A1BF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C22 | sing | 1.74Å | 1.79Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.51Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | BR | sing | 1.89Å | 1.94Å | |
| C14 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | S1 | sing | 1.76Å | 1.64Å | |
| S1 | O3 | doub | 1.42Å | 1.44Å | |
| S1 | O4 | doub | 1.42Å | 1.44Å | |
| S1 | N1 | sing | 1.66Å | 1.66Å | |
| N1 | C8 | sing | 1.47Å | 1.50Å | |
| N1 | C9 | sing | 1.47Å | 1.49Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | F | sing | 1.40Å | 1.33Å | |
| C6 | C5 | sing | 1.51Å | 1.55Å | |
| C5 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | N | sing | 1.35Å | 1.35Å | |
| N | C3 | sing | 1.46Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | S | sing | 1.81Å | 1.67Å | |
| S | O | doub | 1.42Å | 1.44Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| S | C | sing | 1.81Å | 1.68Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C22 | C21 | 114.3° | 120.1° |
| CL | C22 | C17 | 123.4° | 120.1° |
| C21 | C22 | C17 | 122.3° | 119.8° |
| C22 | C21 | C20 | 119.2° | 120.1° |
| C22 | C21 | H24 | 120.4° | 119.9° |
| C22 | C17 | C18 | 117.8° | 119.8° |
| C22 | C17 | C16 | 126.3° | 120.1° |
| C21 | C20 | C19 | 118.8° | 120.3° |
| C20 | C21 | H24 | 120.4° | 119.9° |
| C21 | C20 | H23 | 120.6° | 119.8° |
| C20 | C19 | C18 | 121.9° | 120.2° |
| C19 | C20 | H23 | 120.6° | 119.9° |
| C20 | C19 | H22 | 119.1° | 119.9° |
| C19 | C18 | C17 | 120.0° | 119.8° |
| C18 | C19 | H22 | 119.0° | 119.9° |
| C19 | C18 | H21 | 120.0° | 120.1° |
| C18 | C17 | C16 | 115.9° | 120.1° |
| C17 | C18 | H21 | 120.0° | 120.0° |
| C17 | C16 | C15 | 117.4° | 120.1° |
| C17 | C16 | C11 | 122.9° | 120.1° |
| C15 | C16 | C11 | 119.6° | 119.8° |
| C16 | C15 | C14 | 121.7° | 119.9° |
| C16 | C15 | H20 | 119.2° | 120.0° |
| C16 | C11 | C12 | 119.1° | 119.9° |
| C16 | C11 | S1 | 123.6° | 120.1° |
| C15 | C14 | BR | 121.3° | 120.0° |
| C15 | C14 | C13 | 117.5° | 120.1° |
| C14 | C15 | H20 | 119.2° | 120.1° |
| BR | C14 | C13 | 121.2° | 120.0° |
| C14 | C13 | C12 | 122.3° | 120.3° |
| C14 | C13 | H19 | 118.9° | 119.9° |
| C13 | C12 | C11 | 119.9° | 120.1° |
| C13 | C12 | H18 | 120.1° | 119.9° |
| C12 | C13 | H19 | 118.9° | 119.8° |
| C12 | C11 | S1 | 117.3° | 120.0° |
| C11 | C12 | H18 | 120.1° | 119.9° |
| C11 | S1 | O3 | 107.1° | 106.4° |
| C11 | S1 | O4 | 108.9° | 106.4° |
| C11 | S1 | N1 | 107.0° | 107.2° |
