A1ADU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N3 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.55Å | 1.50Å | |
| C10 | C7 | sing | 1.55Å | 1.55Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.54Å | 1.54Å | |
| N3 | C9 | sing | 1.47Å | 1.46Å | |
| N2 | C6 | sing | 1.47Å | 1.48Å | |
| N2 | S1 | sing | 1.66Å | 1.63Å | |
| F1 | S1 | sing | 1.61Å | 1.57Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | N1 | doub | 1.49Å | 1.61Å | |
| N1 | C5 | sing | 1.32Å | 1.39Å | |
| C5 | C12 | doub | 1.47Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | CL2 | sing | 1.74Å | 1.74Å | |
| C13 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | CL1 | sing | 1.74Å | 1.74Å | |
| C2 | C1 | sing | 1.48Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | O3 | sing | 1.43Å | 1.43Å | |
| C15 | N4 | sing | 1.47Å | 1.47Å | |
| C1 | N4 | sing | 1.35Å | 1.34Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| O3 | C17 | sing | 1.43Å | 1.43Å | |
| N4 | C14 | sing | 1.47Å | 1.46Å | |
| C17 | C14 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N3 | C7 | 114.8° | 111.0° |
| C8 | N3 | C9 | 111.9° | 111.0° |
| N3 | C8 | H22 | 109.5° | 109.5° |
| N3 | C8 | H23 | 109.5° | 109.5° |
| N3 | C8 | H24 | 109.5° | 109.5° |
| C11 | C10 | C7 | 101.1° | 101.6° |
| C10 | C11 | N2 | 101.1° | 104.9° |
| C11 | C10 | H1 | 111.5° | 111.0° |
| C11 | C10 | H2 | 111.5° | 111.0° |
| C10 | C11 | H3 | 111.5° | 110.4° |
| C10 | C11 | H4 | 111.5° | 110.4° |
| C10 | C7 | N3 | 119.8° | 110.7° |
| C10 | C7 | C6 | 103.0° | 102.9° |
| C7 | C10 | H1 | 111.5° | 111.0° |
| C7 | C10 | H2 | 111.5° | 111.0° |
| C10 | C7 | H21 | 104.2° | 110.7° |
| C11 | N2 | C6 | 108.5° | 108.7° |
| C11 | N2 | S1 | 120.4° | 125.7° |
| N2 | C11 | H3 | 111.5° | 110.4° |
| N2 | C11 | H4 | 111.5° | 110.4° |
| N3 | C7 | C6 | 118.7° | 110.8° |
| C7 | N3 | C9 | 114.9° | 111.0° |
| N3 | C7 | H21 | 105.0° | 110.7° |
| C7 | C6 | N2 | 104.4° | 107.3° |
| C7 | C6 | H19 | 110.7° | 109.9° |
| C7 | C6 | H20 | 110.7° | 109.9° |
| C6 | C7 | H21 | 104.3° | 110.9° |
| N3 | C9 | H25 | 109.5° | 109.5° |
| N3 | C9 | H26 | 109.5° | 109.5° |
| N3 | C9 | H27 | 109.5° | 109.5° |
| C6 | N2 | S1 | 119.3° | 125.6° |
| N2 | C6 | H19 | 110.7° | 109.9° |
| N2 | C6 | H20 | 110.7° | 110.0° |
| N2 | S1 | F1 | 111.1° | 109.5° |
| N2 | S1 | O2 | 111.2° | 109.5° |
| N2 | S1 | N1 | 108.0° | 109.5° |
| F1 | S1 | O2 | 109.3° | 109.5° |
| F1 | S1 | N1 | 105.5° | 109.4° |
