| N3 | C21 | H21 | 110.3° | 109.6° |
| N3 | C21 | H21A | 110.3° | 109.5° |
| N3 | C24 | C23 | 104.8° | 109.3° |
| N3 | C24 | H24 | 111.1° | 109.5° |
| N3 | C24 | H24A | 111.1° | 109.5° |
| C14 | O3 | C15 | 125.9° | 117.0° |
| O3 | C14 | C6 | 107.2° | 109.5° |
| O3 | C14 | H14 | 110.2° | 109.5° |
| O3 | C14 | H14A | 110.2° | 109.5° |
| O3 | C15 | C16 | 118.6° | 120.0° |
| O3 | C15 | C20 | 121.8° | 120.0° |
| C5 | C4 | H4 | 106.4° | 109.5° |
| C5 | C4 | H4A | 106.4° | 109.5° |
| C4 | C5 | C8 | 114.2° | 109.5° |
| H4 | C4 | H4A | 112.3° | 109.5° |
| C22 | N4 | C23 | 116.6° | 118.3° |
| C22 | N4 | C25 | 123.0° | 120.9° |
| N4 | C22 | C21 | 107.2° | 108.5° |
| N4 | C22 | H22 | 110.2° | 109.6° |
| N4 | C22 | H22A | 110.2° | 109.6° |
| C23 | N4 | C25 | 120.3° | 120.9° |
| N4 | C23 | C24 | 104.4° | 108.5° |
| N4 | C23 | H23 | 111.2° | 109.6° |
| N4 | C23 | H23A | 111.2° | 109.7° |
| N4 | C25 | O4 | 121.2° | 120.0° |
| N4 | C25 | C26 | 117.8° | 120.0° |
| O4 | C25 | C26 | 121.0° | 120.0° |
| C5 | C8 | C9 | 121.4° | 120.0° |
| C5 | C8 | C13 | 118.9° | 120.0° |
| C7 | C6 | C14 | 106.8° | 110.7° |
| C7 | C6 | H6 | 113.1° | 110.8° |
| C6 | C7 | H7 | 111.1° | 111.0° |
| C6 | C7 | H7A | 111.2° | 111.0° |
| C14 | C6 | H6 | 110.9° | 110.6° |
| C6 | C14 | H14 | 110.2° | 109.5° |
| C6 | C14 | H14A | 110.2° | 109.4° |
| H7 | C7 | H7A | 107.8° | 110.9° |
| C9 | C8 | C13 | 119.7° | 120.0° |
| C8 | C9 | C10 | 120.6° | 120.0° |
| C8 | C13 | C12 | 119.7° | 120.0° |
| C8 | C13 | H13 | 120.1° | 120.0° |
| C9 | C10 | C11 | 119.4° | 120.0° |
| C9 | C10 | H10 | 120.3° | 120.0° |
| C11 | C10 | H10 | 120.3° | 120.0° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| H14 | C14 | H14A | 108.7° | 109.5° |
| C16 | C15 | C20 | 119.5° | 120.0° |
| C15 | C16 | C17 | 120.5° | 120.0° |
| C15 | C16 | H16 | 119.7° | 119.9° |
| C15 | C20 | C19 | 119.9° | 120.1° |
| C15 | C20 | H20 | 120.0° | 119.9° |
| C17 | C16 | H16 | 119.8° | 120.1° |
| C16 | C17 | C18 | 120.9° | 120.0° |
| C16 | C17 | H17 | 119.6° | 120.0° |
| C18 | C17 | H17 | 119.6° | 120.0° |
| C17 | C18 | C19 | 118.1° | 119.9° |
| C18 | C19 | C20 | 121.1° | 119.9° |
| C18 | C19 | H19 | 119.5° | 120.0° |
| C20 | C19 | H19 | 119.4° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C22 | C21 | H21 | 110.3° | 109.5° |
| C22 | C21 | H21A | 110.2° | 109.4° |
| C21 | C22 | H22 | 110.2° | 109.6° |
| C21 | C22 | H22A | 110.3° | 109.6° |
| H21 | C21 | H21A | 108.6° | 109.5° |
| H22 | C22 | H22A | 108.7° | 109.8° |
