XO5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C22 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| O3 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C13 | sing | 1.47Å | 1.48Å | |
| N3 | C17 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | N2 | sing | 1.43Å | 1.49Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | N2 | sing | 1.43Å | 1.49Å | |
| F1 | C5 | sing | 1.35Å | 1.33Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N2 | sing | 1.44Å | 1.49Å | |
| C15 | C3 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C7 | N1 | sing | 1.40Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| O1 | S1 | doub | 1.42Å | 1.42Å | |
| N1 | S1 | sing | 1.67Å | 1.65Å | |
| C8 | S1 | sing | 1.81Å | 1.71Å | |
| S1 | O2 | doub | 1.42Å | 1.42Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 60.0° | 60.0° |
| C21 | C22 | C20 | 60.1° | 60.0° |
| C22 | C21 | H30 | 120.0° | 117.5° |
| C22 | C21 | H29 | 120.0° | 117.5° |
| C21 | C22 | H32 | 120.0° | 117.5° |
| C21 | C22 | H31 | 120.0° | 117.5° |
| C21 | C20 | C22 | 59.8° | 60.0° |
| C21 | C20 | C19 | 119.2° | 117.5° |
| C21 | C20 | H28 | 115.8° | 117.5° |
| C20 | C21 | H30 | 120.0° | 117.5° |
| C20 | C21 | H29 | 120.0° | 117.5° |
| C22 | C20 | C19 | 118.3° | 117.5° |
| C22 | C20 | H28 | 115.9° | 117.5° |
| C20 | C22 | H32 | 119.9° | 117.5° |
| C20 | C22 | H31 | 120.0° | 117.5° |
| C20 | C19 | C18 | 110.6° | 109.5° |
| C19 | C20 | H28 | 116.1° | 115.6° |
| C20 | C19 | H27 | 109.2° | 109.5° |
| C20 | C19 | H26 | 109.2° | 109.5° |
| C19 | C18 | O3 | 121.9° | 120.0° |
| C19 | C18 | N3 | 118.3° | 120.0° |
| C18 | C19 | H27 | 109.2° | 109.5° |
| C18 | C19 | H26 | 109.2° | 109.4° |
| O3 | C18 | N3 | 119.8° | 120.0° |
| C18 | N3 | C13 | 119.0° | 121.2° |
| C18 | N3 | C17 | 122.1° | 121.2° |
| C13 | N3 | C17 | 118.6° | 117.7° |
| N3 | C13 | C14 | 112.2° | 109.3° |
| N3 | C13 | C12 | 112.9° | 109.2° |
| N3 | C13 | H1 | 106.4° | 109.2° |
| N3 | C17 | C16 | 110.0° | 107.9° |
| N3 | C17 | H25 | 109.3° | 109.8° |
| N3 | C17 | H24 | 109.4° | 109.7° |
| C17 | C16 | N2 | 106.3° | 112.2° |
| C17 | C16 | H23 | 110.2° | 109.0° |
| C17 | C16 | H22 | 110.3° | 108.9° |
| C16 | C17 | H25 | 109.3° | 109.8° |
| C16 | C17 | H24 | 109.3° | 109.9° |
| C16 | N2 | C14 | 109.5° | 115.9° |
| C16 | N2 | C15 | 110.1° | 118.7° |
| N2 | C16 | H23 | 110.3° | 108.9° |
| N2 | C16 | H22 | 110.3° | 108.9° |
| C13 | C14 | N2 | 114.0° | 112.1° |
| C14 | C13 | C12 | 113.1° | 109.7° |
| C14 | C13 | H1 | 105.7° | 110.1° |
| C13 | C14 | H19 | 108.3° | 108.9° |
| C13 | C14 | H18 | 108.3° | 109.0° |
| C14 | N2 | C15 | 110.6° | 119.0° |
| N2 | C14 | H19 | 108.3° | 109.0° |