| O2 | S1 | N1 | 111.7° | 109.5° |
| S1 | N1 | C5 | 127.1° | 120.0° |
| N1 | C5 | C12 | 122.6° | 120.7° |
| N1 | C5 | C4 | 117.7° | 120.8° |
| C12 | C5 | C4 | 119.7° | 118.5° |
| C5 | C12 | C13 | 119.5° | 119.2° |
| C5 | C12 | H5 | 120.2° | 120.4° |
| C5 | C4 | C3 | 119.8° | 119.2° |
| C5 | C4 | H18 | 120.1° | 120.4° |
| C12 | C13 | CL2 | 117.6° | 119.6° |
| C12 | C13 | C2 | 121.8° | 120.8° |
| C13 | C12 | H5 | 120.2° | 120.4° |
| C4 | C3 | C2 | 121.7° | 120.8° |
| C4 | C3 | CL1 | 117.7° | 119.7° |
| C3 | C4 | H18 | 120.1° | 120.4° |
| CL2 | C13 | C2 | 120.6° | 119.6° |
| C13 | C2 | C3 | 117.5° | 121.5° |
| C13 | C2 | C1 | 121.6° | 119.2° |
| C2 | C3 | CL1 | 120.6° | 119.6° |
| C3 | C2 | C1 | 120.9° | 119.2° |
| C2 | C1 | N4 | 118.5° | 120.0° |
| C2 | C1 | O1 | 119.2° | 120.0° |
| C15 | C16 | O3 | 111.4° | 109.2° |
| C16 | C15 | N4 | 109.2° | 108.3° |
| C16 | C15 | H8 | 109.5° | 109.7° |
| C16 | C15 | H9 | 109.5° | 109.8° |
| C15 | C16 | H10 | 109.0° | 109.5° |
| C15 | C16 | H11 | 109.0° | 109.5° |
| C16 | O3 | C17 | 111.3° | 114.1° |
| O3 | C16 | H10 | 109.0° | 109.6° |
| O3 | C16 | H11 | 109.0° | 109.5° |
| C15 | N4 | C1 | 124.2° | 121.0° |
| C15 | N4 | C14 | 113.0° | 118.0° |
| N4 | C15 | H8 | 109.5° | 109.7° |
| N4 | C15 | H9 | 109.5° | 109.6° |
| N4 | C1 | O1 | 122.3° | 120.0° |
| C1 | N4 | C14 | 122.8° | 121.0° |
| O3 | C17 | C14 | 109.5° | 109.2° |
| O3 | C17 | C18 | 108.1° | 109.5° |
| O3 | C17 | H12 | 110.2° | 109.6° |
| N4 | C14 | C17 | 110.2° | 108.4° |
| N4 | C14 | H6 | 109.3° | 109.6° |
| N4 | C14 | H7 | 109.3° | 109.7° |
| C14 | C17 | C18 | 111.1° | 109.5° |
| C17 | C14 | H6 | 109.3° | 109.7° |
| C17 | C14 | H7 | 109.3° | 109.7° |
| C14 | C17 | H12 | 108.8° | 109.5° |
| C17 | C18 | C23 | 120.3° | 120.0° |
| C17 | C18 | C19 | 120.9° | 120.0° |
| C18 | C17 | H12 | 109.1° | 109.5° |
| C23 | C18 | C19 | 118.8° | 120.0° |
| C18 | C23 | C22 | 120.4° | 120.0° |
| C18 | C23 | H17 | 119.8° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C18 | C19 | H13 | 119.8° | 120.0° |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C23 | C22 | H16 | 119.9° | 120.1° |
| C22 | C23 | H17 | 119.8° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C20 | C19 | H13 | 119.8° | 120.0° |
| C19 | C20 | H14 | 119.9° | 120.0° |
| C22 | C21 | C20 | 119.9° | 120.0° |
| C22 | C21 | H15 | 120.1° | 120.0° |
| C21 | C22 | H16 | 119.9° | 120.0° |
| C21 | C20 | H14 | 119.9° | 120.0° |
