3SN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F16 | C14 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | N4 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| N7 | C10 | sing | 1.40Å | 1.41Å | |
| N7 | C8 | sing | 1.47Å | 1.48Å | |
| N7 | C6 | sing | 1.47Å | 1.48Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | N4 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | N18 | sing | 1.47Å | 1.48Å | |
| N4 | C2 | sing | 1.35Å | 1.36Å | |
| C31 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | O3 | doub | 1.21Å | 1.21Å | |
| O24 | S23 | doub | 1.42Å | 1.42Å | |
| N18 | S23 | sing | 1.66Å | 1.68Å | |
| N18 | C19 | sing | 1.46Å | 1.49Å | |
| C26 | S23 | sing | 1.76Å | 1.76Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| S23 | O25 | doub | 1.42Å | 1.42Å | |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C19 | sing | 1.54Å | 1.54Å | |
| C22 | C21 | sing | 1.54Å | 1.54Å | |
| C20 | C19 | sing | 1.54Å | 1.54Å | |
| C20 | C21 | sing | 1.54Å | 1.54Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F16 | C14 | C15 | 118.8° | 120.0° |
| F16 | C14 | C13 | 120.5° | 120.0° |
| C8 | C9 | N4 | 107.7° | 108.5° |
| C9 | C8 | N7 | 109.3° | 109.3° |
| C9 | C8 | H6 | 109.5° | 109.5° |
| C9 | C8 | H7 | 109.5° | 109.5° |
| C8 | C9 | H8 | 109.9° | 109.7° |
| C8 | C9 | H9 | 109.9° | 109.6° |
| C9 | N4 | C5 | 117.2° | 118.3° |
| C9 | N4 | C2 | 121.4° | 120.9° |
| N4 | C9 | H8 | 109.9° | 109.6° |
| N4 | C9 | H9 | 109.9° | 109.6° |
| C14 | C15 | C10 | 120.3° | 119.9° |
| C15 | C14 | C13 | 120.7° | 120.0° |
| C14 | C15 | H14 | 119.9° | 120.0° |
| C15 | C10 | N7 | 120.3° | 120.1° |
| C15 | C10 | C11 | 118.7° | 119.9° |
| C10 | C15 | H14 | 119.9° | 120.0° |
| C10 | N7 | C8 | 112.5° | 111.0° |
| C10 | N7 | C6 | 113.4° | 111.0° |
| N7 | C10 | C11 | 121.0° | 120.1° |
| C8 | N7 | C6 | 111.6° | 111.3° |
| N7 | C8 | H6 | 109.5° | 109.5° |
| N7 | C8 | H7 | 109.5° | 109.5° |
| N7 | C6 | C5 | 109.6° | 109.4° |
| N7 | C6 | H3 | 109.4° | 109.5° |
| N7 | C6 | H4 | 109.4° | 109.5° |
| C14 | C13 | C17 | 120.7° | 119.9° |
| C14 | C13 | C12 | 119.2° | 120.1° |
| C10 | C11 | C12 | 120.9° | 120.0° |
| C10 | C11 | H5 | 119.6° | 120.0° |
| C17 | C13 | C12 | 120.1° | 119.9° |
| C13 | C17 | N18 | 113.4° | 109.4° |
| C13 | C17 | H15 | 108.5° | 109.5° |
| C13 | C17 | H16 | 108.5° | 109.5° |
| C13 | C12 | C11 | 120.3° | 120.1° |
| C13 | C12 | H10 | 119.9° | 120.0° |
