VQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F40 | C37 | sing | 1.40Å | 1.33Å | |
| F39 | C37 | sing | 1.40Å | 1.34Å | |
| F38 | C37 | sing | 1.40Å | 1.36Å | |
| C37 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | N7 | sing | 1.47Å | 1.49Å | |
| C3 | N7 | sing | 1.40Å | 1.46Å | |
| C3 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | N12 | sing | 1.47Å | 1.49Å | |
| N7 | C10 | sing | 1.47Å | 1.47Å | |
| N12 | C11 | sing | 1.47Å | 1.49Å | |
| N12 | S13 | sing | 1.66Å | 1.64Å | |
| O15 | S13 | doub | 1.42Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| O24 | C23 | doub | 1.22Å | 1.23Å | |
| C21 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| S13 | C14 | sing | 1.76Å | 1.76Å | |
| S13 | O16 | doub | 1.42Å | 1.45Å | |
| C23 | C25 | sing | 1.47Å | 1.53Å | |
| C23 | N22 | sing | 1.35Å | 1.36Å | |
| C14 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | N31 | sing | 1.46Å | 1.50Å | |
| C25 | C26 | doub | 1.40Å | 1.42Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | N22 | sing | 1.40Å | 1.42Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N31 | C30 | sing | 1.39Å | 1.50Å | |
| N31 | S33 | sing | 1.66Å | 1.66Å | |
| C30 | C29 | doub | 1.39Å | 1.43Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| O35 | S33 | doub | 1.42Å | 1.42Å | |
| S33 | O36 | doub | 1.42Å | 1.44Å | |
| S33 | C34 | sing | 1.81Å | 1.79Å | |
| 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 | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| N22 | H17 | sing | 0.97Å | 1.00Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F40 | C37 | F39 | 105.3° | 109.5° |
| F40 | C37 | F38 | 110.2° | 109.5° |
| F40 | C37 | C5 | 111.7° | 109.5° |
| F39 | C37 | F38 | 111.1° | 109.5° |
| F39 | C37 | C5 | 109.2° | 109.5° |
| F38 | C37 | C5 | 109.3° | 109.4° |
| C37 | C5 | C4 | 116.4° | 120.0° |
| C37 | C5 | C6 | 121.1° | 120.0° |
| C4 | C5 | C6 | 122.3° | 120.1° |
| C5 | C4 | C3 | 119.9° | 119.9° |
| C5 | C4 | H7 | 120.1° | 120.1° |
| C5 | C6 | C1 | 119.2° | 120.2° |
| C5 | C6 | H8 | 120.4° | 119.9° |
| C4 | C3 | N7 | 119.9° | 120.1° |
| C4 | C3 | C2 | 117.9° | 119.9° |
| C3 | C4 | H7 | 120.1° | 120.0° |
| C6 | C1 | C2 | 118.8° | 120.1° |
| C6 | C1 | H5 | 120.6° | 119.9° |
| C1 | C6 | H8 | 120.4° | 119.9° |
| C9 | C8 | N7 | 106.7° | 109.4° |
| C8 | C9 | N12 | 110.2° | 108.5° |
| C9 | C8 | H9 | 110.1° | 109.5° |
| C9 | C8 | H10 | 110.2° | 109.5° |
| C8 | C9 | H11 | 109.3° | 109.6° |
| C8 | C9 | H12 | 109.3° | 109.7° |
| C8 | N7 | C3 | 119.6° | 111.0° |
| C8 | N7 | C10 | 111.5° | 111.3° |
| N7 | C8 | H9 | 110.1° | 109.5° |
| N7 | C8 | H10 | 110.2° | 109.5° |
| N7 | C3 | C2 | 121.9° | 120.0° |