| N2 | C14 | H18 | 108.3° | 109.0° |
| F1 | C5 | C4 | 118.4° | 120.1° |
| F1 | C5 | C6 | 119.7° | 120.2° |
| C13 | C12 | C11 | 117.6° | 109.1° |
| C12 | C13 | H1 | 105.7° | 109.2° |
| C13 | C12 | H16 | 107.4° | 109.5° |
| C13 | C12 | H17 | 107.4° | 109.5° |
| C5 | C4 | C3 | 118.8° | 120.1° |
| C4 | C5 | C6 | 121.8° | 119.7° |
| C5 | C4 | H5 | 120.6° | 120.0° |
| C4 | C3 | C15 | 117.3° | 119.9° |
| C4 | C3 | C2 | 121.1° | 120.5° |
| C3 | C4 | H5 | 120.6° | 120.0° |
| N2 | C15 | C3 | 109.6° | 110.6° |
| N2 | C15 | H20 | 109.4° | 109.3° |
| N2 | C15 | H21 | 109.4° | 109.2° |
| C15 | C3 | C2 | 121.6° | 119.6° |
| C3 | C15 | H20 | 109.4° | 109.3° |
| C3 | C15 | H21 | 109.5° | 109.2° |
| C5 | C6 | C7 | 118.1° | 120.3° |
| C5 | C6 | H6 | 120.9° | 119.9° |
| C3 | C2 | C7 | 118.7° | 119.3° |
| C3 | C2 | C1 | 119.9° | 120.3° |
| C12 | C11 | C10 | 111.1° | 109.5° |
| C12 | C11 | H14 | 109.0° | 109.4° |
| C12 | C11 | H15 | 109.1° | 109.5° |
| C11 | C12 | H16 | 107.4° | 109.5° |
| C11 | C12 | H17 | 107.4° | 109.6° |
| C6 | C7 | C2 | 121.3° | 120.1° |
| C6 | C7 | N1 | 117.9° | 122.9° |
| C7 | C6 | H6 | 120.9° | 119.8° |
| C7 | C2 | C1 | 121.4° | 120.3° |
| C2 | C7 | N1 | 120.8° | 117.0° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H4 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C11 | C10 | C9 | 112.7° | 109.6° |
| C11 | C10 | H13 | 108.7° | 109.4° |
| C11 | C10 | H12 | 108.7° | 109.5° |
| C10 | C11 | H14 | 109.1° | 109.5° |
| C10 | C11 | H15 | 109.1° | 109.5° |
| C7 | N1 | S1 | 124.5° | 117.4° |
| C7 | N1 | H7 | 105.6° | 121.3° |
| C10 | C9 | C8 | 112.6° | 109.8° |
| C10 | C9 | H11 | 108.7° | 109.5° |
| C10 | C9 | H10 | 108.7° | 109.5° |
| C9 | C10 | H13 | 108.6° | 109.5° |
| C9 | C10 | H12 | 108.6° | 109.5° |
| C9 | C8 | S1 | 116.5° | 109.7° |
| C8 | C9 | H11 | 108.7° | 109.4° |
| C8 | C9 | H10 | 108.7° | 109.4° |
| C9 | C8 | H9 | 107.7° | 109.4° |
| C9 | C8 | H8 | 107.7° | 109.5° |
| O1 | S1 | N1 | 109.2° | 104.4° |
| O1 | S1 | C8 | 110.5° | 110.7° |
| O1 | S1 | O2 | 119.6° | 121.3° |
| N1 | S1 | C8 | 103.5° | 103.4° |
| N1 | S1 | O2 | 105.5° | 104.4° |
| S1 | N1 | H7 | 105.6° | 121.3° |
| C8 | S1 | O2 | 107.2° | 110.7° |
| S1 | C8 | H9 | 107.7° | 109.4° |
| S1 | C8 | H8 | 107.7° | 109.5° |
| H11 | C9 | H10 | 109.5° | 109.4° |
| H30 | C21 | H29 | 109.5° | 115.6° |
| H9 | C8 | H8 | 109.5° | 109.3° |
| H23 | C16 | H22 | 109.5° | 108.8° |
| H27 | C19 | H26 | 109.5° | 109.4° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H4 | C1 | H2 | 109.5° | 109.5° |
| H13 | C10 | H12 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.6° |
| H19 | C14 | H18 | 109.4° | 108.8° |