| C12 | C11 | H5 | 119.6° | 120.0° |
| C11 | C12 | H10 | 119.9° | 119.9° |
| N4 | C5 | C6 | 108.3° | 108.5° |
| C5 | N4 | C2 | 121.4° | 120.8° |
| N4 | C5 | H1 | 109.7° | 109.6° |
| N4 | C5 | H2 | 109.8° | 109.6° |
| C6 | C5 | H1 | 109.8° | 109.6° |
| C6 | C5 | H2 | 109.8° | 109.7° |
| C5 | C6 | H3 | 109.4° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C31 | C30 | C29 | 119.7° | 120.0° |
| C30 | C31 | C26 | 119.8° | 120.0° |
| C31 | C30 | H27 | 120.1° | 120.0° |
| C30 | C31 | H28 | 120.1° | 120.0° |
| C30 | C29 | C28 | 120.6° | 120.0° |
| C30 | C29 | H26 | 119.7° | 120.0° |
| C29 | C30 | H27 | 120.2° | 120.0° |
| C17 | N18 | S23 | 120.4° | 120.0° |
| C17 | N18 | C19 | 122.9° | 120.0° |
| N18 | C17 | H15 | 108.5° | 109.5° |
| N18 | C17 | H16 | 108.5° | 109.5° |
| N4 | C2 | C1 | 121.3° | 120.0° |
| N4 | C2 | O3 | 119.9° | 120.0° |
| C31 | C26 | S23 | 120.1° | 120.0° |
| C31 | C26 | C27 | 120.1° | 120.0° |
| C26 | C31 | H28 | 120.1° | 120.0° |
| C29 | C28 | C27 | 119.6° | 120.0° |
| C29 | C28 | H25 | 120.2° | 120.0° |
| C28 | C29 | H26 | 119.7° | 120.0° |
| C1 | C2 | O3 | 118.8° | 120.0° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| O24 | S23 | N18 | 109.0° | 106.4° |
| O24 | S23 | C26 | 106.2° | 106.4° |
| O24 | S23 | O25 | 120.9° | 123.1° |
| S23 | N18 | C19 | 116.7° | 120.0° |
| N18 | S23 | C26 | 106.2° | 107.2° |
| N18 | S23 | O25 | 108.2° | 106.4° |
| N18 | C19 | C22 | 115.1° | 113.6° |
| N18 | C19 | C20 | 120.1° | 113.6° |
| N18 | C19 | H17 | 111.7° | 112.9° |
| S23 | C26 | C27 | 119.8° | 120.0° |
| C26 | S23 | O25 | 105.4° | 106.4° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C26 | C27 | H24 | 119.9° | 120.0° |
| C28 | C27 | H24 | 119.9° | 120.0° |
| C27 | C28 | H25 | 120.2° | 120.0° |
| C19 | C22 | C21 | 86.4° | 87.1° |
| C22 | C19 | C20 | 85.8° | 87.1° |
| C22 | C19 | H17 | 110.8° | 113.6° |
| C19 | C22 | H22 | 114.9° | 113.6° |
| C19 | C22 | H23 | 114.9° | 113.6° |
| C22 | C21 | C20 | 86.1° | 87.1° |
| C22 | C21 | H20 | 115.0° | 113.6° |
| C22 | C21 | H21 | 115.0° | 113.7° |
| C21 | C22 | H22 | 114.9° | 113.7° |
| C21 | C22 | H23 | 114.9° | 113.6° |
| C19 | C20 | C21 | 86.3° | 87.1° |
| C20 | C19 | H17 | 110.8° | 113.6° |
| C19 | C20 | H18 | 114.9° | 113.6° |
| C19 | C20 | H19 | 114.9° | 113.6° |
| C21 | C20 | H18 | 114.9° | 113.6° |
| C21 | C20 | H19 | 114.9° | 113.7° |
| C20 | C21 | H20 | 115.0° | 113.6° |
| C20 | C21 | H21 | 114.9° | 113.6° |
