VBG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F5 | C25 | sing | 1.40Å | 1.33Å | |
| F6 | C25 | sing | 1.40Å | 1.33Å | |
| C25 | F4 | sing | 1.40Å | 1.33Å | |
| C25 | C23 | sing | 1.53Å | 1.55Å | |
| C | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| C9 | C6 | sing | 1.54Å | 1.55Å | |
| O2 | S | doub | 1.42Å | 1.44Å | |
| C8 | N | sing | 1.48Å | 1.46Å | |
| F7 | C28 | sing | 1.35Å | 1.36Å | |
| C1 | C23 | sing | 1.51Å | 1.56Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | O4 | sing | 1.43Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | S | sing | 1.81Å | 1.91Å | |
| C6 | C7 | sing | 1.54Å | 1.56Å | |
| S | O3 | doub | 1.42Å | 1.44Å | |
| S | C17 | sing | 1.76Å | 1.76Å | |
| F2 | C24 | sing | 1.40Å | 1.33Å | |
| C26 | O4 | sing | 1.43Å | 1.44Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C11 | N1 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| F3 | C24 | sing | 1.40Å | 1.33Å | |
| C24 | F1 | sing | 1.40Å | 1.33Å | |
| N | C7 | sing | 1.48Å | 1.45Å | |
| N | C10 | sing | 1.35Å | 1.36Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| N1 | C10 | sing | 1.35Å | 1.39Å | |
| N1 | C14 | sing | 1.47Å | 1.47Å | |
| C22 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | N2 | sing | 1.47Å | 1.47Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C10 | O | doub | 1.22Å | 1.22Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.43Å | 1.44Å | |
| C32 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| N2 | C15 | sing | 1.35Å | 1.36Å | |
| N2 | C13 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | O1 | doub | 1.21Å | 1.22Å | |
| C33 | N3 | trip | 1.14Å | 1.14Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | F | sing | 1.35Å | 1.36Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C29 | H4 | sing | 1.08Å | 1.08Å | |
| C30 | H5 | sing | 1.08Å | 1.08Å | |
| C31 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F5 | C25 | F6 | 107.4° | 109.5° |
| F5 | C25 | F4 | 106.6° | 109.5° |
| F5 | C25 | C23 | 112.4° | 109.5° |
| F6 | C25 | F4 | 106.6° | 109.4° |
| F6 | C25 | C23 | 111.7° | 109.5° |
| F4 | C25 | C23 | 111.8° | 109.5° |
| C25 | C23 | C1 | 113.8° | 109.5° |
| C25 | C23 | O4 | 104.8° | 109.5° |
| C25 | C23 | C24 | 107.8° | 109.4° |
| C5 | C | C1 | 121.0° | 120.0° |
| C | C5 | C4 | 121.3° | 120.0° |
| C | C5 | H3 | 119.3° | 120.0° |
| C5 | C | H9 | 119.5° | 120.0° |
| C | C1 | C23 | 120.7° | 120.0° |
| C | C1 | C2 | 117.7° | 119.9° |
| C1 | C | H9 | 119.5° | 120.0° |
| C5 | C4 | C6 | 120.8° | 120.0° |
| C5 | C4 | C3 | 117.6° | 120.0° |