| C3 | N7 | C10 | 118.6° | 111.0° |
| C3 | C2 | C1 | 121.8° | 119.9° |
| C3 | C2 | H6 | 119.1° | 120.1° |
| C2 | C1 | H5 | 120.6° | 120.0° |
| C1 | C2 | H6 | 119.1° | 120.1° |
| C9 | N12 | C11 | 114.0° | 118.2° |
| C9 | N12 | S13 | 112.8° | 120.9° |
| N12 | C9 | H11 | 109.3° | 109.6° |
| N12 | C9 | H12 | 109.3° | 109.6° |
| N7 | C10 | C11 | 102.1° | 109.3° |
| N7 | C10 | H1 | 111.3° | 109.4° |
| N7 | C10 | H2 | 111.3° | 109.5° |
| C11 | N12 | S13 | 111.0° | 120.9° |
| N12 | C11 | C10 | 106.1° | 108.5° |
| N12 | C11 | H3 | 110.3° | 109.6° |
| N12 | C11 | H4 | 110.3° | 109.8° |
| N12 | S13 | O15 | 108.1° | 106.4° |
| N12 | S13 | C14 | 110.3° | 107.3° |
| N12 | S13 | O16 | 110.1° | 106.4° |
| O15 | S13 | C14 | 110.1° | 106.4° |
| O15 | S13 | O16 | 111.3° | 123.1° |
| C11 | C10 | H1 | 111.3° | 109.5° |
| C11 | C10 | H2 | 111.3° | 109.5° |
| C10 | C11 | H3 | 110.3° | 109.6° |
| C10 | C11 | H4 | 110.3° | 109.7° |
| C21 | C20 | C14 | 118.7° | 120.1° |
| C20 | C21 | C19 | 120.5° | 119.9° |
| C21 | C20 | H15 | 120.7° | 119.9° |
| C20 | C21 | H16 | 119.7° | 120.1° |
| C20 | C14 | S13 | 121.3° | 119.9° |
| C20 | C14 | C17 | 121.0° | 120.2° |
| C14 | C20 | H15 | 120.7° | 120.0° |
| O24 | C23 | C25 | 122.6° | 120.0° |
| O24 | C23 | N22 | 121.1° | 120.0° |
| C21 | C19 | N22 | 123.3° | 120.0° |
| C21 | C19 | C18 | 119.5° | 119.9° |
| C19 | C21 | H16 | 119.7° | 120.0° |
| C14 | S13 | O16 | 106.9° | 106.4° |
| S13 | C14 | C17 | 117.6° | 119.9° |
| C25 | C23 | N22 | 116.0° | 120.1° |
| C23 | C25 | C26 | 117.9° | 120.2° |
| C23 | C25 | C30 | 122.8° | 120.3° |
| C23 | N22 | C19 | 128.3° | 120.0° |
| C23 | N22 | H17 | 115.8° | 120.0° |
| C14 | C17 | C18 | 120.3° | 120.1° |
| C14 | C17 | H13 | 119.9° | 120.0° |
| C32 | N31 | C30 | 115.7° | 120.0° |
| C32 | N31 | S33 | 111.7° | 120.0° |
| N31 | C32 | H22 | 109.5° | 109.5° |
| N31 | C32 | H23 | 109.5° | 109.5° |
| N31 | C32 | H24 | 109.5° | 109.5° |
| C26 | C25 | C30 | 119.2° | 119.6° |
| C25 | C26 | C27 | 120.7° | 119.9° |
| C25 | C26 | H18 | 119.7° | 120.1° |
| C25 | C30 | N31 | 118.6° | 120.2° |
| C25 | C30 | C29 | 119.3° | 119.7° |
| C26 | C27 | C28 | 120.6° | 120.4° |
| C27 | C26 | H18 | 119.6° | 120.0° |
| C26 | C27 | H19 | 119.7° | 119.9° |
| N22 | C19 | C18 | 116.9° | 120.1° |
| C19 | N22 | H17 | 115.8° | 120.0° |
| C19 | C18 | C17 | 119.9° | 119.9° |
| C19 | C18 | H14 | 120.1° | 120.0° |
| C30 | N31 | S33 | 113.7° | 120.0° |
| N31 | C30 | C29 | 122.1° | 120.1° |
| N31 | S33 | O35 | 107.6° | 104.3° |
| N31 | S33 | O36 | 108.5° | 104.3° |
| N31 | S33 | C34 | 110.4° | 104.5° |
| C30 | C29 | C28 | 120.4° | 120.0° |
| C30 | C29 | H21 | 119.8° | 120.0° |