| H1 | C5 | H2 | 109.4° | 109.8° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.8° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 112.9° |
| H20 | C21 | H21 | 109.4° | 112.9° |
| H22 | C22 | H23 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F16 | C14 | C15 | C13 | 179.4° | 179.7° |
| F16 | C14 | C15 | C10 | 179.7° | 179.7° |
| F16 | C14 | C13 | C17 | 0.1° | 0.3° |
| F16 | C14 | C13 | C12 | 179.8° | 179.8° |
| F16 | C14 | C15 | H14 | 0.3° | 0.3° |
| C8 | C9 | N4 | H8 | 119.7° | 119.7° |
| C8 | C9 | N4 | H9 | 119.8° | 119.7° |
| C9 | C8 | N7 | C10 | 168.7° | 172.8° |
| C9 | C8 | N7 | H6 | 119.9° | 119.9° |
| C9 | C8 | N7 | H7 | 120.0° | 120.0° |
| C9 | C8 | N7 | C6 | 62.5° | 63.1° |
| C8 | C9 | N4 | C5 | 54.5° | 51.2° |
| C8 | C9 | N4 | C2 | 125.0° | 128.8° |
| C9 | C8 | H6 | H7 | 120.1° | 120.0° |
| C8 | C9 | H8 | H9 | 120.8° | 120.5° |
| N4 | C9 | C8 | N7 | 55.7° | 53.8° |
| C9 | N4 | C5 | C2 | 179.5° | 180.0° |
| C9 | N4 | C5 | C6 | 53.8° | 51.2° |
| C9 | N4 | C2 | C1 | 0.3° | 0.0° |
| C9 | N4 | C2 | O3 | 179.9° | 180.0° |
| C9 | N4 | C5 | H1 | 173.6° | 68.5° |
| C9 | N4 | C5 | H2 | 66.1° | 170.9° |
| N4 | C9 | C8 | H6 | 175.6° | 173.8° |
| N4 | C9 | C8 | H7 | 64.3° | 66.2° |
| N4 | C9 | H8 | H9 | 120.8° | 120.5° |
| C14 | C15 | C10 | H14 | 180.0° | 180.0° |
| C14 | C15 | C10 | N7 | 179.8° | 179.9° |
| C14 | C15 | C10 | C11 | 0.0° | 0.0° |
| C15 | C14 | C13 | C17 | 179.5° | 180.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.1° |
| C15 | C10 | N7 | C11 | 179.8° | 180.0° |
| C15 | C10 | N7 | C8 | 174.5° | 0.0° |
| C15 | C10 | N7 | C6 | 46.7° | 124.3° |
| C10 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C10 | C11 | C12 | 0.2° | 0.1° |
| C15 | C10 | C11 | H5 | 179.8° | 180.0° |
| C10 | N7 | C8 | C6 | 128.8° | 124.1° |
| N7 | C10 | C11 | C12 | 180.0° | 179.9° |
| C10 | N7 | C6 | C5 | 170.2° | 172.7° |
| C10 | N7 | C6 | H3 | 50.2° | 67.3° |
| C10 | N7 | C6 | H4 | 69.8° | 52.8° |
| N7 | C10 | C11 | H5 | 0.0° | 0.1° |
| C10 | N7 | C8 | H6 | 48.7° | 52.8° |
| C10 | N7 | C8 | H7 | 71.3° | 67.3° |
| N7 | C10 | C15 | H14 | 0.2° | 0.0° |
| C8 | N7 | C10 | C11 | 5.7° | 180.0° |
| C8 | N7 | C6 | C5 | 61.4° | 63.1° |
| C8 | N7 | C6 | H3 | 178.5° | 56.8° |
| C8 | N7 | C6 | H4 | 58.6° | 176.9° |
| N7 | C8 | H6 | H7 | 120.1° | 120.1° |
| N7 | C8 | C9 | H8 | 175.4° | 173.6° |
| N7 | C8 | C9 | H9 | 64.1° | 65.9° |
| C6 | N7 | C10 | C11 | 133.5° | 55.7° |