| C20 | C21 | H15 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.5° | 110.9° |
| H3 | C11 | H4 | 109.5° | 110.4° |
| H6 | C14 | H7 | 109.5° | 109.7° |
| H8 | C15 | H9 | 109.5° | 109.7° |
| H10 | C16 | H11 | 109.4° | 109.5° |
| H19 | C6 | H20 | 109.4° | 109.9° |
| H22 | C8 | H23 | 109.5° | 109.4° |
| H22 | C8 | H24 | 109.4° | 109.5° |
| H23 | C8 | H24 | 109.5° | 109.5° |
| H25 | C9 | H26 | 109.4° | 109.5° |
| H25 | C9 | H27 | 109.5° | 109.5° |
| H26 | C9 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N3 | C7 | C10 | 35.5° | 178.1° |
| C8 | N3 | C7 | C9 | 131.9° | 124.0° |
| C8 | N3 | C7 | C6 | 163.0° | 64.6° |
| C8 | N3 | C7 | H21 | 81.0° | 58.8° |
| N3 | C8 | H22 | H23 | 120.0° | 120.0° |
| N3 | C8 | H22 | H24 | 120.0° | 120.1° |
| N3 | C8 | H23 | H24 | 120.0° | 120.0° |
| C8 | N3 | C9 | H25 | 180.0° | 169.5° |
| C8 | N3 | C9 | H26 | 60.0° | 49.5° |
| C8 | N3 | C9 | H27 | 60.0° | 70.5° |
| C11 | C10 | C7 | H1 | 118.6° | 118.1° |
| C11 | C10 | C7 | H2 | 118.6° | 118.1° |
| C10 | C11 | N2 | H3 | 118.6° | 118.9° |
| C10 | C11 | N2 | H4 | 118.6° | 118.9° |
| C11 | C10 | C7 | N3 | 172.8° | 153.9° |
| C11 | C10 | C7 | C6 | 38.3° | 35.5° |
| C10 | C11 | N2 | C6 | 38.2° | 24.1° |
| C10 | C11 | N2 | S1 | 179.2° | 155.8° |
| C11 | C10 | H1 | H2 | 123.9° | 123.9° |
| C10 | C11 | H3 | H4 | 123.9° | 122.3° |
| C11 | C10 | C7 | H21 | 70.3° | 83.0° |
| C7 | C10 | C11 | N2 | 46.3° | 37.0° |
| C10 | C7 | N3 | C6 | 127.5° | 113.5° |
| C10 | C7 | N3 | H21 | 116.5° | 123.1° |
| C10 | C7 | C6 | H21 | 108.6° | 118.4° |
| C10 | C7 | N3 | C9 | 167.4° | 57.9° |
| C10 | C7 | C6 | N2 | 15.5° | 22.2° |
| C7 | C10 | H1 | H2 | 123.9° | 123.9° |
| C7 | C10 | C11 | H3 | 164.9° | 155.9° |
| C7 | C10 | C11 | H4 | 72.3° | 81.9° |
| C10 | C7 | C6 | H19 | 134.7° | 141.6° |
| C10 | C7 | C6 | H20 | 103.7° | 97.4° |
| C11 | N2 | C6 | C7 | 13.6° | 1.1° |
| C11 | N2 | C6 | S1 | 143.1° | 180.0° |
| C11 | N2 | S1 | F1 | 30.0° | 119.9° |
| C11 | N2 | S1 | O2 | 91.9° | 120.0° |
| C11 | N2 | S1 | N1 | 145.3° | 0.0° |
| N2 | C11 | C10 | H1 | 164.9° | 155.1° |
| N2 | C11 | C10 | H2 | 72.3° | 81.1° |
| N2 | C11 | H3 | H4 | 123.9° | 122.2° |
| C11 | N2 | C6 | H19 | 105.6° | 118.3° |
| C11 | N2 | C6 | H20 | 132.8° | 120.5° |
| N3 | C7 | C6 | H21 | 116.4° | 123.3° |
| N3 | C7 | C6 | N2 | 150.6° | 140.5° |
| N3 | C7 | C10 | H1 | 68.6° | 88.0° |
| N3 | C7 | C10 | H2 | 54.1° | 35.8° |
| N3 | C7 | C6 | H19 | 90.2° | 100.1° |