| O3 | S1 | O4 | 111.8° | 123.1° |
| O3 | S1 | N1 | 109.7° | 106.4° |
| O4 | S1 | N1 | 112.1° | 106.4° |
| S1 | N1 | C8 | 115.7° | 120.6° |
| S1 | N1 | C9 | 115.7° | 120.7° |
| C8 | N1 | C9 | 116.6° | 118.7° |
| N1 | C8 | C7 | 114.8° | 108.8° |
| N1 | C8 | H13 | 108.1° | 109.6° |
| N1 | C8 | H12 | 108.1° | 109.7° |
| N1 | C9 | C10 | 114.1° | 108.8° |
| N1 | C9 | H15 | 108.3° | 109.6° |
| N1 | C9 | H14 | 108.3° | 109.5° |
| C8 | C7 | C6 | 108.8° | 109.3° |
| C7 | C8 | H13 | 108.1° | 109.6° |
| C7 | C8 | H12 | 108.1° | 109.6° |
| C8 | C7 | H10 | 109.7° | 109.5° |
| C8 | C7 | H11 | 109.6° | 109.5° |
| C7 | C6 | C10 | 110.2° | 109.6° |
| C7 | C6 | F | 103.2° | 109.4° |
| C7 | C6 | C5 | 113.5° | 109.5° |
| C6 | C7 | H10 | 109.6° | 109.4° |
| C6 | C7 | H11 | 109.6° | 109.5° |
| C9 | C10 | C6 | 116.1° | 109.3° |
| C10 | C9 | H15 | 108.3° | 109.6° |
| C10 | C9 | H14 | 108.3° | 109.6° |
| C9 | C10 | H16 | 107.8° | 109.5° |
| C9 | C10 | H17 | 107.8° | 109.5° |
| C10 | C6 | F | 112.9° | 109.5° |
| C10 | C6 | C5 | 105.3° | 109.5° |
| C6 | C10 | H16 | 107.8° | 109.5° |
| C6 | C10 | H17 | 107.8° | 109.5° |
| F | C6 | C5 | 112.1° | 109.5° |
| C6 | C5 | O2 | 123.9° | 120.0° |
| C6 | C5 | N | 112.4° | 120.0° |
| O2 | C5 | N | 123.7° | 120.0° |
| C5 | N | C3 | 127.4° | 120.0° |
| C5 | N | H9 | 116.3° | 120.0° |
| N | C3 | C4 | 109.4° | 109.5° |
| N | C3 | C2 | 109.6° | 109.5° |
| N | C3 | H | 110.2° | 109.5° |
| C3 | N | H9 | 116.3° | 120.0° |
| C4 | C3 | C2 | 109.3° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.5° | 109.4° |
| C3 | C4 | H8 | 109.5° | 109.4° |
| C4 | C3 | H | 109.2° | 109.5° |
| C3 | C2 | C1 | 111.7° | 109.5° |
| C2 | C3 | H | 109.1° | 109.5° |
| C3 | C2 | H26 | 108.9° | 109.4° |
| C3 | C2 | H5 | 108.9° | 109.5° |
| C2 | C1 | S | 113.2° | 109.5° |
| C1 | C2 | H26 | 108.9° | 109.4° |
| C1 | C2 | H5 | 108.9° | 109.5° |
| C2 | C1 | H4 | 108.6° | 109.5° |
| C2 | C1 | H25 | 108.5° | 109.5° |
| C1 | S | O | 113.8° | 108.6° |
| C1 | S | O1 | 102.0° | 108.6° |
| C1 | S | C | 108.4° | 101.9° |
| S | C1 | H4 | 108.5° | 109.5° |
| S | C1 | H25 | 108.5° | 109.5° |
| O | S | O1 | 107.0° | 119.2° |
| O | S | C | 110.1° | 108.5° |
| O1 | S | C | 115.3° | 108.6° |
| S | C | H2 | 109.5° | 109.5° |
| S | C | H3 | 109.5° | 109.5° |
| S | C | H1 | 109.4° | 109.4° |
| H13 | C8 | H12 | 109.5° | 109.6° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H7 | C4 | H6 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.6° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H26 | C2 | H5 | 109.5° | 109.5° |