| H20 | C15 | H21 | 109.5° | 109.2° |
| H25 | C17 | H24 | 109.5° | 109.8° |
| H32 | C22 | H31 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H30 | 109.5° | 107.5° |
| C22 | C21 | C20 | H29 | 109.5° | 107.5° |
| C21 | C22 | C20 | H32 | 109.5° | 107.5° |
| C21 | C22 | C20 | H31 | 109.6° | 107.5° |
| C22 | C21 | C20 | C19 | 107.7° | 107.5° |
| C22 | C21 | C20 | H28 | 106.2° | 107.5° |
| C22 | C21 | H30 | H29 | 144.7° | 145.7° |
| C21 | C22 | H32 | H31 | 144.7° | 145.7° |
| C21 | C20 | C19 | H28 | 146.1° | 145.7° |
| C21 | C20 | C19 | C18 | 92.3° | 175.1° |
| C20 | C21 | H30 | H29 | 144.7° | 145.7° |
| C21 | C20 | C19 | H27 | 147.6° | 64.9° |
| C21 | C20 | C19 | H26 | 27.9° | 55.1° |
| C22 | C20 | C19 | H28 | 144.6° | 145.7° |
| C22 | C20 | C19 | C18 | 161.6° | 116.3° |
| C22 | C20 | C19 | H27 | 78.2° | 3.7° |
| C22 | C20 | C19 | H26 | 41.4° | 123.7° |
| C20 | C22 | H32 | H31 | 144.6° | 145.7° |
| C20 | C19 | C18 | H27 | 120.2° | 120.0° |
| C20 | C19 | C18 | H26 | 120.1° | 120.0° |
| C20 | C19 | C18 | O3 | 23.9° | 0.0° |
| C20 | C19 | C18 | N3 | 156.1° | 180.0° |
| C19 | C20 | C21 | H30 | 1.8° | 145.0° |
| C19 | C20 | C21 | H29 | 142.9° | 0.0° |
| C20 | C19 | H27 | H26 | 119.4° | 120.0° |
| C19 | C20 | C22 | H32 | 141.3° | 0.0° |
| C19 | C20 | C22 | H31 | 0.4° | 145.1° |
| C19 | C18 | O3 | N3 | 180.0° | 180.0° |
| C19 | C18 | N3 | C13 | 177.3° | 160.1° |
| C19 | C18 | N3 | C17 | 10.1° | 20.1° |
| C18 | C19 | C20 | H28 | 53.8° | 29.4° |
| C18 | C19 | H27 | H26 | 119.5° | 119.9° |
| O3 | C18 | N3 | C13 | 2.7° | 19.9° |
| O3 | C18 | N3 | C17 | 169.9° | 159.9° |
| O3 | C18 | C19 | H27 | 96.2° | 120.1° |
| O3 | C18 | C19 | H26 | 144.1° | 120.0° |
| C18 | N3 | C13 | C17 | 172.8° | 179.8° |
| C18 | N3 | C17 | C16 | 138.4° | 175.7° |
| C18 | N3 | C13 | C14 | 151.0° | 133.1° |
| C18 | N3 | C13 | C12 | 79.7° | 13.1° |
| C18 | N3 | C13 | H1 | 35.8° | 106.3° |
| N3 | C18 | C19 | H27 | 83.8° | 60.0° |
| N3 | C18 | C19 | H26 | 35.9° | 60.0° |
| C18 | N3 | C17 | H25 | 101.5° | 64.7° |
| C18 | N3 | C17 | H24 | 18.3° | 56.0° |
| C13 | N3 | C17 | C16 | 49.0° | 4.1° |
| N3 | C13 | C14 | C12 | 129.2° | 119.7° |
| N3 | C13 | C14 | H1 | 115.6° | 120.0° |
| N3 | C13 | C14 | N2 | 38.6° | 52.0° |
| N3 | C13 | C12 | H1 | 116.0° | 119.3° |
| N3 | C13 | C12 | C11 | 71.0° | 128.4° |
| N3 | C13 | C12 | H16 | 167.9° | 8.5° |
| N3 | C13 | C12 | H17 | 50.2° | 111.6° |
| N3 | C13 | C14 | H19 | 82.1° | 68.6° |
| N3 | C13 | C14 | H18 | 159.3° | 172.7° |
| C13 | N3 | C17 | H25 | 71.0° | 115.5° |
| C13 | N3 | C17 | H24 | 169.1° | 123.7° |
| N3 | C17 | C16 | H25 | 120.1° | 119.6° |
| N3 | C17 | C16 | H24 | 120.1° | 119.6° |