| N7 | C6 | C5 | N4 | 53.8° | 53.8° |
| N7 | C6 | C5 | H3 | 120.0° | 120.0° |
| N7 | C6 | C5 | H4 | 120.0° | 120.0° |
| N7 | C6 | C5 | H1 | 173.6° | 65.9° |
| N7 | C6 | C5 | H2 | 66.0° | 173.5° |
| N7 | C6 | H3 | H4 | 119.9° | 120.1° |
| C6 | N7 | C8 | H6 | 177.6° | 177.0° |
| C6 | N7 | C8 | H7 | 57.5° | 56.8° |
| C14 | C13 | C17 | C12 | 179.9° | 179.9° |
| C14 | C13 | C12 | C11 | 0.2° | 0.1° |
| C14 | C13 | C17 | N18 | 109.4° | 73.4° |
| C14 | C13 | C12 | H10 | 179.8° | 180.0° |
| C13 | C14 | C15 | H14 | 179.8° | 180.0° |
| C14 | C13 | C17 | H15 | 11.2° | 166.6° |
| C14 | C13 | C17 | H16 | 130.0° | 46.6° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C10 | C11 | C12 | H10 | 179.9° | 180.0° |
| C11 | C10 | C15 | H14 | 179.9° | 180.0° |
| C17 | C13 | C12 | C11 | 179.7° | 180.0° |
| C13 | C17 | N18 | H15 | 120.6° | 120.0° |
| C13 | C17 | N18 | H16 | 120.6° | 120.0° |
| C13 | C17 | N18 | S23 | 102.9° | 66.6° |
| C13 | C17 | N18 | C19 | 78.8° | 113.4° |
| C17 | C13 | C12 | H10 | 0.3° | 0.1° |
| C13 | C17 | H15 | H16 | 118.2° | 120.0° |
| C13 | C12 | C11 | H10 | 180.0° | 179.8° |
| C12 | C13 | C17 | N18 | 70.5° | 106.7° |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C12 | C13 | C17 | H15 | 168.9° | 13.3° |
| C12 | C13 | C17 | H16 | 50.1° | 133.3° |
| N4 | C5 | C6 | H1 | 119.8° | 119.7° |
| N4 | C5 | C6 | H2 | 119.8° | 119.7° |
| C5 | N4 | C2 | C1 | 179.7° | 180.0° |
| C5 | N4 | C2 | O3 | 0.5° | 0.0° |
| N4 | C5 | H1 | H2 | 120.5° | 120.5° |
| N4 | C5 | C6 | H3 | 173.8° | 66.2° |
| N4 | C5 | C6 | H4 | 66.2° | 173.8° |
| C5 | N4 | C9 | H8 | 174.2° | 170.9° |
| C5 | N4 | C9 | H9 | 65.2° | 68.5° |
| C6 | C5 | N4 | C2 | 125.7° | 128.8° |
| C6 | C5 | H1 | H2 | 120.5° | 120.5° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C31 | C30 | C29 | H27 | 180.0° | 179.5° |
| C30 | C31 | C26 | H28 | 180.0° | 179.5° |
| C31 | C30 | C29 | C28 | 0.0° | 0.2° |
| C30 | C31 | C26 | S23 | 179.7° | 179.7° |
| C30 | C31 | C26 | C27 | 0.2° | 0.5° |
| C31 | C30 | C29 | H26 | 180.0° | 179.7° |
| C29 | C30 | C31 | C26 | 0.2° | 0.5° |
| C30 | C29 | C28 | H26 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C30 | C29 | C28 | H25 | 179.9° | 180.0° |
| C29 | C30 | C31 | H28 | 179.8° | 180.0° |
| C17 | N18 | S23 | O24 | 28.0° | 156.5° |
| C17 | N18 | S23 | C19 | 178.4° | 179.9° |
| C17 | N18 | S23 | C26 | 85.9° | 89.9° |
| C17 | N18 | S23 | O25 | 161.3° | 23.6° |