| N3 | C7 | C6 | H20 | 31.4° | 21.0° |
| C7 | N3 | C8 | H22 | 180.0° | 60.1° |
| C7 | N3 | C8 | H23 | 60.0° | 180.0° |
| C7 | N3 | C8 | H24 | 60.0° | 60.0° |
| C7 | N3 | C9 | H25 | 46.7° | 66.5° |
| C7 | N3 | C9 | H26 | 73.2° | 173.4° |
| C7 | N3 | C9 | H27 | 166.7° | 53.5° |
| C6 | C7 | N3 | C9 | 65.1° | 171.5° |
| C7 | C6 | N2 | H19 | 119.2° | 119.4° |
| C7 | C6 | N2 | H20 | 119.2° | 119.5° |
| C7 | C6 | N2 | S1 | 156.7° | 178.9° |
| C6 | C7 | C10 | H1 | 157.0° | 153.5° |
| C6 | C7 | C10 | H2 | 80.3° | 82.6° |
| C7 | C6 | H19 | H20 | 122.3° | 121.0° |
| C9 | N3 | C7 | H21 | 50.9° | 65.2° |
| C9 | N3 | C8 | H22 | 46.7° | 63.9° |
| C9 | N3 | C8 | H23 | 73.3° | 56.0° |
| C9 | N3 | C8 | H24 | 166.7° | 176.1° |
| N3 | C9 | H25 | H26 | 120.0° | 120.0° |
| N3 | C9 | H25 | H27 | 120.0° | 120.0° |
| N3 | C9 | H26 | H27 | 120.0° | 120.0° |
| C6 | N2 | S1 | F1 | 108.6° | 60.0° |
| C6 | N2 | S1 | O2 | 129.5° | 60.0° |
| C6 | N2 | S1 | N1 | 6.6° | 180.0° |
| C6 | N2 | C11 | H3 | 156.8° | 143.0° |
| C6 | N2 | C11 | H4 | 80.4° | 94.7° |
| N2 | C6 | H19 | H20 | 122.3° | 121.2° |
| N2 | C6 | C7 | H21 | 93.1° | 96.2° |
| N2 | S1 | F1 | O2 | 123.0° | 120.0° |
| N2 | S1 | F1 | N1 | 116.8° | 120.0° |
| N2 | S1 | O2 | N1 | 120.8° | 120.0° |
| N2 | S1 | N1 | C5 | 175.2° | 113.7° |
| S1 | N2 | C11 | H3 | 60.6° | 37.0° |
| S1 | N2 | C11 | H4 | 62.2° | 85.3° |
| S1 | N2 | C6 | H19 | 37.5° | 61.7° |
| S1 | N2 | C6 | H20 | 84.1° | 59.4° |
| F1 | S1 | O2 | N1 | 116.3° | 120.0° |
| F1 | S1 | N1 | C5 | 56.3° | 6.3° |
| O2 | S1 | N1 | C5 | 62.3° | 126.3° |
| S1 | N1 | C5 | C12 | 26.5° | 38.5° |
| S1 | N1 | C5 | C4 | 154.2° | 140.9° |
| N1 | C5 | C12 | C4 | 179.3° | 179.5° |
| N1 | C5 | C12 | C13 | 179.6° | 180.0° |
| N1 | C5 | C4 | C3 | 179.8° | 180.0° |
| N1 | C5 | C12 | H5 | 0.4° | 0.2° |
| N1 | C5 | C4 | H18 | 0.2° | 0.3° |
| C5 | C12 | C13 | H5 | 180.0° | 179.8° |
| C12 | C5 | C4 | C3 | 0.4° | 0.5° |
| C5 | C12 | C13 | CL2 | 179.8° | 179.8° |
| C5 | C12 | C13 | C2 | 0.1° | 0.2° |
| C12 | C5 | C4 | H18 | 179.5° | 179.8° |
| C4 | C5 | C12 | C13 | 0.3° | 0.5° |
| C5 | C4 | C3 | H18 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.1° | 0.3° |
| C5 | C4 | C3 | CL1 | 179.8° | 179.8° |
| C4 | C5 | C12 | H5 | 179.7° | 179.7° |
| C12 | C13 | CL2 | C2 | 179.7° | 180.0° |
| C12 | C13 | C2 | C3 | 0.4° | 0.0° |
| C12 | C13 | C2 | C1 | 179.6° | 180.0° |
| C4 | C3 | C2 | C13 | 0.3° | 0.1° |
| C4 | C3 | C2 | CL1 | 179.9° | 179.9° |