| N3 | C17 | C16 | N2 | 62.4° | 54.0° |
| C17 | N3 | C13 | C14 | 36.2° | 47.1° |
| C17 | N3 | C13 | C12 | 93.1° | 167.2° |
| C17 | N3 | C13 | H1 | 151.3° | 73.5° |
| N3 | C17 | C16 | H23 | 178.1° | 66.7° |
| N3 | C17 | C16 | H22 | 57.1° | 174.7° |
| N3 | C17 | H25 | H24 | 119.8° | 120.7° |
| C17 | C16 | N2 | H23 | 119.5° | 120.7° |
| C17 | C16 | N2 | H22 | 119.5° | 120.7° |
| C17 | C16 | N2 | C14 | 66.7° | 50.6° |
| C17 | C16 | N2 | C15 | 171.6° | 157.8° |
| C17 | C16 | H23 | H22 | 121.4° | 118.7° |
| C16 | C17 | H25 | H24 | 119.7° | 120.9° |
| C16 | N2 | C14 | C13 | 56.1° | 4.0° |
| C16 | N2 | C14 | C15 | 121.5° | 151.6° |
| C16 | N2 | C15 | C3 | 178.6° | 78.8° |
| N2 | C16 | H23 | H22 | 121.5° | 118.6° |
| C16 | N2 | C14 | H19 | 64.6° | 116.6° |
| C16 | N2 | C14 | H18 | 176.7° | 124.7° |
| C16 | N2 | C15 | H20 | 61.4° | 160.9° |
| C16 | N2 | C15 | H21 | 58.5° | 41.5° |
| N2 | C16 | C17 | H25 | 57.7° | 65.5° |
| N2 | C16 | C17 | H24 | 177.5° | 173.6° |
| C13 | C14 | N2 | H19 | 120.7° | 120.6° |
| C13 | C14 | N2 | H18 | 120.7° | 120.7° |
| C14 | C13 | C12 | H1 | 115.2° | 120.9° |
| C13 | C14 | N2 | C15 | 177.5° | 147.5° |
| C14 | C13 | C12 | C11 | 57.9° | 111.7° |
| C14 | C13 | C12 | H16 | 63.3° | 128.3° |
| C14 | C13 | C12 | H17 | 179.1° | 8.2° |
| C13 | C14 | H19 | H18 | 117.9° | 118.7° |
| N2 | C14 | C13 | C12 | 90.7° | 171.7° |
| C14 | N2 | C15 | C3 | 57.5° | 72.0° |
| N2 | C14 | C13 | H1 | 154.2° | 68.0° |
| C14 | N2 | C16 | H23 | 173.8° | 70.2° |
| C14 | N2 | C16 | H22 | 52.9° | 171.3° |
| N2 | C14 | H19 | H18 | 117.9° | 118.7° |
| C14 | N2 | C15 | H20 | 177.5° | 48.3° |
| C14 | N2 | C15 | H21 | 62.6° | 167.7° |
| F1 | C5 | C4 | C6 | 179.6° | 179.9° |
| F1 | C5 | C4 | C3 | 177.7° | 179.5° |
| F1 | C5 | C6 | C7 | 178.2° | 177.3° |
| F1 | C5 | C4 | H5 | 2.3° | 0.5° |
| F1 | C5 | C6 | H6 | 1.8° | 2.8° |
| C13 | C12 | C11 | H16 | 121.1° | 119.9° |
| C13 | C12 | C11 | H17 | 121.2° | 119.9° |
| C13 | C12 | C11 | C10 | 152.9° | 91.7° |
| C13 | C12 | C11 | H14 | 86.8° | 148.3° |
| C13 | C12 | C11 | H15 | 32.7° | 28.3° |
| C13 | C12 | H16 | H17 | 116.3° | 120.1° |
| C12 | C13 | C14 | H19 | 148.6° | 51.1° |
| C12 | C13 | C14 | H18 | 30.0° | 67.6° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C15 | 179.9° | 174.0° |
| C5 | C4 | C3 | C2 | 0.2° | 3.5° |
| C4 | C5 | C6 | C7 | 1.4° | 2.6° |
| C4 | C5 | C6 | H6 | 178.6° | 177.3° |
| C4 | C3 | C15 | N2 | 115.4° | 95.7° |
| C4 | C3 | C15 | C2 | 179.8° | 177.5° |
| C3 | C4 | C5 | C6 | 1.9° | 0.6° |
| C4 | C3 | C2 | C7 | 2.5° | 3.2° |
| C4 | C3 | C2 | C1 | 177.6° | 176.8° |
| C4 | C3 | C15 | H20 | 124.5° | 144.0° |
| C4 | C3 | C15 | H21 | 4.6° | 24.6° |