| C27 | C28 | C29 | 119.7° | 120.4° |
| C28 | C27 | H19 | 119.7° | 119.8° |
| C27 | C28 | H20 | 120.2° | 119.9° |
| C18 | C17 | H13 | 119.9° | 120.0° |
| C17 | C18 | H14 | 120.1° | 120.0° |
| C29 | C28 | H20 | 120.2° | 119.7° |
| C28 | C29 | H21 | 119.8° | 120.0° |
| O35 | S33 | O36 | 107.1° | 121.0° |
| O35 | S33 | C34 | 112.1° | 110.5° |
| O36 | S33 | C34 | 111.0° | 110.5° |
| S33 | C34 | H25 | 109.5° | 109.5° |
| S33 | C34 | H26 | 109.5° | 109.5° |
| S33 | C34 | H27 | 109.4° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.6° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.7° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H22 | C32 | H24 | 109.4° | 109.4° |
| H23 | C32 | H24 | 109.5° | 109.4° |
| H25 | C34 | H26 | 109.5° | 109.5° |
| H25 | C34 | H27 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F40 | C37 | F39 | F38 | 119.3° | 120.0° |
| F40 | C37 | F39 | C5 | 120.1° | 120.0° |
| F40 | C37 | F38 | C5 | 123.2° | 120.0° |
| F40 | C37 | C5 | C4 | 97.2° | 30.0° |
| F40 | C37 | C5 | C6 | 86.1° | 150.3° |
| F39 | C37 | F38 | C5 | 120.5° | 120.0° |
| F39 | C37 | C5 | C4 | 18.8° | 150.0° |
| F39 | C37 | C5 | C6 | 157.9° | 30.2° |
| F38 | C37 | C5 | C4 | 140.5° | 90.0° |
| F38 | C37 | C5 | C6 | 36.2° | 89.7° |
| C37 | C5 | C4 | C6 | 176.6° | 179.7° |
| C37 | C5 | C4 | C3 | 178.3° | 180.0° |
| C37 | C5 | C6 | C1 | 178.9° | 179.7° |
| C37 | C5 | C4 | H7 | 1.7° | 0.0° |
| C37 | C5 | C6 | H8 | 1.1° | 0.2° |
| C5 | C4 | C3 | H7 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.5° | 0.6° |
| C5 | C4 | C3 | N7 | 175.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C4 | C5 | C6 | H8 | 177.5° | 179.9° |
| C6 | C5 | C4 | C3 | 1.7° | 0.3° |
| C5 | C6 | C1 | H8 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.5° | 0.6° |
| C5 | C6 | C1 | H5 | 179.5° | 179.7° |
| C6 | C5 | C4 | H7 | 178.3° | 179.7° |
| C4 | C3 | N7 | C8 | 1.6° | 55.6° |
| C4 | C3 | N7 | C2 | 173.8° | 179.9° |
| C4 | C3 | C2 | C1 | 3.0° | 0.0° |
| C4 | C3 | N7 | C10 | 143.9° | 180.0° |
| C4 | C3 | C2 | H6 | 177.1° | 179.9° |
| C6 | C1 | C2 | C3 | 2.2° | 0.3° |
| C6 | C1 | C2 | H5 | 180.0° | 179.7° |
| C6 | C1 | C2 | H6 | 177.9° | 179.8° |
| C9 | C8 | N7 | H9 | 119.6° | 120.0° |
| C9 | C8 | N7 | H10 | 119.6° | 120.0° |
| C9 | C8 | N7 | C3 | 150.3° | 172.7° |
| C8 | C9 | N12 | H11 | 120.1° | 119.7° |
| C8 | C9 | N12 | H12 | 120.1° | 119.8° |
| C9 | C8 | N7 | C10 | 65.0° | 63.1° |
| C8 | C9 | N12 | C11 | 52.3° | 51.1° |
| C8 | C9 | N12 | S13 | 179.8° | 128.8° |
| C9 | C8 | H9 | H10 | 121.3° | 120.1° |
| C8 | C9 | H11 | H12 | 119.6° | 120.5° |
| C8 | N7 | C3 | C10 | 142.3° | 124.3° |