| C4 | C5 | H3 | 119.3° | 120.0° |
| C8 | C9 | C6 | 108.6° | 105.0° |
| C9 | C8 | N | 103.7° | 104.6° |
| C8 | C9 | H14 | 109.7° | 110.4° |
| C8 | C9 | H15 | 109.7° | 110.3° |
| C9 | C8 | H16 | 110.9° | 110.4° |
| C9 | C8 | H17 | 110.9° | 110.4° |
| C9 | C6 | C4 | 111.6° | 110.4° |
| C9 | C6 | S | 109.2° | 110.3° |
| C9 | C6 | C7 | 99.1° | 105.1° |
| C6 | C9 | H14 | 109.7° | 110.4° |
| C6 | C9 | H15 | 109.7° | 110.4° |
| O2 | S | C6 | 108.1° | 110.6° |
| O2 | S | O3 | 118.5° | 121.1° |
| O2 | S | C17 | 108.0° | 104.3° |
| C8 | N | C7 | 108.0° | 104.4° |
| C8 | N | C10 | 129.7° | 127.8° |
| N | C8 | H16 | 110.9° | 110.4° |
| N | C8 | H17 | 110.9° | 110.4° |
| F7 | C28 | C27 | 117.6° | 119.9° |
| F7 | C28 | C29 | 118.4° | 120.0° |
| C23 | C1 | C2 | 121.0° | 120.0° |
| C1 | C23 | O4 | 112.3° | 109.5° |
| C1 | C23 | C24 | 112.1° | 109.5° |
| C1 | C2 | C3 | 121.0° | 120.0° |
| C1 | C2 | H1 | 119.5° | 120.0° |
| O4 | C23 | C24 | 105.5° | 109.5° |
| C23 | O4 | C26 | 122.3° | 114.0° |
| C23 | C24 | F2 | 111.8° | 109.5° |
| C23 | C24 | F3 | 111.7° | 109.5° |
| C23 | C24 | F1 | 111.9° | 109.4° |
| C6 | C4 | C3 | 121.3° | 120.0° |
| C4 | C6 | S | 111.7° | 110.3° |
| C4 | C6 | C7 | 110.1° | 110.4° |
| C4 | C3 | C2 | 121.1° | 120.0° |
| C4 | C3 | H2 | 119.5° | 120.0° |
| S | C6 | C7 | 114.6° | 110.3° |
| C6 | S | O3 | 108.2° | 110.5° |
| C6 | S | C17 | 104.5° | 104.4° |
| C6 | C7 | N | 102.9° | 104.5° |
| C6 | C7 | H18 | 111.1° | 110.4° |
| C6 | C7 | H19 | 111.1° | 110.4° |
| O3 | S | C17 | 108.7° | 104.3° |
| S | C17 | C22 | 118.8° | 120.0° |
| S | C17 | C18 | 119.5° | 120.0° |
| F2 | C24 | F3 | 107.3° | 109.5° |
| F2 | C24 | F1 | 107.1° | 109.5° |
| O4 | C26 | C27 | 108.3° | 109.4° |
| O4 | C26 | H7 | 109.7° | 109.4° |
| O4 | C26 | H8 | 109.8° | 109.5° |
| C26 | C27 | C28 | 121.6° | 120.1° |
| C26 | C27 | C32 | 121.5° | 120.1° |
| C27 | C26 | H7 | 109.8° | 109.5° |
| C27 | C26 | H8 | 109.8° | 109.5° |
| N1 | C11 | C12 | 109.5° | 108.9° |
| C11 | N1 | C10 | 123.0° | 120.6° |
| C11 | N1 | C14 | 112.3° | 118.8° |
| N1 | C11 | H29 | 109.4° | 109.6° |
| N1 | C11 | H30 | 109.5° | 109.7° |
| C11 | C12 | N2 | 109.7° | 108.6° |
| C11 | C12 | H27 | 109.4° | 109.7° |
| C11 | C12 | H28 | 109.4° | 109.6° |
| C12 | C11 | H29 | 109.5° | 109.5° |
| C12 | C11 | H30 | 109.5° | 109.5° |
| F3 | C24 | F1 | 106.9° | 109.5° |
| C7 | N | C10 | 122.3° | 127.8° |
| N | C7 | H18 | 111.1° | 110.5° |
| N | C7 | H19 | 111.1° | 110.4° |
| N | C10 | N1 | 117.4° | 120.0° |
| N | C10 | O | 119.6° | 120.0° |