| H4 | C1 | H25 | 109.5° | 109.5° |
| H15 | C9 | H14 | 109.5° | 109.7° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H1 | 109.4° | 109.5° |
| H3 | C | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C22 | C21 | C17 | 179.3° | 180.0° |
| CL | C22 | C21 | C20 | 179.2° | 180.0° |
| CL | C22 | C17 | C18 | 179.8° | 179.8° |
| CL | C22 | C17 | C16 | 0.4° | 0.0° |
| CL | C22 | C21 | H24 | 0.8° | 0.0° |
| C22 | C21 | C20 | H24 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.9° | 0.0° |
| C21 | C22 | C17 | C18 | 0.5° | 0.3° |
| C21 | C22 | C17 | C16 | 178.9° | 180.0° |
| C22 | C21 | C20 | H23 | 179.1° | 180.0° |
| C17 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C17 | C18 | C19 | 0.4° | 0.5° |
| C22 | C17 | C18 | C16 | 179.5° | 179.7° |
| C22 | C17 | C16 | C15 | 83.8° | 104.8° |
| C22 | C17 | C16 | C11 | 99.4° | 74.6° |
| C17 | C22 | C21 | H24 | 179.9° | 180.0° |
| C22 | C17 | C18 | H21 | 179.6° | 180.0° |
| C21 | C20 | C19 | H23 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.0° | 0.2° |
| C21 | C20 | C19 | H22 | 179.0° | 180.0° |
| C20 | C19 | C18 | H22 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 0.3° | 0.5° |
| C19 | C20 | C21 | H24 | 179.1° | 180.0° |
| C20 | C19 | C18 | H21 | 179.6° | 180.0° |
| C19 | C18 | C17 | H21 | 180.0° | 179.6° |
| C19 | C18 | C17 | C16 | 179.1° | 179.8° |
| C18 | C19 | C20 | H23 | 179.0° | 179.8° |
| C18 | C17 | C16 | C15 | 96.8° | 75.0° |
| C18 | C17 | C16 | C11 | 80.0° | 105.7° |
| C17 | C18 | C19 | H22 | 179.7° | 179.7° |
| C17 | C16 | C15 | C11 | 176.9° | 179.4° |
| C17 | C16 | C15 | C14 | 178.6° | 180.0° |
| C17 | C16 | C11 | C12 | 178.6° | 180.0° |
| C17 | C16 | C11 | S1 | 2.8° | 0.3° |
| C17 | C16 | C15 | H20 | 1.4° | 0.3° |
| C16 | C17 | C18 | H21 | 0.9° | 0.2° |
| C16 | C15 | C14 | H20 | 180.0° | 179.8° |
| C16 | C15 | C14 | BR | 179.6° | 179.7° |
| C16 | C15 | C14 | C13 | 0.6° | 0.3° |
| C15 | C16 | C11 | C12 | 1.9° | 0.6° |
| C15 | C16 | C11 | S1 | 179.5° | 179.7° |
| C11 | C16 | C15 | C14 | 1.7° | 0.6° |
| C16 | C11 | C12 | C13 | 1.0° | 0.3° |
| C16 | C11 | C12 | S1 | 178.7° | 179.7° |
| C16 | C11 | S1 | O3 | 57.3° | 82.3° |
| C16 | C11 | S1 | O4 | 178.3° | 50.6° |
| C16 | C11 | S1 | N1 | 60.3° | 164.1° |
| C16 | C11 | C12 | H18 | 179.0° | 179.7° |
| C11 | C16 | C15 | H20 | 178.3° | 179.6° |
| C15 | C14 | BR | C13 | 179.8° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.1° |