| C17 | N18 | C19 | C22 | 75.8° | 30.7° |
| C17 | N18 | C19 | C20 | 24.4° | 66.9° |
| N18 | C17 | H15 | H16 | 118.2° | 120.0° |
| C17 | N18 | C19 | H17 | 156.7° | 161.9° |
| N4 | C2 | C1 | O3 | 179.8° | 180.0° |
| C2 | N4 | C5 | H1 | 5.9° | 111.5° |
| C2 | N4 | C5 | H2 | 114.5° | 9.1° |
| C2 | N4 | C9 | H8 | 5.3° | 9.1° |
| C2 | N4 | C9 | H9 | 115.3° | 111.5° |
| N4 | C2 | C1 | H11 | 179.8° | 180.0° |
| N4 | C2 | C1 | H12 | 60.2° | 60.0° |
| N4 | C2 | C1 | H13 | 59.8° | 60.0° |
| C31 | C26 | S23 | O24 | 11.3° | 156.2° |
| C31 | C26 | S23 | N18 | 104.6° | 90.2° |
| C31 | C26 | S23 | C27 | 179.9° | 179.7° |
| C31 | C26 | S23 | O25 | 140.7° | 23.3° |
| C31 | C26 | C27 | C28 | 0.1° | 0.3° |
| C31 | C26 | C27 | H24 | 180.0° | 179.8° |
| C26 | C31 | C30 | H27 | 179.8° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H25 | 180.0° | 179.9° |
| C29 | C28 | C27 | H24 | 179.9° | 179.9° |
| C28 | C29 | C30 | H27 | 180.0° | 179.7° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| O3 | C2 | C1 | H11 | 0.0° | 0.0° |
| O3 | C2 | C1 | H12 | 120.0° | 120.0° |
| O3 | C2 | C1 | H13 | 120.0° | 120.0° |
| O24 | S23 | N18 | C26 | 114.0° | 113.6° |
| O24 | S23 | N18 | O25 | 133.2° | 132.9° |
| O24 | S23 | N18 | C19 | 153.5° | 23.6° |
| O24 | S23 | C26 | O25 | 129.4° | 132.9° |
| O24 | S23 | C26 | C27 | 168.8° | 23.6° |
| N18 | S23 | C26 | O25 | 114.7° | 113.5° |
| N18 | S23 | C26 | C27 | 75.3° | 90.0° |
| S23 | N18 | C19 | C22 | 102.5° | 149.4° |
| S23 | N18 | C19 | C20 | 157.2° | 113.0° |
| S23 | N18 | C17 | H15 | 136.5° | 53.3° |
| S23 | N18 | C17 | H16 | 17.7° | 173.4° |
| S23 | N18 | C19 | H17 | 24.9° | 18.1° |
| C19 | N18 | S23 | C26 | 92.5° | 90.0° |
| C19 | N18 | S23 | O25 | 20.3° | 156.5° |
| N18 | C19 | C22 | C20 | 121.4° | 114.6° |
| N18 | C19 | C22 | H17 | 127.9° | 130.9° |
| N18 | C19 | C22 | C21 | 150.4° | 140.0° |
| N18 | C19 | C20 | H17 | 132.6° | 130.8° |
| N18 | C19 | C20 | C21 | 145.7° | 140.0° |
| C19 | N18 | C17 | H15 | 41.8° | 126.6° |
| C19 | N18 | C17 | H16 | 160.6° | 6.6° |
| N18 | C19 | C20 | H18 | 98.5° | 105.5° |
| N18 | C19 | C20 | H19 | 29.8° | 25.4° |
| N18 | C19 | C22 | H22 | 34.6° | 25.4° |
| N18 | C19 | C22 | H23 | 93.7° | 105.5° |
| S23 | C26 | C27 | C28 | 179.8° | 180.0° |
| S23 | C26 | C27 | H24 | 0.2° | 0.0° |
| S23 | C26 | C31 | H28 | 0.3° | 0.2° |
| C27 | C26 | S23 | O25 | 39.4° | 156.5° |
| C26 | C27 | C28 | H24 | 180.0° | 180.0° |