| C27 | C28 | C29 | 123.9° | 120.1° |
| C28 | C27 | C32 | 116.8° | 119.8° |
| C28 | C29 | C30 | 118.3° | 120.3° |
| C28 | C29 | H4 | 120.9° | 119.8° |
| C3 | C2 | H1 | 119.5° | 120.0° |
| C2 | C3 | H2 | 119.4° | 120.0° |
| C27 | C32 | C33 | 120.8° | 120.1° |
| C27 | C32 | C31 | 120.3° | 119.8° |
| C10 | N1 | C14 | 117.3° | 120.6° |
| N1 | C10 | O | 122.8° | 120.0° |
| N1 | C14 | C13 | 110.0° | 108.6° |
| N1 | C14 | H20 | 109.4° | 109.7° |
| N1 | C14 | H21 | 109.3° | 109.6° |
| C17 | C22 | C21 | 119.5° | 120.1° |
| C22 | C17 | C18 | 120.9° | 120.0° |
| C17 | C22 | H10 | 120.3° | 120.0° |
| C22 | C21 | C20 | 118.4° | 120.0° |
| C21 | C22 | H10 | 120.2° | 120.0° |
| C22 | C21 | H11 | 120.8° | 120.0° |
| C17 | C18 | C19 | 119.4° | 120.0° |
| C17 | C18 | H13 | 120.3° | 120.0° |
| C12 | N2 | C15 | 126.9° | 120.6° |
| C12 | N2 | C13 | 112.7° | 118.8° |
| N2 | C12 | H27 | 109.4° | 109.6° |
| N2 | C12 | H28 | 109.4° | 109.6° |
| C16 | C15 | N2 | 118.5° | 120.0° |
| C16 | C15 | O1 | 120.8° | 120.0° |
| C15 | C16 | H24 | 109.5° | 109.5° |
| C15 | C16 | H25 | 109.5° | 109.4° |
| C15 | C16 | H26 | 109.4° | 109.4° |
| C29 | C30 | C31 | 120.4° | 120.2° |
| C30 | C29 | H4 | 120.8° | 119.9° |
| C29 | C30 | H5 | 119.8° | 119.9° |
| C14 | C13 | N2 | 110.3° | 108.6° |
| C13 | C14 | H20 | 109.3° | 109.6° |
| C13 | C14 | H21 | 109.4° | 109.6° |
| C14 | C13 | H22 | 109.3° | 109.6° |
| C14 | C13 | H23 | 109.2° | 109.6° |
| C33 | C32 | C31 | 118.6° | 120.1° |
| C32 | C33 | N3 | 177.6° | 180.0° |
| C32 | C31 | C30 | 120.3° | 119.9° |
| C32 | C31 | H6 | 119.8° | 120.0° |
| C15 | N2 | C13 | 120.4° | 120.6° |
| N2 | C15 | O1 | 120.7° | 120.0° |
| N2 | C13 | H22 | 109.3° | 109.6° |
| N2 | C13 | H23 | 109.3° | 109.8° |
| C21 | C20 | C19 | 123.1° | 119.9° |
| C21 | C20 | F | 118.0° | 120.0° |
| C20 | C21 | H11 | 120.8° | 120.0° |
| C18 | C19 | C20 | 118.4° | 120.0° |
| C18 | C19 | H12 | 120.8° | 120.0° |
| C19 | C18 | H13 | 120.3° | 120.0° |
| C31 | C30 | H5 | 119.8° | 119.9° |
| C30 | C31 | H6 | 119.9° | 120.1° |
| C19 | C20 | F | 118.8° | 120.1° |
| C20 | C19 | H12 | 120.8° | 120.0° |
| H7 | C26 | H8 | 109.4° | 109.5° |
| H14 | C9 | H15 | 109.5° | 110.3° |
| H16 | C8 | H17 | 109.5° | 110.4° |
| H18 | C7 | H19 | 109.4° | 110.4° |
| H20 | C14 | H21 | 109.5° | 109.8° |
| H22 | C13 | H23 | 109.5° | 109.6° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H26 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.7° |
| H29 | C11 | H30 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F5 | C25 | F6 | F4 | 113.9° | 120.0° |
