A1CRK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | S1 | sing | 1.84Å | 1.73Å | |
| C21 | C20 | sing | 1.55Å | 1.39Å | |
| S1 | C22 | sing | 1.84Å | 1.82Å | |
| C20 | N2 | sing | 1.46Å | 1.48Å | |
| O1 | C1 | doub | 1.21Å | 1.27Å | |
| N2 | C1 | sing | 1.35Å | 1.34Å | |
| N2 | C22 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.52Å | 1.52Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C3 | C4 | sing | 1.56Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N1 | C9 | sing | 1.47Å | 1.48Å | |
| N1 | C10 | sing | 1.35Å | 1.34Å | |
| C9 | C4 | sing | 1.54Å | 1.55Å | |
| C10 | O2 | doub | 1.21Å | 1.27Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C21 | C20 | 102.3° | 99.7° |
| C21 | S1 | C22 | 93.8° | 94.8° |
| S1 | C21 | H26 | 111.3° | 111.3° |
| S1 | C21 | H25 | 111.2° | 111.4° |
| C21 | C20 | N2 | 112.2° | 109.5° |
| C21 | C20 | H24 | 108.8° | 109.5° |
| C21 | C20 | H23 | 108.8° | 109.5° |
| C20 | C21 | H26 | 111.2° | 111.2° |
| C20 | C21 | H25 | 111.2° | 111.6° |
| S1 | C22 | N2 | 96.2° | 105.0° |
| S1 | C22 | H27 | 112.7° | 110.4° |
| S1 | C22 | H28 | 112.7° | 110.2° |
| C20 | N2 | C1 | 107.2° | 122.5° |
| C20 | N2 | C22 | 113.6° | 115.0° |
| N2 | C20 | H24 | 108.8° | 109.4° |
| N2 | C20 | H23 | 108.8° | 109.5° |
| O1 | C1 | N2 | 119.3° | 120.0° |
| O1 | C1 | C2 | 121.8° | 120.0° |
| C1 | N2 | C22 | 138.6° | 122.5° |
| N2 | C1 | C2 | 118.9° | 120.0° |
| N2 | C22 | H27 | 112.7° | 110.4° |
| N2 | C22 | H28 | 112.7° | 110.3° |
| C7 | C6 | C5 | 110.1° | 108.7° |
| C6 | C7 | C8 | 112.0° | 108.4° |
| C7 | C6 | H8 | 109.3° | 109.6° |
| C7 | C6 | H7 | 109.3° | 109.6° |
| C6 | C7 | H9 | 108.8° | 109.7° |
| C6 | C7 | H10 | 108.8° | 109.7° |
| C6 | C5 | C4 | 113.1° | 110.7° |
| C6 | C5 | H6 | 108.6° | 109.2° |
| C6 | C5 | H5 | 108.6° | 109.2° |
| C5 | C6 | H8 | 109.3° | 109.6° |
| C5 | C6 | H7 | 109.3° | 109.7° |
| C1 | C2 | C3 | 111.6° | 109.9° |
| C1 | C2 | N1 | 110.1° | 109.9° |
| C1 | C2 | H1 | 110.3° | 109.9° |
| C7 | C8 | C9 | 111.1° | 111.8° |
| C8 | C7 | H9 | 108.9° | 109.7° |
| C8 | C7 | H10 | 108.8° | 109.7° |
| C7 | C8 | H11 | 109.0° | 109.1° |
| C7 | C8 | H12 | 109.1° | 109.1° |
| C8 | C9 | N1 | 112.1° | 112.5° |
| C8 | C9 | C4 | 114.8° | 112.7° |
| C9 | C8 | H11 | 109.1° | 109.1° |
| C9 | C8 | H12 | 109.1° | 108.6° |
| C8 | C9 | H13 | 109.1° | 108.6° |
| C2 | C3 | C4 | 104.2° | 102.7° |
| C3 | C2 | N1 | 103.4° | 107.2° |
| C3 | C2 | H1 | 110.2° | 110.0° |