| C8 | N7 | C3 | C2 | 175.4° | 124.3° |
| N7 | C8 | C9 | N12 | 50.3° | 53.8° |
| C8 | N7 | C10 | C11 | 73.4° | 63.1° |
| C8 | N7 | C10 | H1 | 45.5° | 176.9° |
| C8 | N7 | C10 | H2 | 167.8° | 56.9° |
| N7 | C8 | H9 | H10 | 121.3° | 120.0° |
| N7 | C8 | C9 | H11 | 69.8° | 65.9° |
| N7 | C8 | C9 | H12 | 170.4° | 173.6° |
| N7 | C3 | C2 | C1 | 176.9° | 179.9° |
| C3 | N7 | C10 | C11 | 141.5° | 172.7° |
| C3 | N7 | C10 | H1 | 99.7° | 52.7° |
| C3 | N7 | C10 | H2 | 22.7° | 67.3° |
| N7 | C3 | C2 | H6 | 3.2° | 0.0° |
| N7 | C3 | C4 | H7 | 5.0° | 0.0° |
| C3 | N7 | C8 | H9 | 90.1° | 52.7° |
| C3 | N7 | C8 | H10 | 30.7° | 67.3° |
| C3 | C2 | C1 | H6 | 180.0° | 179.9° |
| C2 | C3 | N7 | C10 | 42.3° | 0.0° |
| C3 | C2 | C1 | H5 | 177.8° | 180.0° |
| C2 | C3 | C4 | H7 | 179.0° | 180.0° |
| C2 | C1 | C6 | H8 | 179.5° | 179.9° |
| C9 | N12 | C11 | S13 | 128.8° | 179.9° |
| C9 | N12 | S13 | O15 | 48.6° | 156.5° |
| C9 | N12 | C11 | C10 | 60.9° | 51.2° |
| C9 | N12 | S13 | C14 | 71.8° | 89.9° |
| C9 | N12 | S13 | O16 | 170.4° | 23.6° |
| C9 | N12 | C11 | H3 | 58.6° | 170.9° |
| C9 | N12 | C11 | H4 | 179.6° | 68.7° |
| N12 | C9 | C8 | H9 | 69.2° | 173.8° |
| N12 | C9 | C8 | H10 | 169.9° | 66.1° |
| N12 | C9 | H11 | H12 | 119.7° | 120.5° |
| N7 | C10 | C11 | N12 | 66.9° | 53.9° |
| N7 | C10 | C11 | H1 | 118.8° | 119.9° |
| N7 | C10 | C11 | H2 | 118.8° | 120.0° |
| N7 | C10 | H1 | H2 | 123.4° | 120.0° |
| N7 | C10 | C11 | H3 | 52.5° | 173.5° |
| N7 | C10 | C11 | H4 | 173.6° | 66.0° |
| C10 | N7 | C8 | H9 | 54.6° | 176.9° |
| C10 | N7 | C8 | H10 | 175.4° | 56.9° |
| C11 | N12 | S13 | O15 | 178.0° | 23.6° |
| N12 | C11 | C10 | H3 | 119.5° | 119.7° |
| N12 | C11 | C10 | H4 | 119.5° | 119.9° |
| C11 | N12 | S13 | C14 | 57.6° | 90.0° |
| C11 | N12 | S13 | O16 | 60.1° | 156.5° |
| N12 | C11 | C10 | H1 | 51.9° | 173.8° |
| N12 | C11 | C10 | H2 | 174.2° | 66.2° |
| N12 | C11 | H3 | H4 | 121.5° | 120.5° |
| C11 | N12 | C9 | H11 | 67.7° | 68.6° |
| C11 | N12 | C9 | H12 | 172.5° | 170.9° |
| N12 | S13 | O15 | C14 | 120.5° | 114.2° |
| N12 | S13 | O15 | O16 | 121.1° | 122.9° |
| S13 | N12 | C11 | C10 | 170.3° | 128.7° |
| N12 | S13 | C14 | C20 | 91.7° | 90.2° |
| N12 | S13 | C14 | O16 | 119.7° | 113.5° |
| N12 | S13 | C14 | C17 | 85.3° | 90.0° |
| S13 | N12 | C11 | H3 | 70.2° | 9.0° |
| S13 | N12 | C11 | H4 | 50.8° | 111.4° |
| S13 | N12 | C9 | H11 | 60.1° | 111.5° |
| S13 | N12 | C9 | H12 | 59.7° | 9.0° |
| O15 | S13 | C14 | C20 | 27.5° | 156.2° |
| O15 | S13 | C14 | O16 | 121.1° | 132.9° |
| O15 | S13 | C14 | C17 | 155.5° | 23.6° |
| C11 | C10 | H1 | H2 | 123.4° | 120.1° |
| C10 | C11 | H3 | H4 | 121.6° | 120.5° |