| C15 | C14 | C13 | H19 | 179.7° | 180.0° |
| BR | C14 | C13 | C12 | 179.5° | 180.0° |
| BR | C14 | C13 | H19 | 0.5° | 0.0° |
| BR | C14 | C15 | H20 | 0.4° | 0.0° |
| C14 | C13 | C12 | H19 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H18 | 179.9° | 179.9° |
| C13 | C14 | C15 | H20 | 179.4° | 180.0° |
| C13 | C12 | C11 | H18 | 180.0° | 180.0° |
| C13 | C12 | C11 | S1 | 179.7° | 180.0° |
| C12 | C11 | S1 | O3 | 124.1° | 98.0° |
| C12 | C11 | S1 | O4 | 3.1° | 129.1° |
| C12 | C11 | S1 | N1 | 118.3° | 15.6° |
| C11 | C12 | C13 | H19 | 179.9° | 180.0° |
| C11 | S1 | O3 | O4 | 119.2° | 122.9° |
| C11 | S1 | O3 | N1 | 115.8° | 114.1° |
| C11 | S1 | O4 | N1 | 118.2° | 114.1° |
| C11 | S1 | N1 | C8 | 99.4° | 96.4° |
| C11 | S1 | N1 | C9 | 119.2° | 83.5° |
| S1 | C11 | C12 | H18 | 0.3° | 0.0° |
| O3 | S1 | O4 | N1 | 123.7° | 123.0° |
| O3 | S1 | N1 | C8 | 144.8° | 17.1° |
| O3 | S1 | N1 | C9 | 3.4° | 163.0° |
| O4 | S1 | N1 | C8 | 20.0° | 150.0° |
| O4 | S1 | N1 | C9 | 121.4° | 30.0° |
| S1 | N1 | C8 | C9 | 141.0° | 180.0° |
| S1 | N1 | C8 | C7 | 97.5° | 126.4° |
| S1 | N1 | C9 | C10 | 106.3° | 126.4° |
| S1 | N1 | C8 | H13 | 23.3° | 113.8° |
| S1 | N1 | C8 | H12 | 141.7° | 6.5° |
| S1 | N1 | C9 | H15 | 133.0° | 113.8° |
| S1 | N1 | C9 | H14 | 14.4° | 6.6° |
| N1 | C8 | C7 | H13 | 120.8° | 119.8° |
| N1 | C8 | C7 | H12 | 120.8° | 119.9° |
| N1 | C8 | C7 | C6 | 54.7° | 54.6° |
| C8 | N1 | C9 | C10 | 34.8° | 53.6° |
| N1 | C8 | H13 | H12 | 117.6° | 120.4° |
| N1 | C8 | C7 | H10 | 65.1° | 65.3° |
| N1 | C8 | C7 | H11 | 174.6° | 174.6° |
| C8 | N1 | C9 | H15 | 85.9° | 66.2° |
| C8 | N1 | C9 | H14 | 155.4° | 173.4° |
| C9 | N1 | C8 | C7 | 43.6° | 53.6° |
| N1 | C9 | C10 | H15 | 120.7° | 119.8° |
| N1 | C9 | C10 | H14 | 120.7° | 119.7° |
| N1 | C9 | C10 | C6 | 40.1° | 54.6° |
| C9 | N1 | C8 | H13 | 164.3° | 66.2° |
| C9 | N1 | C8 | H12 | 77.2° | 173.5° |
| N1 | C9 | H15 | H14 | 117.9° | 120.3° |
| N1 | C9 | C10 | H16 | 161.1° | 65.3° |
| N1 | C9 | C10 | H17 | 80.8° | 174.6° |
| C8 | C7 | C6 | H10 | 119.9° | 120.0° |
| C8 | C7 | C6 | H11 | 119.9° | 120.0° |
| C8 | C7 | C6 | C10 | 57.8° | 61.3° |
| C8 | C7 | C6 | F | 62.9° | 58.7° |
| C8 | C7 | C6 | C5 | 175.5° | 178.6° |
| C7 | C8 | H13 | H12 | 117.5° | 120.3° |
| C8 | C7 | H10 | H11 | 120.3° | 120.1° |
| C7 | C6 | C10 | C9 | 52.9° | 61.3° |
| C7 | C6 | C10 | F | 114.7° | 120.0° |
| C7 | C6 | C10 | C5 | 122.7° | 120.0° |