| C2 | C3 | H2 | 110.8° | 110.8° |
| C2 | C3 | H3 | 110.8° | 110.7° |
| C3 | C4 | C5 | 115.8° | 106.6° |
| C3 | C4 | C9 | 103.8° | 100.5° |
| C4 | C3 | H2 | 110.8° | 110.8° |
| C4 | C3 | H3 | 110.8° | 110.8° |
| C3 | C4 | H4 | 107.0° | 112.8° |
| C2 | N1 | C9 | 113.2° | 108.0° |
| C2 | N1 | C10 | 118.5° | 126.0° |
| N1 | C2 | H1 | 111.0° | 109.9° |
| C5 | C4 | C9 | 115.7° | 111.2° |
| C5 | C4 | H4 | 107.0° | 112.4° |
| C4 | C5 | H6 | 108.5° | 109.2° |
| C4 | C5 | H5 | 108.5° | 109.2° |
| C9 | N1 | C10 | 128.3° | 126.0° |
| N1 | C9 | C4 | 102.2° | 105.6° |
| N1 | C9 | H13 | 109.7° | 107.8° |
| N1 | C10 | O2 | 124.4° | 120.0° |
| N1 | C10 | C11 | 114.7° | 120.0° |
| C9 | C4 | H4 | 106.9° | 112.6° |
| C4 | C9 | H13 | 108.7° | 109.5° |
| O2 | C10 | C11 | 120.4° | 120.0° |
| C10 | C11 | C12 | 118.7° | 117.5° |
| C10 | C11 | C13 | 108.4° | 117.5° |
| C10 | C11 | H14 | 118.5° | 115.5° |
| C11 | C12 | C13 | 61.5° | 60.0° |
| C12 | C11 | C13 | 60.9° | 60.0° |
| C12 | C11 | H14 | 118.6° | 117.5° |
| C11 | C12 | H15 | 119.7° | 117.5° |
| C11 | C12 | H16 | 119.7° | 117.5° |
| C12 | C13 | C11 | 57.6° | 60.0° |
| C12 | C13 | C14 | 123.8° | 117.5° |
| C13 | C12 | H15 | 119.8° | 117.5° |
| C13 | C12 | H16 | 119.8° | 117.4° |
| C12 | C13 | H17 | 112.5° | 117.5° |
| C11 | C13 | C14 | 126.5° | 117.5° |
| C13 | C11 | H14 | 117.4° | 117.5° |
| C11 | C13 | H17 | 112.4° | 117.5° |
| C13 | C14 | C15 | 121.0° | 120.0° |
| C13 | C14 | C19 | 122.3° | 120.0° |
| C14 | C13 | H17 | 113.0° | 115.5° |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C15 | C14 | C19 | 116.7° | 120.0° |
| C14 | C15 | H18 | 120.0° | 120.0° |
| C15 | C16 | C17 | 122.4° | 120.0° |
| C16 | C15 | H18 | 120.0° | 120.0° |
| C15 | C16 | H19 | 118.8° | 120.0° |
| C14 | C19 | C18 | 122.8° | 120.0° |
| C14 | C19 | H22 | 118.6° | 119.9° |
| C16 | C17 | C18 | 118.2° | 120.0° |
| C17 | C16 | H19 | 118.8° | 120.0° |
| C16 | C17 | H20 | 120.9° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.0° |
| C19 | C18 | H21 | 120.2° | 120.0° |
| C18 | C19 | H22 | 118.6° | 120.0° |
| C18 | C17 | H20 | 120.9° | 120.0° |
| C17 | C18 | H21 | 120.1° | 120.0° |
| H2 | C3 | H3 | 109.5° | 110.9° |
| H6 | C5 | H5 | 109.5° | 109.2° |
| H8 | C6 | H7 | 109.5° | 109.7° |
| H9 | C7 | H10 | 109.5° | 109.7° |
| H11 | C8 | H12 | 109.5° | 109.1° |
| H15 | C12 | H16 | 109.5° | 115.6° |
| H24 | C20 | H23 | 109.5° | 109.5° |
| H26 | C21 | H25 | 109.5° | 111.2° |