| C21 | C20 | C14 | H15 | 180.0° | 179.5° |
| C20 | C21 | C19 | H16 | 180.0° | 179.5° |
| C21 | C20 | C14 | S13 | 178.6° | 179.7° |
| C21 | C20 | C14 | C17 | 1.7° | 0.5° |
| C20 | C21 | C19 | N22 | 176.3° | 179.8° |
| C20 | C21 | C19 | C18 | 3.1° | 0.2° |
| C14 | C20 | C21 | C19 | 0.5° | 0.5° |
| C20 | C14 | S13 | C17 | 177.0° | 179.8° |
| C20 | C14 | S13 | O16 | 148.6° | 23.3° |
| C20 | C14 | C17 | C18 | 1.3° | 0.2° |
| C20 | C14 | C17 | H13 | 178.7° | 179.8° |
| C14 | C20 | C21 | H16 | 179.5° | 180.0° |
| O24 | C23 | C25 | N22 | 174.0° | 180.0° |
| O24 | C23 | C25 | C26 | 136.8° | 180.0° |
| O24 | C23 | C25 | C30 | 46.8° | 0.3° |
| O24 | C23 | N22 | C19 | 10.0° | 5.3° |
| O24 | C23 | N22 | H17 | 170.0° | 174.7° |
| C21 | C19 | N22 | C23 | 12.9° | 33.3° |
| C21 | C19 | N22 | C18 | 173.3° | 180.0° |
| C21 | C19 | C18 | C17 | 3.6° | 0.1° |
| C21 | C19 | C18 | H14 | 176.4° | 179.9° |
| C19 | C21 | C20 | H15 | 179.5° | 180.0° |
| C21 | C19 | N22 | H17 | 167.1° | 146.7° |
| S13 | C14 | C17 | C18 | 178.3° | 180.0° |
| S13 | C14 | C17 | H13 | 1.7° | 0.0° |
| S13 | C14 | C20 | H15 | 1.4° | 0.2° |
| O16 | S13 | C14 | C17 | 34.5° | 156.5° |
| C23 | C25 | C26 | C30 | 176.5° | 179.7° |
| C23 | C25 | C26 | C27 | 176.8° | 179.9° |
| C25 | C23 | N22 | C19 | 175.9° | 174.7° |
| C23 | C25 | C30 | N31 | 3.1° | 0.0° |
| C23 | C25 | C30 | C29 | 176.6° | 179.7° |
| C25 | C23 | N22 | H17 | 4.1° | 5.3° |
| C23 | C25 | C26 | H18 | 3.2° | 0.1° |
| N22 | C23 | C25 | C26 | 49.2° | 0.0° |
| N22 | C23 | C25 | C30 | 127.2° | 179.7° |
| C23 | N22 | C19 | H17 | 180.0° | 180.0° |
| C23 | N22 | C19 | C18 | 173.8° | 146.8° |
| C14 | C17 | C18 | C19 | 1.5° | 0.1° |
| C14 | C17 | C18 | H13 | 180.0° | 179.9° |
| C14 | C17 | C18 | H14 | 178.6° | 180.0° |
| C17 | C14 | C20 | H15 | 178.3° | 180.0° |
| C32 | N31 | C30 | C25 | 139.9° | 95.0° |
| C32 | N31 | C30 | S33 | 131.2° | 180.0° |
| C32 | N31 | C30 | C29 | 40.3° | 85.3° |
| C32 | N31 | S33 | O35 | 64.4° | 26.1° |
| C32 | N31 | S33 | O36 | 179.9° | 153.9° |
| C32 | N31 | S33 | C34 | 58.3° | 90.0° |
| N31 | C32 | H22 | H23 | 120.0° | 120.0° |
| N31 | C32 | H22 | H24 | 120.0° | 120.1° |
| N31 | C32 | H23 | H24 | 120.0° | 120.0° |
| C25 | C26 | C27 | H18 | 180.0° | 180.0° |
| C26 | C25 | C30 | N31 | 179.4° | 179.7° |
| C26 | C25 | C30 | C29 | 0.3° | 0.5° |
| C25 | C26 | C27 | C28 | 0.4° | 0.1° |
| C25 | C26 | C27 | H19 | 179.5° | 180.0° |
| C30 | C25 | C26 | C27 | 0.3° | 0.2° |
| C25 | C30 | N31 | C29 | 179.8° | 179.7° |
| C25 | C30 | N31 | S33 | 88.8° | 85.0° |
| C25 | C30 | C29 | C28 | 0.4° | 0.6° |
| C30 | C25 | C26 | H18 | 179.7° | 179.8° |
| C25 | C30 | C29 | H21 | 179.6° | 179.7° |