| C26 | C27 | C28 | H25 | 179.9° | 180.0° |
| C27 | C26 | C31 | H28 | 179.8° | 180.0° |
| C27 | C28 | C29 | H26 | 179.9° | 180.0° |
| C19 | C22 | C21 | H22 | 115.8° | 114.6° |
| C19 | C22 | C21 | H23 | 115.8° | 114.5° |
| C22 | C19 | C20 | H17 | 110.7° | 114.6° |
| C19 | C22 | C21 | C20 | 29.1° | 25.4° |
| C22 | C19 | C20 | H18 | 144.8° | 139.9° |
| C22 | C19 | C20 | H19 | 86.8° | 89.2° |
| C19 | C22 | C21 | H20 | 144.9° | 89.1° |
| C19 | C22 | C21 | H21 | 86.7° | 139.9° |
| C19 | C22 | H22 | H23 | 131.0° | 131.2° |
| C22 | C21 | C20 | H20 | 115.8° | 114.5° |
| C22 | C21 | C20 | H21 | 115.8° | 114.7° |
| C21 | C22 | C19 | H17 | 81.7° | 89.1° |
| C22 | C21 | C20 | H18 | 144.8° | 139.9° |
| C22 | C21 | C20 | H19 | 86.8° | 89.2° |
| C22 | C21 | H20 | H21 | 131.2° | 131.4° |
| C21 | C22 | H22 | H23 | 131.0° | 131.3° |
| C19 | C20 | C21 | H18 | 115.8° | 114.5° |
| C19 | C20 | C21 | H19 | 115.8° | 114.6° |
| C19 | C20 | H18 | H19 | 131.1° | 131.2° |
| C19 | C20 | C21 | H20 | 144.8° | 89.1° |
| C19 | C20 | C21 | H21 | 86.7° | 140.1° |
| C20 | C19 | C22 | H22 | 86.8° | 89.2° |
| C20 | C19 | C22 | H23 | 144.9° | 139.9° |
| C21 | C20 | C19 | H17 | 81.7° | 89.2° |
| C21 | C20 | H18 | H19 | 131.1° | 131.3° |
| C20 | C21 | H20 | H21 | 131.1° | 131.2° |
| C20 | C21 | C22 | H22 | 86.7° | 89.2° |
| C20 | C21 | C22 | H23 | 144.9° | 139.9° |
| H1 | C5 | C6 | H3 | 66.4° | 174.2° |
| H1 | C5 | C6 | H4 | 53.6° | 54.1° |
| H2 | C5 | C6 | H3 | 54.0° | 53.6° |
| H2 | C5 | C6 | H4 | 174.0° | 66.5° |
| H5 | C11 | C12 | H10 | 0.1° | 0.1° |
| H6 | C8 | C9 | H8 | 64.6° | 66.5° |
| H6 | C8 | C9 | H9 | 55.9° | 54.1° |
| H7 | C8 | C9 | H8 | 55.4° | 53.6° |
| H7 | C8 | C9 | H9 | 176.0° | 174.1° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H17 | C19 | C20 | H18 | 34.1° | 25.4° |
| H17 | C19 | C20 | H19 | 162.5° | 156.2° |
| H17 | C19 | C22 | H22 | 162.5° | 156.3° |
| H17 | C19 | C22 | H23 | 34.1° | 25.4° |
| H18 | C20 | C21 | H20 | 99.4° | 25.4° |
| H18 | C20 | C21 | H21 | 29.0° | 105.4° |
| H19 | C20 | C21 | H20 | 29.0° | 156.3° |
| H19 | C20 | C21 | H21 | 157.4° | 25.5° |
| H20 | C21 | C22 | H22 | 29.1° | 156.3° |
| H20 | C21 | C22 | H23 | 99.3° | 25.3° |
| H21 | C21 | C22 | H22 | 157.5° | 25.4° |
| H21 | C21 | C22 | H23 | 29.2° | 105.6° |
| H24 | C27 | C28 | H25 | 0.1° | 0.0° |
| H25 | C28 | C29 | H26 | 0.1° | 0.1° |
| H26 | C29 | C30 | H27 | 0.0° | 0.3° |
| H27 | C30 | C31 | H28 | 0.2° | 0.5° |