| H27 | C22 | H28 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C21 | C20 | H26 | 118.9° | 117.5° |
| S1 | C21 | C20 | H25 | 118.8° | 117.7° |
| S1 | C21 | C20 | N2 | 28.1° | 40.4° |
| C21 | S1 | C22 | N2 | 40.9° | 18.9° |
| S1 | C21 | C20 | H24 | 148.5° | 79.6° |
| S1 | C21 | C20 | H23 | 92.3° | 160.4° |
| S1 | C21 | H26 | H25 | 123.4° | 124.8° |
| C21 | S1 | C22 | H27 | 158.7° | 100.1° |
| C21 | S1 | C22 | H28 | 76.9° | 137.7° |
| C20 | C21 | S1 | C22 | 41.6° | 33.4° |
| C21 | C20 | N2 | H24 | 120.4° | 120.0° |
| C21 | C20 | N2 | H23 | 120.4° | 120.0° |
| C21 | C20 | N2 | C1 | 169.6° | 149.2° |
| C21 | C20 | N2 | C22 | 3.2° | 30.5° |
| C21 | C20 | H24 | H23 | 118.8° | 120.0° |
| C20 | C21 | H26 | H25 | 123.3° | 124.9° |
| S1 | C22 | N2 | C20 | 30.5° | 3.6° |
| S1 | C22 | N2 | C1 | 139.1° | 176.0° |
| S1 | C22 | N2 | H27 | 117.8° | 119.0° |
| S1 | C22 | N2 | H28 | 117.7° | 118.8° |
| C22 | S1 | C21 | H26 | 77.2° | 150.8° |
| C22 | S1 | C21 | H25 | 160.4° | 84.5° |
| S1 | C22 | H27 | H28 | 126.2° | 122.1° |
| C20 | N2 | C1 | O1 | 14.6° | 5.3° |
| C20 | N2 | C1 | C22 | 170.0° | 179.6° |
| C20 | N2 | C1 | C2 | 165.2° | 175.0° |
| N2 | C20 | H24 | H23 | 118.7° | 120.0° |
| N2 | C20 | C21 | H26 | 90.8° | 157.9° |
| N2 | C20 | C21 | H25 | 146.9° | 77.4° |
| C20 | N2 | C22 | H27 | 148.3° | 122.6° |
| C20 | N2 | C22 | H28 | 87.2° | 115.2° |
| O1 | C1 | N2 | C2 | 179.7° | 179.6° |
| O1 | C1 | N2 | C22 | 155.4° | 175.1° |
| O1 | C1 | C2 | C3 | 88.8° | 105.5° |
| O1 | C1 | C2 | N1 | 25.4° | 12.2° |
| O1 | C1 | C2 | H1 | 148.3° | 133.3° |
| N2 | C1 | C2 | C3 | 91.4° | 74.1° |
| N2 | C1 | C2 | N1 | 154.4° | 168.2° |
| N2 | C1 | C2 | H1 | 31.5° | 47.1° |
| C1 | N2 | C20 | H24 | 69.9° | 90.8° |
| C1 | N2 | C20 | H23 | 49.2° | 29.2° |
| C1 | N2 | C22 | H27 | 21.3° | 57.0° |
| C1 | N2 | C22 | H28 | 103.2° | 65.2° |
| C22 | N2 | C1 | C2 | 24.8° | 4.6° |
| C22 | N2 | C20 | H24 | 117.3° | 89.6° |
| C22 | N2 | C20 | H23 | 123.6° | 150.5° |
| N2 | C22 | H27 | H28 | 126.2° | 122.2° |
| C7 | C6 | C5 | H8 | 120.1° | 119.8° |
| C7 | C6 | C5 | H7 | 120.1° | 119.7° |
| C6 | C7 | C8 | H9 | 120.4° | 119.7° |
| C6 | C7 | C8 | H10 | 120.4° | 119.8° |
| C6 | C7 | C8 | C9 | 57.0° | 58.9° |
| C7 | C6 | C5 | C4 | 53.0° | 61.9° |
| C7 | C6 | C5 | H6 | 67.5° | 58.4° |
| C7 | C6 | C5 | H5 | 173.5° | 177.7° |
| C7 | C6 | H8 | H7 | 119.7° | 120.3° |
| C6 | C7 | H9 | H10 | 118.8° | 120.5° |
| C6 | C7 | C8 | H11 | 63.3° | 179.6° |
| C6 | C7 | C8 | H12 | 177.2° | 61.2° |