| C26 | C27 | C28 | H19 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.2° | 0.0° |
| C26 | C27 | C28 | H20 | 178.8° | 180.0° |
| N22 | C19 | C18 | C17 | 177.2° | 179.9° |
| N22 | C19 | C18 | H14 | 2.8° | 0.1° |
| N22 | C19 | C21 | H16 | 3.7° | 0.2° |
| C19 | C18 | C17 | H14 | 180.0° | 179.8° |
| C19 | C18 | C17 | H13 | 178.6° | 179.9° |
| C18 | C19 | C21 | H16 | 176.9° | 179.7° |
| C18 | C19 | N22 | H17 | 6.2° | 33.2° |
| N31 | C30 | C29 | C28 | 179.8° | 179.7° |
| C30 | N31 | S33 | O35 | 162.5° | 153.9° |
| C30 | N31 | S33 | O36 | 47.0° | 26.0° |
| C30 | N31 | S33 | C34 | 74.9° | 90.0° |
| N31 | C30 | C29 | H21 | 0.2° | 0.0° |
| C30 | N31 | C32 | H22 | 180.0° | 90.0° |
| C30 | N31 | C32 | H23 | 60.0° | 150.0° |
| C30 | N31 | C32 | H24 | 60.0° | 30.0° |
| S33 | N31 | C30 | C29 | 90.9° | 94.7° |
| N31 | S33 | O35 | O36 | 116.4° | 116.8° |
| N31 | S33 | O35 | C34 | 121.6° | 111.7° |
| N31 | S33 | O36 | C34 | 121.5° | 111.8° |
| S33 | N31 | C32 | H22 | 47.9° | 90.0° |
| S33 | N31 | C32 | H23 | 72.1° | 30.0° |
| S33 | N31 | C32 | H24 | 167.9° | 150.0° |
| N31 | S33 | C34 | H25 | 180.0° | 60.0° |
| N31 | S33 | C34 | H26 | 60.0° | 179.9° |
| N31 | S33 | C34 | H27 | 60.0° | 60.0° |
| C30 | C29 | C28 | C27 | 1.2° | 0.3° |
| C30 | C29 | C28 | H21 | 180.0° | 179.8° |
| C30 | C29 | C28 | H20 | 178.9° | 179.7° |
| C27 | C28 | C29 | H20 | 180.0° | 180.0° |
| C28 | C27 | C26 | H18 | 179.5° | 179.9° |
| C27 | C28 | C29 | H21 | 178.8° | 180.0° |
| C29 | C28 | C27 | H19 | 178.8° | 180.0° |
| O35 | S33 | O36 | C34 | 122.7° | 131.4° |
| O35 | S33 | C34 | H25 | 60.1° | 51.7° |
| O35 | S33 | C34 | H26 | 179.9° | 68.4° |
| O35 | S33 | C34 | H27 | 59.9° | 171.7° |
| O36 | S33 | C34 | H25 | 59.7° | 171.6° |
| O36 | S33 | C34 | H26 | 60.4° | 68.3° |
| O36 | S33 | C34 | H27 | 179.6° | 51.7° |
| S33 | C34 | H25 | H26 | 120.0° | 120.1° |
| S33 | C34 | H25 | H27 | 120.0° | 119.9° |
| S33 | C34 | H26 | H27 | 120.0° | 119.9° |
| H1 | C10 | C11 | H3 | 171.3° | 66.5° |
| H1 | C10 | C11 | H4 | 67.6° | 53.9° |
| H2 | C10 | C11 | H3 | 66.3° | 53.5° |
| H2 | C10 | C11 | H4 | 54.8° | 173.9° |
| H5 | C1 | C2 | H6 | 2.2° | 0.1° |
| H5 | C1 | C6 | H8 | 0.5° | 0.3° |
| H9 | C8 | C9 | H11 | 170.6° | 54.1° |
| H9 | C8 | C9 | H12 | 50.9° | 66.5° |
| H10 | C8 | C9 | H11 | 49.8° | 174.1° |
| H10 | C8 | C9 | H12 | 70.0° | 53.6° |
| H13 | C17 | C18 | H14 | 1.4° | 0.1° |
| H15 | C20 | C21 | H16 | 0.5° | 0.5° |
| H18 | C26 | C27 | H19 | 0.5° | 0.0° |
| H19 | C27 | C28 | H20 | 1.2° | 0.0° |
| H20 | C28 | C29 | H21 | 1.1° | 0.0° |
| H22 | C32 | H23 | H24 | 120.0° | 119.9° |
| H25 | C34 | H26 | H27 | 120.0° | 120.0° |