| C24 | C23 | H23 | 111.2° | 109.6° |
| C24 | C23 | H23A | 111.2° | 109.8° |
| C23 | C24 | H24 | 111.0° | 109.4° |
| C23 | C24 | H24A | 111.0° | 109.5° |
| H23 | C23 | H23A | 107.7° | 109.6° |
| H24 | C24 | H24A | 107.8° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.4° | 109.4° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N1 | H1 | 180.0° | 179.7° |
| N2 | C1 | N1 | C3 | 1.4° | 0.3° |
| N2 | C1 | N1 | C4 | 177.8° | 179.7° |
| C1 | N2 | C2 | C3 | 0.3° | 0.3° |
| C1 | N2 | C2 | H2 | 179.8° | 179.9° |
| C1 | N1 | C3 | C4 | 176.4° | 180.0° |
| N1 | C1 | N2 | C2 | 0.7° | 0.0° |
| C1 | N1 | C3 | C2 | 1.5° | 0.4° |
| C1 | N1 | C3 | H3 | 178.5° | 179.9° |
| C1 | N1 | C4 | C5 | 92.3° | 90.0° |
| C1 | N1 | C4 | H4 | 27.7° | 150.0° |
| C1 | N1 | C4 | H4A | 147.7° | 30.0° |
| H1 | C1 | N1 | C3 | 178.6° | 180.0° |
| H1 | C1 | N1 | C4 | 2.2° | 0.0° |
| H1 | C1 | N2 | C2 | 179.3° | 179.7° |
| N1 | C3 | C2 | N2 | 1.1° | 0.4° |
| N1 | C3 | C2 | H3 | 180.0° | 179.6° |
| N1 | C3 | C2 | H2 | 178.9° | 179.9° |
| C3 | N1 | C4 | C5 | 92.0° | 90.0° |
| C3 | N1 | C4 | H4 | 147.9° | 30.0° |
| C3 | N1 | C4 | H4A | 28.0° | 150.0° |
| N1 | C4 | C5 | O1 | 124.6° | 59.2° |
| C4 | N1 | C3 | C2 | 177.9° | 179.5° |
| N1 | C4 | C5 | O2 | 120.6° | 60.1° |
| C4 | N1 | C3 | H3 | 2.2° | 0.1° |
| N1 | C4 | C5 | H4 | 120.0° | 120.0° |
| N1 | C4 | C5 | H4A | 120.0° | 119.9° |
| N1 | C4 | H4 | H4A | 116.1° | 119.9° |
| N1 | C4 | C5 | C8 | 0.4° | 179.6° |
| O1 | C5 | O2 | C4 | 117.7° | 119.8° |
| O1 | C5 | O2 | C8 | 119.1° | 119.9° |
| O1 | C5 | O2 | C7 | 6.6° | 24.3° |
| O1 | C5 | C4 | C8 | 125.1° | 120.4° |
| O1 | C5 | C4 | H4 | 4.6° | 179.3° |
| O1 | C5 | C4 | H4A | 115.4° | 60.7° |
| C5 | O1 | C6 | C7 | 10.5° | 21.5° |
| C5 | O1 | C6 | C14 | 103.6° | 139.9° |
| C5 | O1 | C6 | H6 | 134.0° | 97.1° |
| O1 | C5 | C8 | C9 | 155.8° | 59.3° |
| O1 | C5 | C8 | C13 | 23.4° | 121.0° |
| C6 | O1 | C5 | O2 | 2.9° | 0.7° |
| O1 | C6 | C7 | O2 | 13.9° | 35.6° |
| O1 | C6 | C14 | O3 | 112.6° | 66.4° |
| C6 | O1 | C5 | C4 | 111.4° | 119.2° |
| C6 | O1 | C5 | C8 | 121.3° | 120.5° |
| O1 | C6 | C7 | C14 | 115.1° | 118.4° |
| O1 | C6 | C7 | H6 | 122.6° | 118.5° |
| O1 | C6 | C14 | H6 | 122.9° | 123.1° |
| O1 | C6 | C7 | H7 | 133.9° | 82.5° |
| O1 | C6 | C7 | H7A | 106.0° | 153.7° |
| O1 | C6 | C14 | H14 | 7.4° | 173.5° |
| O1 | C6 | C14 | H14A | 127.4° | 53.5° |
| CL1 | C11 | C10 | C9 | 179.5° | 180.0° |
| CL1 | C11 | C10 | C12 | 179.4° | 180.0° |