| C5 | C6 | C7 | C8 | 61.0° | 63.2° |
| C6 | C5 | C4 | C3 | 79.2° | 163.1° |
| C6 | C5 | C4 | H6 | 120.5° | 120.3° |
| C6 | C5 | C4 | H5 | 120.5° | 120.3° |
| C6 | C5 | C4 | C9 | 42.7° | 54.5° |
| C6 | C5 | C4 | H4 | 161.6° | 72.8° |
| C6 | C5 | H6 | H5 | 118.4° | 119.3° |
| C5 | C6 | H8 | H7 | 119.7° | 120.5° |
| C5 | C6 | C7 | H9 | 178.6° | 56.6° |
| C5 | C6 | C7 | H10 | 59.4° | 177.1° |
| C1 | C2 | C3 | N1 | 118.3° | 119.4° |
| C1 | C2 | C3 | H1 | 123.0° | 121.1° |
| C1 | C2 | C3 | C4 | 143.9° | 96.6° |
| C1 | C2 | N1 | H1 | 122.5° | 121.1° |
| C1 | C2 | N1 | C9 | 124.5° | 120.8° |
| C1 | C2 | N1 | C10 | 56.8° | 59.1° |
| C1 | C2 | C3 | H2 | 24.8° | 21.6° |
| C1 | C2 | C3 | H3 | 96.9° | 145.1° |
| C7 | C8 | C9 | H11 | 120.2° | 120.8° |
| C7 | C8 | C9 | H12 | 120.3° | 120.4° |
| C7 | C8 | C9 | N1 | 160.9° | 66.9° |
| C7 | C8 | C9 | C4 | 45.0° | 52.4° |
| C8 | C7 | C6 | H8 | 178.9° | 177.0° |
| C8 | C7 | C6 | H7 | 59.1° | 56.6° |
| C8 | C7 | H9 | H10 | 118.9° | 120.5° |
| C7 | C8 | H11 | H12 | 119.3° | 119.1° |
| C7 | C8 | C9 | H13 | 77.4° | 173.9° |
| C8 | C9 | C4 | C3 | 89.0° | 162.1° |
| C8 | C9 | N1 | C2 | 106.2° | 149.1° |
| C8 | C9 | C4 | C5 | 39.1° | 49.6° |
| C8 | C9 | N1 | C4 | 123.4° | 123.4° |
| C8 | C9 | N1 | H13 | 121.4° | 119.7° |
| C8 | C9 | N1 | C10 | 75.3° | 30.8° |
| C8 | C9 | C4 | H13 | 122.5° | 121.0° |
| C8 | C9 | C4 | H4 | 158.1° | 77.6° |
| C9 | C8 | C7 | H9 | 177.3° | 60.9° |
| C9 | C8 | C7 | H10 | 63.4° | 178.6° |
| C9 | C8 | H11 | H12 | 119.3° | 118.5° |
| C2 | C3 | C4 | H2 | 119.1° | 118.3° |
| C2 | C3 | C4 | H3 | 119.2° | 118.2° |
| C3 | C2 | N1 | H1 | 118.2° | 119.6° |
| C2 | C3 | C4 | C5 | 164.6° | 79.4° |
| C3 | C2 | N1 | C9 | 5.2° | 1.5° |
| C3 | C2 | N1 | C10 | 176.2° | 178.4° |
| C2 | C3 | C4 | C9 | 36.5° | 36.6° |
| C2 | C3 | H2 | H3 | 122.5° | 123.4° |
| C2 | C3 | C4 | H4 | 76.3° | 156.8° |
| C4 | C3 | C2 | N1 | 25.6° | 22.7° |
| C3 | C4 | C5 | C9 | 121.9° | 108.7° |
| C3 | C4 | C5 | H4 | 119.1° | 124.1° |
| C3 | C4 | C9 | N1 | 32.5° | 38.9° |
| C3 | C4 | C9 | H4 | 112.9° | 120.3° |
| C4 | C3 | C2 | H1 | 93.1° | 142.3° |
| C4 | C3 | H2 | H3 | 122.5° | 123.4° |
| C3 | C4 | C5 | H6 | 160.2° | 42.9° |
| C3 | C4 | C5 | H5 | 41.3° | 76.6° |
| C3 | C4 | C9 | H13 | 148.4° | 76.9° |
| C2 | N1 | C9 | C10 | 178.5° | 179.9° |
| C2 | N1 | C9 | C4 | 17.2° | 25.8° |
| C2 | N1 | C10 | O2 | 9.1° | 179.9° |
| C2 | N1 | C10 | C11 | 178.6° | 0.0° |
| N1 | C2 | C3 | H2 | 93.5° | 141.0° |