| C7 | C6 | F | C5 | 122.5° | 120.0° |
| C7 | C6 | C5 | O2 | 54.8° | 0.0° |
| C7 | C6 | C5 | N | 126.1° | 180.0° |
| C6 | C7 | C8 | H13 | 175.5° | 65.2° |
| C6 | C7 | C8 | H12 | 66.1° | 174.5° |
| C6 | C7 | H10 | H11 | 120.3° | 120.0° |
| C7 | C6 | C10 | H16 | 173.9° | 58.6° |
| C7 | C6 | C10 | H17 | 68.0° | 178.7° |
| C9 | C10 | C6 | H16 | 121.0° | 119.9° |
| C9 | C10 | C6 | H17 | 120.9° | 119.9° |
| C9 | C10 | C6 | F | 61.8° | 58.7° |
| C9 | C10 | C6 | C5 | 175.6° | 178.6° |
| C10 | C9 | H15 | H14 | 117.9° | 120.4° |
| C9 | C10 | H16 | H17 | 117.0° | 120.1° |
| C10 | C6 | F | C5 | 118.7° | 120.0° |
| C10 | C6 | C5 | O2 | 65.7° | 120.1° |
| C10 | C6 | C5 | N | 113.4° | 59.9° |
| C10 | C6 | C7 | H10 | 62.1° | 58.6° |
| C10 | C6 | C7 | H11 | 177.7° | 178.6° |
| C6 | C10 | C9 | H15 | 80.6° | 65.2° |
| C6 | C10 | C9 | H14 | 160.8° | 174.4° |
| C6 | C10 | H16 | H17 | 117.0° | 120.1° |
| F | C6 | C5 | O2 | 171.2° | 119.9° |
| F | C6 | C5 | N | 9.7° | 60.0° |
| F | C6 | C7 | H10 | 177.2° | 178.6° |
| F | C6 | C7 | H11 | 57.0° | 61.3° |
| F | C6 | C10 | H16 | 59.2° | 178.6° |
| F | C6 | C10 | H17 | 177.3° | 61.3° |
| C6 | C5 | O2 | N | 179.0° | 180.0° |
| C6 | C5 | N | C3 | 177.0° | 180.0° |
| C5 | C6 | C7 | H10 | 55.7° | 61.4° |
| C5 | C6 | C7 | H11 | 64.6° | 58.6° |
| C5 | C6 | C10 | H16 | 63.4° | 61.5° |
| C5 | C6 | C10 | H17 | 54.7° | 58.7° |
| C6 | C5 | N | H9 | 3.0° | 0.1° |
| O2 | C5 | N | C3 | 3.9° | 0.0° |
| O2 | C5 | N | H9 | 176.1° | 179.9° |
| C5 | N | C3 | H9 | 180.0° | 179.9° |
| C5 | N | C3 | C4 | 145.9° | 85.0° |
| C5 | N | C3 | C2 | 94.3° | 155.0° |
| C5 | N | C3 | H | 25.9° | 35.0° |
| N | C3 | C4 | C2 | 120.0° | 120.1° |
| N | C3 | C4 | H | 120.7° | 120.0° |
| N | C3 | C2 | H | 120.8° | 120.0° |
| N | C3 | C2 | C1 | 67.6° | 65.0° |
| N | C3 | C4 | H7 | 180.0° | 60.0° |
| N | C3 | C4 | H6 | 60.0° | 180.0° |
| N | C3 | C4 | H8 | 60.0° | 60.1° |
| N | C3 | C2 | H26 | 52.7° | 55.0° |
| N | C3 | C2 | H5 | 172.0° | 175.0° |
| C4 | C3 | C2 | H | 119.3° | 120.0° |
| C4 | C3 | C2 | C1 | 172.5° | 175.0° |
| C3 | C4 | H7 | H6 | 120.0° | 119.9° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C3 | C4 | H6 | H8 | 120.0° | 119.9° |
| C4 | C3 | C2 | H26 | 67.2° | 65.1° |
| C4 | C3 | C2 | H5 | 52.1° | 55.0° |
| C4 | C3 | N | H9 | 34.1° | 95.1° |
| C3 | C2 | C1 | H26 | 120.3° | 119.9° |
| C3 | C2 | C1 | H5 | 120.4° | 120.0° |
| C3 | C2 | C1 | S | 112.3° | 180.0° |
| C2 | C3 | C4 | H7 | 60.0° | 179.9° |