| CL1 | C11 | C10 | H10 | 0.5° | 0.0° |
| CL1 | C11 | C12 | C13 | 179.8° | 179.7° |
| CL1 | C11 | C12 | H12 | 0.2° | 0.0° |
| N2 | C2 | C3 | H2 | 180.0° | 179.7° |
| N2 | C2 | C3 | H3 | 178.9° | 179.9° |
| H2 | C2 | C3 | H3 | 1.1° | 0.3° |
| O2 | C5 | C4 | C8 | 120.1° | 120.3° |
| O2 | C5 | C4 | H4 | 119.4° | 60.0° |
| O2 | C5 | C4 | H4A | 0.6° | 180.0° |
| C5 | O2 | C7 | C6 | 12.7° | 36.1° |
| C5 | O2 | C7 | H7 | 132.7° | 82.0° |
| C5 | O2 | C7 | H7A | 107.2° | 154.2° |
| O2 | C5 | C8 | C9 | 39.2° | 60.1° |
| O2 | C5 | C8 | C13 | 140.1° | 119.7° |
| C7 | O2 | C5 | C4 | 124.3° | 95.5° |
| C7 | O2 | C5 | C8 | 112.4° | 144.2° |
| O2 | C7 | C6 | H7 | 120.0° | 118.1° |
| O2 | C7 | C6 | H7A | 120.0° | 118.1° |
| O2 | C7 | C6 | C14 | 101.2° | 154.0° |
| O2 | C7 | C6 | H6 | 136.6° | 82.9° |
| O2 | C7 | H7 | H7A | 122.0° | 123.8° |
| CL2 | C9 | C8 | C5 | 0.9° | 0.0° |
| CL2 | C9 | C8 | C10 | 179.2° | 180.0° |
| CL2 | C9 | C8 | C13 | 179.9° | 179.8° |
| CL2 | C9 | C10 | C11 | 179.5° | 180.0° |
| CL2 | C9 | C10 | H10 | 0.5° | 0.0° |
| C18 | N3 | C21 | C24 | 135.1° | 124.1° |
| N3 | C18 | C17 | C16 | 178.1° | 180.0° |
| N3 | C18 | C17 | C19 | 176.0° | 180.0° |
| N3 | C18 | C17 | H17 | 1.9° | 0.1° |
| N3 | C18 | C19 | C20 | 178.3° | 179.8° |
| N3 | C18 | C19 | H19 | 1.7° | 0.0° |
| C18 | N3 | C21 | C22 | 158.9° | 172.8° |
| C18 | N3 | C21 | H21 | 38.9° | 52.8° |
| C18 | N3 | C21 | H21A | 81.1° | 67.3° |
| C18 | N3 | C24 | C23 | 151.4° | 172.7° |
| C18 | N3 | C24 | H24 | 88.6° | 67.3° |
| C18 | N3 | C24 | H24A | 31.4° | 52.8° |
| N3 | C21 | C22 | N4 | 54.1° | 53.8° |
| C21 | N3 | C18 | C17 | 52.9° | 180.0° |
| C21 | N3 | C18 | C19 | 131.3° | 0.0° |
| N3 | C21 | C22 | H21 | 120.0° | 120.0° |
| N3 | C21 | C22 | H21A | 120.0° | 120.0° |
| N3 | C21 | H21 | H21A | 121.0° | 120.1° |
| N3 | C21 | C22 | H22 | 174.1° | 173.5° |
| N3 | C21 | C22 | H22A | 65.9° | 65.9° |
| C21 | N3 | C24 | C23 | 71.7° | 63.1° |
| C21 | N3 | C24 | H24 | 48.3° | 56.8° |
| C21 | N3 | C24 | H24A | 168.4° | 176.9° |
| N3 | C24 | C23 | N4 | 64.3° | 53.8° |
| C24 | N3 | C18 | C17 | 174.2° | 55.7° |
| C24 | N3 | C18 | C19 | 1.6° | 124.3° |
| C24 | N3 | C21 | C22 | 66.0° | 63.1° |
| C24 | N3 | C21 | H21 | 173.9° | 176.9° |
| C24 | N3 | C21 | H21A | 53.9° | 56.8° |
| N3 | C24 | C23 | H24 | 120.0° | 119.9° |
| N3 | C24 | C23 | H24A | 120.0° | 120.0° |
| N3 | C24 | C23 | H23 | 55.7° | 65.9° |
| N3 | C24 | C23 | H23A | 175.7° | 173.7° |
| N3 | C24 | H24 | H24A | 121.9° | 120.1° |