| N1 | C2 | C3 | H3 | 144.8° | 95.5° |
| C2 | N1 | C9 | H13 | 132.4° | 91.2° |
| C5 | C4 | C9 | N1 | 160.6° | 73.7° |
| C5 | C4 | C9 | H4 | 119.0° | 127.2° |
| C5 | C4 | C3 | H2 | 45.4° | 38.9° |
| C5 | C4 | C3 | H3 | 76.3° | 162.3° |
| C4 | C5 | H6 | H5 | 118.3° | 119.5° |
| C4 | C5 | C6 | H8 | 173.1° | 178.3° |
| C4 | C5 | C6 | H7 | 67.1° | 57.8° |
| C5 | C4 | C9 | H13 | 83.5° | 170.5° |
| N1 | C9 | C4 | H13 | 115.9° | 115.8° |
| C9 | N1 | C10 | O2 | 169.3° | 0.1° |
| C9 | N1 | C10 | C11 | 3.0° | 179.9° |
| C9 | N1 | C2 | H1 | 113.0° | 118.1° |
| N1 | C9 | C4 | H4 | 80.3° | 159.2° |
| N1 | C9 | C8 | H11 | 40.7° | 53.9° |
| N1 | C9 | C8 | H12 | 78.8° | 172.7° |
| C10 | N1 | C9 | C4 | 161.3° | 154.1° |
| N1 | C10 | O2 | C11 | 171.8° | 179.9° |
| N1 | C10 | C11 | C12 | 162.5° | 111.3° |
| N1 | C10 | C11 | C13 | 131.3° | 180.0° |
| C10 | N1 | C2 | H1 | 65.6° | 62.0° |
| C10 | N1 | C9 | H13 | 46.1° | 88.9° |
| N1 | C10 | C11 | H14 | 5.8° | 34.4° |
| C9 | C4 | C3 | H2 | 82.6° | 154.9° |
| C9 | C4 | C3 | H3 | 155.7° | 81.6° |
| C9 | C4 | C5 | H6 | 77.9° | 65.8° |
| C9 | C4 | C5 | H5 | 163.2° | 174.7° |
| C4 | C9 | C8 | H11 | 75.2° | 173.2° |
| C4 | C9 | C8 | H12 | 165.2° | 68.0° |
| O2 | C10 | C11 | C12 | 24.9° | 68.6° |
| O2 | C10 | C11 | C13 | 41.3° | 0.1° |
| O2 | C10 | C11 | H14 | 178.3° | 145.7° |
| C10 | C11 | C12 | C13 | 96.1° | 107.5° |
| C10 | C11 | C12 | H14 | 156.7° | 145.0° |
| C10 | C11 | C13 | H14 | 137.6° | 145.0° |
| C10 | C11 | C13 | C14 | 136.3° | 145.0° |
| C10 | C11 | C12 | H15 | 13.8° | 0.1° |
| C10 | C11 | C12 | H16 | 154.0° | 145.1° |
| C10 | C11 | C13 | H17 | 9.9° | 0.0° |
| C11 | C12 | C13 | H15 | 109.9° | 107.5° |
| C11 | C12 | C13 | H16 | 109.8° | 107.5° |
| C12 | C11 | C13 | H14 | 109.2° | 107.5° |
| C11 | C12 | C13 | C14 | 115.0° | 107.5° |
| C11 | C12 | H15 | H16 | 143.9° | 145.7° |
| C11 | C12 | C13 | H17 | 103.0° | 107.5° |
| C12 | C13 | C14 | H17 | 141.8° | 145.7° |
| C12 | C13 | C14 | C15 | 4.3° | 9.0° |
| C12 | C13 | C14 | C19 | 176.4° | 171.4° |
| C13 | C12 | H15 | H16 | 144.0° | 145.7° |
| C11 | C13 | C14 | H17 | 146.1° | 145.7° |
| C11 | C13 | C14 | C15 | 67.9° | 59.7° |
| C11 | C13 | C14 | C19 | 111.4° | 120.0° |
| C13 | C14 | C15 | C19 | 179.3° | 179.7° |
| C13 | C14 | C15 | C16 | 175.7° | 180.0° |
| C13 | C14 | C19 | C18 | 178.4° | 179.8° |
| C14 | C13 | C11 | H14 | 1.2° | 0.0° |
| C14 | C13 | C12 | H15 | 135.1° | 145.0° |
| C14 | C13 | C12 | H16 | 5.2° | 0.0° |