| C4 | C3 | C2 | C1 | 179.5° | 180.0° |
| CL2 | C13 | C2 | C3 | 179.9° | 180.0° |
| CL2 | C13 | C2 | C1 | 0.7° | 0.0° |
| CL2 | C13 | C12 | H5 | 0.2° | 0.1° |
| C13 | C2 | C3 | C1 | 179.2° | 180.0° |
| C13 | C2 | C3 | CL1 | 179.8° | 179.9° |
| C13 | C2 | C1 | N4 | 95.6° | 90.0° |
| C13 | C2 | C1 | O1 | 85.7° | 89.7° |
| C2 | C13 | C12 | H5 | 179.9° | 180.0° |
| C3 | C2 | C1 | N4 | 85.2° | 90.0° |
| C3 | C2 | C1 | O1 | 93.5° | 90.3° |
| C2 | C3 | C4 | H18 | 179.8° | 180.0° |
| CL1 | C3 | C2 | C1 | 0.6° | 0.1° |
| CL1 | C3 | C4 | H18 | 0.3° | 0.1° |
| C2 | C1 | N4 | C15 | 13.3° | 0.2° |
| C2 | C1 | N4 | O1 | 178.7° | 179.7° |
| C2 | C1 | N4 | C14 | 167.6° | 179.7° |
| C15 | C16 | O3 | H10 | 120.3° | 120.0° |
| C15 | C16 | O3 | H11 | 120.3° | 119.9° |
| C16 | C15 | N4 | H8 | 120.0° | 119.8° |
| C16 | C15 | N4 | H9 | 119.9° | 119.8° |
| C16 | C15 | N4 | C1 | 126.0° | 129.5° |
| C15 | C16 | O3 | C17 | 60.4° | 62.6° |
| C16 | C15 | N4 | C14 | 53.2° | 50.6° |
| C16 | C15 | H8 | H9 | 120.1° | 120.6° |
| C15 | C16 | H10 | H11 | 119.1° | 120.1° |
| O3 | C16 | C15 | N4 | 55.2° | 52.4° |
| C16 | O3 | C17 | C14 | 60.0° | 62.6° |
| C16 | O3 | C17 | C18 | 178.9° | 177.5° |
| O3 | C16 | C15 | H8 | 64.8° | 67.4° |
| O3 | C16 | C15 | H9 | 175.1° | 172.0° |
| O3 | C16 | H10 | H11 | 119.1° | 120.2° |
| C16 | O3 | C17 | H12 | 59.8° | 57.4° |
| C15 | N4 | C1 | C14 | 179.1° | 179.9° |
| C15 | N4 | C1 | O1 | 168.0° | 180.0° |
| C15 | N4 | C14 | C17 | 54.3° | 50.6° |
| C15 | N4 | C14 | H6 | 65.8° | 170.3° |
| C15 | N4 | C14 | H7 | 174.5° | 69.2° |
| N4 | C15 | H8 | H9 | 120.1° | 120.5° |
| N4 | C15 | C16 | H10 | 65.2° | 67.6° |
| N4 | C15 | C16 | H11 | 175.5° | 172.3° |
| C1 | N4 | C14 | C17 | 124.9° | 129.5° |
| C1 | N4 | C14 | H6 | 115.0° | 9.8° |
| C1 | N4 | C14 | H7 | 4.8° | 110.8° |
| C1 | N4 | C15 | H8 | 114.0° | 110.8° |
| C1 | N4 | C15 | H9 | 6.1° | 9.7° |
| O1 | C1 | N4 | C14 | 11.1° | 0.0° |
| O3 | C17 | C14 | N4 | 56.4° | 52.4° |
| O3 | C17 | C14 | C18 | 119.3° | 119.9° |
| O3 | C17 | C14 | H12 | 120.6° | 120.0° |
| O3 | C17 | C18 | H12 | 119.8° | 120.2° |
| O3 | C17 | C18 | C23 | 54.9° | 140.2° |
| O3 | C17 | C18 | C19 | 126.1° | 40.0° |
| O3 | C17 | C14 | H6 | 63.7° | 172.0° |
| O3 | C17 | C14 | H7 | 176.6° | 67.4° |
| C17 | O3 | C16 | H10 | 59.9° | 57.3° |
| C17 | O3 | C16 | H11 | 179.3° | 177.5° |
| N4 | C14 | C17 | H6 | 120.1° | 119.7° |
| N4 | C14 | C17 | H7 | 120.1° | 119.8° |