| N2 | C15 | C3 | H20 | 120.0° | 120.3° |
| N2 | C15 | C3 | H21 | 120.0° | 120.2° |
| N2 | C15 | C3 | C2 | 64.8° | 81.9° |
| C15 | N2 | C16 | H23 | 52.1° | 81.5° |
| C15 | N2 | C16 | H22 | 68.9° | 37.1° |
| C15 | N2 | C14 | H19 | 56.8° | 91.8° |
| C15 | N2 | C14 | H18 | 61.8° | 26.8° |
| N2 | C15 | H20 | H21 | 119.9° | 119.4° |
| C15 | C3 | C2 | C7 | 177.7° | 174.4° |
| C15 | C3 | C2 | C1 | 2.2° | 5.7° |
| C15 | C3 | C4 | H5 | 0.1° | 6.0° |
| C3 | C15 | H20 | H21 | 120.0° | 119.5° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 1.1° | 2.9° |
| C5 | C6 | C7 | N1 | 179.8° | 179.3° |
| C6 | C5 | C4 | H5 | 178.1° | 179.4° |
| C3 | C2 | C7 | C6 | 3.0° | 0.0° |
| C3 | C2 | C7 | C1 | 179.9° | 180.0° |
| C3 | C2 | C7 | N1 | 178.3° | 177.9° |
| C2 | C3 | C4 | H5 | 179.8° | 176.5° |
| C3 | C2 | C1 | H3 | 90.0° | 99.6° |
| C3 | C2 | C1 | H4 | 150.0° | 20.4° |
| C3 | C2 | C1 | H2 | 30.0° | 140.4° |
| C2 | C3 | C15 | H20 | 55.2° | 38.5° |
| C2 | C3 | C15 | H21 | 175.2° | 157.9° |
| C12 | C11 | C10 | H14 | 120.2° | 120.0° |
| C12 | C11 | C10 | H15 | 120.3° | 120.0° |
| C12 | C11 | C10 | C9 | 79.4° | 140.2° |
| C11 | C12 | C13 | H1 | 173.1° | 9.1° |
| C12 | C11 | C10 | H13 | 41.1° | 20.1° |
| C12 | C11 | C10 | H12 | 160.1° | 99.8° |
| C12 | C11 | H14 | H15 | 119.2° | 120.0° |
| C11 | C12 | H16 | H17 | 116.3° | 120.2° |
| C6 | C7 | C2 | N1 | 178.7° | 177.9° |
| C6 | C7 | C2 | C1 | 177.1° | 180.0° |
| C6 | C7 | N1 | S1 | 75.1° | 60.1° |
| C6 | C7 | N1 | H7 | 162.8° | 120.1° |
| C2 | C7 | N1 | S1 | 106.1° | 117.8° |
| C2 | C7 | C6 | H6 | 178.9° | 177.0° |
| C7 | C2 | C1 | H3 | 90.1° | 80.4° |
| C7 | C2 | C1 | H4 | 30.0° | 159.6° |
| C7 | C2 | C1 | H2 | 149.9° | 39.6° |
| C2 | C7 | N1 | H7 | 15.9° | 62.1° |
| C1 | C2 | C7 | N1 | 1.7° | 2.1° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H4 | H2 | 120.0° | 120.0° |
| C11 | C10 | C9 | H13 | 120.5° | 120.0° |
| C11 | C10 | C9 | H12 | 120.5° | 120.0° |
| C11 | C10 | C9 | C8 | 117.6° | 171.8° |
| C11 | C10 | C9 | H11 | 2.9° | 68.1° |
| C11 | C10 | C9 | H10 | 122.0° | 51.7° |
| C11 | C10 | H13 | H12 | 118.6° | 119.9° |
| C10 | C11 | H14 | H15 | 119.2° | 120.0° |
| C10 | C11 | C12 | H16 | 31.8° | 148.4° |
| C10 | C11 | C12 | H17 | 85.9° | 28.2° |
| C7 | N1 | S1 | O1 | 39.9° | 7.6° |
| C7 | N1 | S1 | H7 | 122.0° | 179.9° |
| C7 | N1 | S1 | C8 | 77.8° | 108.3° |
| C7 | N1 | S1 | O2 | 169.7° | 135.8° |
| N1 | C7 | C6 | H6 | 0.2° | 0.8° |
| C10 | C9 | C8 | H11 | 120.5° | 120.1° |
| C10 | C9 | C8 | H10 | 120.4° | 120.1° |
| C10 | C9 | C8 | S1 | 173.7° | 134.7° |
| C10 | C9 | H11 | H10 | 118.6° | 119.9° |
| C10 | C9 | C8 | H9 | 65.3° | 105.3° |