| O3 | C14 | C6 | C7 | 1.0° | 179.9° |
| O3 | C14 | C6 | H14 | 120.0° | 120.1° |
| O3 | C14 | C6 | H14A | 120.0° | 119.9° |
| O3 | C14 | C6 | H6 | 124.6° | 56.7° |
| O3 | C14 | H14 | H14A | 120.9° | 120.0° |
| C14 | O3 | C15 | C16 | 129.6° | 180.0° |
| C14 | O3 | C15 | C20 | 53.5° | 0.3° |
| C15 | O3 | C14 | C6 | 136.9° | 180.0° |
| C15 | O3 | C14 | H14 | 103.1° | 59.9° |
| C15 | O3 | C14 | H14A | 16.9° | 60.1° |
| O3 | C15 | C16 | C20 | 177.0° | 179.7° |
| O3 | C15 | C16 | C17 | 177.8° | 180.0° |
| O3 | C15 | C16 | H16 | 2.2° | 0.0° |
| O3 | C15 | C20 | C19 | 177.4° | 179.8° |
| O3 | C15 | C20 | H20 | 2.6° | 0.0° |
| C5 | C4 | H4 | H4A | 116.1° | 120.0° |
| C4 | C5 | C8 | C9 | 78.9° | 179.6° |
| C4 | C5 | C8 | C13 | 101.8° | 0.6° |
| H4 | C4 | C5 | C8 | 120.5° | 60.4° |
| H4A | C4 | C5 | C8 | 119.5° | 59.7° |
| C22 | N4 | C23 | C25 | 176.3° | 180.0° |
| C22 | N4 | C25 | O4 | 178.4° | 174.7° |
| N4 | C22 | C21 | H22 | 120.0° | 119.7° |
| N4 | C22 | C21 | H22A | 120.0° | 119.7° |
| N4 | C22 | C21 | H21 | 174.2° | 173.9° |
| N4 | C22 | C21 | H21A | 65.9° | 66.2° |
| N4 | C22 | H22 | H22A | 120.9° | 120.5° |
| C22 | N4 | C23 | C24 | 61.5° | 51.2° |
| C22 | N4 | C23 | H23 | 58.5° | 68.5° |
| C22 | N4 | C23 | H23A | 178.4° | 171.1° |
| C22 | N4 | C25 | C26 | 2.8° | 5.4° |
| C23 | N4 | C25 | O4 | 2.3° | 5.4° |
| C23 | N4 | C22 | C21 | 56.5° | 51.2° |
| C23 | N4 | C22 | H22 | 176.5° | 170.9° |
| C23 | N4 | C22 | H22A | 63.5° | 68.5° |
| N4 | C23 | C24 | H23 | 120.0° | 119.7° |
| N4 | C23 | C24 | H23A | 120.0° | 119.9° |
| N4 | C23 | H23 | H23A | 122.1° | 120.4° |
| N4 | C23 | C24 | H24 | 55.7° | 66.2° |
| N4 | C23 | C24 | H24A | 175.7° | 173.8° |
| C23 | N4 | C25 | C26 | 178.9° | 174.6° |
| N4 | C25 | O4 | C26 | 178.8° | 180.0° |
| C25 | N4 | C22 | C21 | 119.8° | 128.9° |
| C25 | N4 | C22 | H22 | 0.2° | 9.2° |
| C25 | N4 | C22 | H22A | 120.2° | 111.5° |
| C25 | N4 | C23 | C24 | 114.8° | 128.9° |
| C25 | N4 | C23 | H23 | 125.2° | 111.5° |
| C25 | N4 | C23 | H23A | 5.2° | 8.9° |
| N4 | C25 | C26 | H26 | 178.8° | 94.7° |
| N4 | C25 | C26 | H26A | 58.8° | 145.3° |
| N4 | C25 | C26 | H26B | 61.2° | 25.4° |
| O4 | C25 | C26 | H26 | 0.0° | 85.3° |
| O4 | C25 | C26 | H26A | 120.0° | 34.7° |
| O4 | C25 | C26 | H26B | 120.0° | 154.6° |
| C5 | C8 | C9 | C13 | 179.3° | 179.8° |
| C5 | C8 | C9 | C10 | 179.9° | 180.0° |
| C5 | C8 | C13 | C12 | 179.3° | 179.7° |
| C5 | C8 | C13 | H13 | 0.7° | 0.2° |
| C7 | C6 | C14 | H6 | 123.6° | 123.2° |