| C2 | C3 | C4 | H6 | 60.0° | 60.0° |
| C2 | C3 | C4 | H8 | 180.0° | 60.0° |
| C3 | C2 | H26 | H5 | 119.0° | 120.0° |
| C3 | C2 | C1 | H4 | 8.3° | 60.0° |
| C3 | C2 | C1 | H25 | 127.2° | 60.0° |
| C2 | C3 | N | H9 | 85.8° | 25.0° |
| C2 | C1 | S | H4 | 120.6° | 120.0° |
| C2 | C1 | S | H25 | 120.5° | 120.0° |
| C2 | C1 | S | O | 13.5° | 65.5° |
| C2 | C1 | S | O1 | 101.4° | 65.5° |
| C2 | C1 | S | C | 136.5° | 180.0° |
| C1 | C2 | C3 | H | 53.2° | 55.0° |
| C1 | C2 | H26 | H5 | 119.0° | 120.0° |
| C2 | C1 | H4 | H25 | 118.3° | 120.0° |
| C1 | S | O | O1 | 111.9° | 125.0° |
| C1 | S | O | C | 122.0° | 110.1° |
| C1 | S | O1 | C | 117.3° | 110.1° |
| S | C1 | C2 | H26 | 127.4° | 60.1° |
| S | C1 | C2 | H5 | 8.1° | 60.0° |
| S | C1 | H4 | H25 | 118.3° | 120.0° |
| C1 | S | C | H2 | 180.0° | 60.0° |
| C1 | S | C | H3 | 60.0° | 180.0° |
| C1 | S | C | H1 | 60.0° | 60.0° |
| O | S | O1 | C | 122.9° | 124.9° |
| O | S | C1 | H4 | 107.0° | 174.5° |
| O | S | C1 | H25 | 134.1° | 54.5° |
| O | S | C | H2 | 54.9° | 54.5° |
| O | S | C | H3 | 65.1° | 65.6° |
| O | S | C | H1 | 174.8° | 174.5° |
| O1 | S | C1 | H4 | 138.1° | 54.5° |
| O1 | S | C1 | H25 | 19.2° | 174.5° |
| O1 | S | C | H2 | 66.3° | 174.5° |
| O1 | S | C | H3 | 173.7° | 65.4° |
| O1 | S | C | H1 | 53.6° | 54.6° |
| C | S | C1 | H4 | 15.9° | 60.0° |
| C | S | C1 | H25 | 103.0° | 60.0° |
| S | C | H2 | H3 | 120.0° | 120.0° |
| S | C | H2 | H1 | 120.0° | 119.9° |
| S | C | H3 | H1 | 120.0° | 119.9° |
| H13 | C8 | C7 | H10 | 55.7° | 174.9° |
| H13 | C8 | C7 | H11 | 64.6° | 54.8° |
| H12 | C8 | C7 | H10 | 174.1° | 54.6° |
| H12 | C8 | C7 | H11 | 53.8° | 65.5° |
| H7 | C4 | H6 | H8 | 120.0° | 120.1° |
| H7 | C4 | C3 | H | 59.3° | 60.0° |
| H6 | C4 | C3 | H | 179.3° | 60.0° |
| H8 | C4 | C3 | H | 60.7° | 180.0° |
| H | C3 | C2 | H26 | 173.5° | 175.0° |
| H | C3 | C2 | H5 | 67.2° | 65.0° |
| H | C3 | N | H9 | 154.1° | 145.0° |
| H26 | C2 | C1 | H4 | 112.0° | 179.9° |
| H26 | C2 | C1 | H25 | 6.9° | 59.9° |
| H5 | C2 | C1 | H4 | 128.6° | 60.0° |
| H5 | C2 | C1 | H25 | 112.4° | 180.0° |
| H18 | C12 | C13 | H19 | 0.1° | 0.0° |
| H24 | C21 | C20 | H23 | 0.8° | 0.0° |
| H23 | C20 | C19 | H22 | 1.0° | 0.0° |
| H22 | C19 | C18 | H21 | 0.3° | 0.2° |
| H15 | C9 | C10 | H16 | 40.4° | 174.9° |
| H15 | C9 | C10 | H17 | 158.5° | 54.8° |
| H14 | C9 | C10 | H16 | 78.3° | 54.4° |
| H14 | C9 | C10 | H17 | 39.8° | 65.7° |
| H2 | C | H3 | H1 | 120.0° | 120.0° |