| N4 | C14 | C17 | C18 | 175.7° | 172.2° |
| N4 | C14 | H6 | H7 | 119.7° | 120.6° |
| C14 | N4 | C15 | H8 | 66.8° | 69.2° |
| C14 | N4 | C15 | H9 | 173.1° | 170.3° |
| N4 | C14 | C17 | H12 | 64.2° | 67.7° |
| C14 | C17 | C18 | H12 | 120.0° | 120.1° |
| C14 | C17 | C18 | C23 | 65.3° | 100.1° |
| C14 | C17 | C18 | C19 | 113.7° | 79.7° |
| C17 | C14 | H6 | H7 | 119.6° | 120.6° |
| C17 | C18 | C23 | C19 | 179.1° | 179.8° |
| C17 | C18 | C23 | C22 | 179.6° | 179.8° |
| C17 | C18 | C19 | C20 | 179.6° | 180.0° |
| C18 | C17 | C14 | H6 | 55.6° | 68.1° |
| C18 | C17 | C14 | H7 | 64.1° | 52.5° |
| C17 | C18 | C19 | H13 | 0.4° | 0.0° |
| C17 | C18 | C23 | H17 | 0.4° | 0.1° |
| C18 | C23 | C22 | H17 | 180.0° | 179.9° |
| C23 | C18 | C19 | C20 | 0.5° | 0.2° |
| C18 | C23 | C22 | C21 | 0.3° | 0.4° |
| C23 | C18 | C17 | H12 | 174.7° | 20.0° |
| C23 | C18 | C19 | H13 | 179.4° | 179.8° |
| C18 | C23 | C22 | H16 | 179.7° | 179.7° |
| C19 | C18 | C23 | C22 | 0.5° | 0.4° |
| C18 | C19 | C20 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C18 | C17 | H12 | 6.2° | 160.2° |
| C18 | C19 | C20 | H14 | 179.7° | 180.0° |
| C19 | C18 | C23 | H17 | 179.5° | 179.7° |
| C23 | C22 | C21 | H16 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.1° | 0.2° |
| C23 | C22 | C21 | H15 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H14 | 180.0° | 180.0° |
| C19 | C20 | C21 | H15 | 179.9° | 179.9° |
| C22 | C21 | C20 | H15 | 180.0° | 179.9° |
| C22 | C21 | C20 | H14 | 179.9° | 180.0° |
| C21 | C22 | C23 | H17 | 179.7° | 179.7° |
| C21 | C20 | C19 | H13 | 179.7° | 180.0° |
| C20 | C21 | C22 | H16 | 179.9° | 179.9° |
| H1 | C10 | C11 | H3 | 76.4° | 86.0° |
| H1 | C10 | C11 | H4 | 46.3° | 36.2° |
| H1 | C10 | C7 | H21 | 48.3° | 35.0° |
| H2 | C10 | C11 | H3 | 46.3° | 37.8° |
| H2 | C10 | C11 | H4 | 169.0° | 160.1° |
| H2 | C10 | C7 | H21 | 171.1° | 158.9° |
| H6 | C14 | C17 | H12 | 175.7° | 52.0° |
| H7 | C14 | C17 | H12 | 56.0° | 172.5° |
| H8 | C15 | C16 | H10 | 174.9° | 172.6° |
| H8 | C15 | C16 | H11 | 55.5° | 52.5° |
| H9 | C15 | C16 | H10 | 54.8° | 52.0° |
| H9 | C15 | C16 | H11 | 64.6° | 68.0° |
| H13 | C19 | C20 | H14 | 0.4° | 0.1° |
| H14 | C20 | C21 | H15 | 0.1° | 0.0° |
| H15 | C21 | C22 | H16 | 0.1° | 0.0° |
| H16 | C22 | C23 | H17 | 0.3° | 0.1° |
| H19 | C6 | C7 | H21 | 26.2° | 23.2° |
| H20 | C6 | C7 | H21 | 147.7° | 144.2° |
| H22 | C8 | H23 | H24 | 120.0° | 119.9° |
| H25 | C9 | H26 | H27 | 120.0° | 120.0° |