| C6 | C7 | H7 | H7A | 122.0° | 123.9° |
| C7 | C6 | C14 | H14 | 121.0° | 59.8° |
| C7 | C6 | C14 | H14A | 119.0° | 60.2° |
| C14 | C6 | C7 | H7 | 18.8° | 35.9° |
| C14 | C6 | C7 | H7A | 138.8° | 87.9° |
| C6 | C14 | H14 | H14A | 120.9° | 120.0° |
| H6 | C6 | C7 | H7 | 103.4° | 159.0° |
| H6 | C6 | C7 | H7A | 16.6° | 35.2° |
| H6 | C6 | C14 | H14 | 115.4° | 63.4° |
| H6 | C6 | C14 | H14A | 4.6° | 176.6° |
| C8 | C9 | C10 | C11 | 1.2° | 0.0° |
| C8 | C9 | C10 | H10 | 178.8° | 180.0° |
| C9 | C8 | C13 | C12 | 0.0° | 0.5° |
| C9 | C8 | C13 | H13 | 180.0° | 180.0° |
| C13 | C8 | C9 | C10 | 0.6° | 0.3° |
| C8 | C13 | C12 | C11 | 0.1° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.5° |
| C8 | C13 | C12 | H12 | 179.9° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.1° | 0.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.2° |
| C10 | C11 | C12 | H12 | 179.5° | 180.0° |
| H10 | C10 | C11 | C12 | 178.9° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.3° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C15 | C16 | C17 | H17 | 179.4° | 180.0° |
| C16 | C15 | C20 | C19 | 0.5° | 0.5° |
| C16 | C15 | C20 | H20 | 179.5° | 179.7° |
| C20 | C15 | C16 | C17 | 0.8° | 0.3° |
| C20 | C15 | C16 | H16 | 179.2° | 179.7° |
| C15 | C20 | C19 | C18 | 1.1° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.8° |
| C15 | C20 | C19 | H19 | 178.9° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 2.1° | 0.0° |
| H16 | C16 | C17 | C18 | 179.4° | 180.0° |
| H16 | C16 | C17 | H17 | 0.6° | 0.0° |
| C17 | C18 | C19 | C20 | 2.4° | 0.2° |
| C17 | C18 | C19 | H19 | 177.6° | 180.0° |
| H17 | C17 | C18 | C19 | 177.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | H20 | 178.9° | 179.8° |
| H19 | C19 | C20 | H20 | 1.1° | 0.1° |
| C22 | C21 | H21 | H21A | 120.9° | 120.0° |
| C21 | C22 | H22 | H22A | 121.0° | 120.5° |
| H21 | C21 | C22 | H22 | 65.9° | 66.4° |
| H21 | C21 | C22 | H22A | 54.1° | 54.2° |
| H21A | C21 | C22 | H22 | 54.1° | 53.6° |
| H21A | C21 | C22 | H22A | 174.1° | 174.1° |
| C24 | C23 | H23 | H23A | 122.1° | 120.6° |
| C23 | C24 | H24 | H24A | 121.9° | 120.1° |
| H23 | C23 | C24 | H24 | 175.7° | 174.1° |
| H23 | C23 | C24 | H24A | 64.3° | 54.1° |
| H23A | C23 | C24 | H24 | 64.3° | 53.7° |
| H23A | C23 | C24 | H24A | 55.7° | 66.3° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26B | 120.0° | 120.1° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| H26 | C26 | H26A | H26B | 119.9° | 120.0° |