| C13 | C14 | C15 | H18 | 4.3° | 0.1° |
| C13 | C14 | C19 | H22 | 1.6° | 0.1° |
| C14 | C15 | C16 | H18 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 2.9° | 0.1° |
| C15 | C14 | C19 | C18 | 2.3° | 0.6° |
| C15 | C14 | C13 | H17 | 146.1° | 154.6° |
| C14 | C15 | C16 | H19 | 177.2° | 179.9° |
| C15 | C14 | C19 | H22 | 177.8° | 179.7° |
| C16 | C15 | C14 | C19 | 4.9° | 0.3° |
| C15 | C16 | C17 | H19 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 2.2° | NaN° |
| C15 | C16 | C17 | H20 | 177.8° | 180.0° |
| C14 | C19 | C18 | H22 | 180.0° | 179.7° |
| C14 | C19 | C18 | C17 | 2.7° | 0.5° |
| C19 | C14 | C13 | H17 | 34.6° | 25.7° |
| C19 | C14 | C15 | H18 | 175.1° | 179.7° |
| C14 | C19 | C18 | H21 | 177.2° | 179.7° |
| C16 | C17 | C18 | C19 | 4.9° | 0.2° |
| C16 | C17 | C18 | H20 | 180.0° | 180.0° |
| C17 | C16 | C15 | H18 | 177.1° | 180.0° |
| C16 | C17 | C18 | H21 | 175.1° | 180.0° |
| C19 | C18 | C17 | H21 | 180.0° | 179.8° |
| C19 | C18 | C17 | H20 | 175.1° | 179.8° |
| C18 | C17 | C16 | H19 | 177.8° | 180.0° |
| C17 | C18 | C19 | H22 | 177.2° | 179.8° |
| H1 | C2 | C3 | H2 | 147.7° | 99.5° |
| H1 | C2 | C3 | H3 | 26.0° | 24.0° |
| H2 | C3 | C4 | H4 | 164.6° | 84.9° |
| H3 | C3 | C4 | H4 | 42.9° | 38.5° |
| H4 | C4 | C5 | H6 | 41.1° | 166.9° |
| H4 | C4 | C5 | H5 | 77.8° | 47.5° |
| H4 | C4 | C9 | H13 | 35.6° | 43.4° |
| H6 | C5 | C6 | H8 | 52.6° | 61.4° |
| H6 | C5 | C6 | H7 | 172.4° | 178.1° |
| H5 | C5 | C6 | H8 | 66.3° | 58.0° |
| H5 | C5 | C6 | H7 | 53.4° | 62.5° |
| H8 | C6 | C7 | H9 | 58.5° | 63.2° |
| H8 | C6 | C7 | H10 | 60.7° | 57.3° |
| H7 | C6 | C7 | H9 | 61.3° | 176.4° |
| H7 | C6 | C7 | H10 | 179.4° | 63.2° |
| H9 | C7 | C8 | H11 | 57.1° | 59.9° |
| H9 | C7 | C8 | H12 | 62.4° | 179.0° |
| H10 | C7 | C8 | H11 | 176.4° | 60.6° |
| H10 | C7 | C8 | H12 | 56.9° | 58.6° |
| H11 | C8 | C9 | H13 | 162.4° | 65.3° |
| H12 | C8 | C9 | H13 | 42.9° | 53.5° |
| H14 | C11 | C12 | H15 | 142.9° | 145.1° |
| H14 | C11 | C12 | H16 | 2.6° | 0.1° |
| H14 | C11 | C13 | H17 | 147.5° | 145.0° |
| H15 | C12 | C13 | H17 | 6.8° | 0.0° |
| H16 | C12 | C13 | H17 | 147.1° | 145.0° |
| H18 | C15 | C16 | H19 | 2.8° | 0.0° |
| H19 | C16 | C17 | H20 | 2.2° | 0.0° |
| H20 | C17 | C18 | H21 | 4.9° | 0.0° |
| H21 | C18 | C19 | H22 | 2.8° | 0.0° |
| H24 | C20 | C21 | H26 | 29.6° | 37.9° |
| H24 | C20 | C21 | H25 | 92.7° | 162.6° |
| H23 | C20 | C21 | H26 | 148.8° | 82.1° |
| H23 | C20 | C21 | H25 | 26.5° | 42.7° |