| C10 | C9 | C8 | H8 | 52.7° | 14.5° |
| C9 | C10 | H13 | H12 | 118.5° | 120.0° |
| C9 | C10 | C11 | H14 | 160.4° | 99.9° |
| C9 | C10 | C11 | H15 | 40.9° | 20.1° |
| C9 | C8 | S1 | O1 | 29.4° | 5.8° |
| C9 | C8 | S1 | N1 | 87.4° | 105.5° |
| C9 | C8 | S1 | H9 | 121.0° | 120.0° |
| C9 | C8 | S1 | H8 | 121.0° | 120.1° |
| C9 | C8 | S1 | O2 | 161.3° | 143.2° |
| C8 | C9 | H11 | H10 | 118.6° | 119.8° |
| C9 | C8 | H9 | H8 | 116.9° | 119.9° |
| C8 | C9 | C10 | H13 | 121.9° | 51.8° |
| C8 | C9 | C10 | H12 | 2.9° | 68.2° |
| O1 | S1 | N1 | C8 | 117.7° | 115.9° |
| O1 | S1 | N1 | O2 | 129.7° | 128.3° |
| O1 | S1 | C8 | O2 | 131.9° | 137.4° |
| O1 | S1 | C8 | H9 | 91.7° | 114.2° |
| O1 | S1 | C8 | H8 | 150.4° | 126.0° |
| O1 | S1 | N1 | H7 | 161.9° | 172.6° |
| N1 | S1 | C8 | O2 | 111.3° | 111.3° |
| N1 | S1 | C8 | H9 | 151.5° | 134.4° |
| N1 | S1 | C8 | H8 | 33.6° | 14.6° |
| S1 | C8 | C9 | H11 | 53.3° | 105.2° |
| S1 | C8 | C9 | H10 | 65.8° | 14.6° |
| S1 | C8 | H9 | H8 | 116.8° | 119.9° |
| C8 | S1 | N1 | H7 | 44.2° | 71.6° |
| O2 | S1 | C8 | H9 | 40.2° | 23.1° |
| O2 | S1 | C8 | H8 | 77.7° | 96.7° |
| O2 | S1 | N1 | H7 | 68.3° | 44.3° |
| H11 | C9 | C8 | H9 | 174.3° | 14.8° |
| H11 | C9 | C8 | H8 | 67.8° | 134.6° |
| H11 | C9 | C10 | H13 | 117.6° | 171.9° |
| H11 | C9 | C10 | H12 | 123.4° | 51.9° |
| H10 | C9 | C8 | H9 | 55.2° | 134.6° |
| H10 | C9 | C8 | H8 | 173.2° | 105.6° |
| H10 | C9 | C10 | H13 | 1.5° | 68.2° |
| H10 | C9 | C10 | H12 | 117.5° | 171.8° |
| H1 | C13 | C12 | H16 | 51.9° | 110.8° |
| H1 | C13 | C12 | H17 | 65.8° | 129.0° |
| H1 | C13 | C14 | H19 | 33.5° | 171.4° |
| H1 | C13 | C14 | H18 | 85.1° | 52.7° |
| H28 | C20 | C21 | H30 | 144.3° | 0.0° |
| H28 | C20 | C21 | H29 | 3.3° | 145.0° |
| H28 | C20 | C19 | H27 | 66.4° | 149.4° |
| H28 | C20 | C19 | H26 | 174.0° | 90.6° |
| H28 | C20 | C22 | H32 | 3.3° | 145.0° |
| H28 | C20 | C22 | H31 | 144.3° | 0.0° |
| H30 | C21 | C22 | H32 | 141.0° | 145.0° |
| H30 | C21 | C22 | H31 | 0.0° | 0.0° |
| H29 | C21 | C22 | H32 | 0.0° | 0.0° |
| H29 | C21 | C22 | H31 | 141.0° | 145.0° |
| H23 | C16 | C17 | H25 | 61.8° | 173.7° |
| H23 | C16 | C17 | H24 | 58.0° | 52.9° |
| H22 | C16 | C17 | H25 | 177.2° | 55.2° |
| H22 | C16 | C17 | H24 | 63.0° | 65.7° |
| H3 | C1 | H4 | H2 | 120.0° | 120.0° |
| H13 | C10 | C11 | H14 | 79.2° | 140.1° |
| H13 | C10 | C11 | H15 | 161.4° | 99.9° |
| H12 | C10 | C11 | H14 | 39.9° | 20.2° |
| H12 | C10 | C11 | H15 | 79.6° | 140.2° |
| H14 | C11 | C12 | H16 | 152.0° | 28.4° |
| H14 | C11 | C12 | H17 | 34.4° | 91.8° |
| H15 | C11 | C12 | H16 | 88.5° | 91.6° |
| H15 | C11 | C12 | H17 | 153.8° | 148.2° |