| F5 | C25 | F6 | C23 | 123.6° | 120.0° |
| F5 | C25 | F4 | C23 | 123.2° | 120.0° |
| F5 | C25 | C23 | C1 | 48.4° | 66.2° |
| F5 | C25 | C23 | O4 | 74.6° | 53.8° |
| F5 | C25 | C23 | C24 | 173.4° | 173.8° |
| F6 | C25 | F4 | C23 | 122.4° | 120.0° |
| F6 | C25 | C23 | C1 | 72.4° | 173.7° |
| F6 | C25 | C23 | O4 | 164.6° | 66.2° |
| F6 | C25 | C23 | C24 | 52.6° | 53.8° |
| F4 | C25 | C23 | C1 | 168.2° | 53.8° |
| F4 | C25 | C23 | O4 | 45.2° | 173.8° |
| F4 | C25 | C23 | C24 | 66.8° | 66.2° |
| C25 | C23 | C1 | C | 19.2° | 58.9° |
| C25 | C23 | C1 | O4 | 118.8° | 120.0° |
| C25 | C23 | C1 | C24 | 122.6° | 120.0° |
| C25 | C23 | C1 | C2 | 169.6° | 120.8° |
| C25 | C23 | O4 | C24 | 113.6° | 120.0° |
| C25 | C23 | C24 | F2 | 67.8° | 60.3° |
| C25 | C23 | O4 | C26 | 72.1° | 66.7° |
| C25 | C23 | C24 | F3 | 52.4° | 59.7° |
| C25 | C23 | C24 | F1 | 172.2° | 179.7° |
| C5 | C | C1 | H9 | 180.0° | 179.4° |
| C | C5 | C4 | H3 | 180.0° | 179.7° |
| C5 | C | C1 | C23 | 167.5° | 179.7° |
| C5 | C | C1 | C2 | 4.0° | 0.6° |
| C | C5 | C4 | C6 | 168.4° | 179.7° |
| C | C5 | C4 | C3 | 4.6° | 0.2° |
| C1 | C | C5 | C4 | 0.3° | 0.5° |
| C | C1 | C23 | C2 | 171.2° | 179.7° |
| C | C1 | C23 | O4 | 138.0° | 178.9° |
| C | C1 | C23 | C24 | 103.5° | 61.1° |
| C | C1 | C2 | C3 | 3.9° | 0.3° |
| C | C1 | C2 | H1 | 176.1° | 179.7° |
| C1 | C | C5 | H3 | 179.7° | 179.8° |
| C5 | C4 | C6 | C9 | 49.4° | 145.3° |
| C5 | C4 | C6 | C3 | 172.8° | 179.9° |
| C5 | C4 | C6 | S | 73.2° | 92.6° |
| C5 | C4 | C6 | C7 | 158.3° | 29.6° |
| C5 | C4 | C3 | C2 | 4.6° | 0.0° |
| C5 | C4 | C3 | H2 | 175.4° | 179.9° |
| C4 | C5 | C | H9 | 179.7° | 179.9° |
| C8 | C9 | C6 | H14 | 119.9° | 118.9° |
| C8 | C9 | C6 | H15 | 119.9° | 118.9° |
| C9 | C8 | N | H16 | 119.1° | 118.8° |
| C9 | C8 | N | H17 | 119.1° | 118.8° |
| C8 | C9 | C6 | C4 | 138.1° | 118.9° |
| C8 | C9 | C6 | S | 97.9° | 119.0° |
| C8 | C9 | C6 | C7 | 22.2° | 0.1° |
| C9 | C8 | N | C7 | 27.7° | 39.5° |
| C9 | C8 | N | C10 | 150.5° | 140.4° |
| C8 | C9 | H14 | H15 | 120.4° | 122.2° |
| C9 | C8 | H16 | H17 | 122.6° | 122.4° |
| C9 | C6 | S | O2 | 66.0° | 174.5° |
| C6 | C9 | C8 | N | 1.6° | 23.9° |
| C9 | C6 | C4 | S | 122.6° | 122.2° |
| C9 | C6 | C4 | C7 | 109.0° | 115.7° |
| C9 | C6 | C4 | C3 | 137.9° | 34.6° |
| C9 | C6 | S | C7 | 110.1° | 115.7° |
| C9 | C6 | S | O3 | 63.5° | 48.7° |
| C9 | C6 | S | C17 | 179.1° | 62.9° |
| C9 | C6 | C7 | N | 38.1° | 23.7° |
| C6 | C9 | H14 | H15 | 120.4° | 122.3° |
| C6 | C9 | C8 | H16 | 117.5° | 94.9° |
| C6 | C9 | C8 | H17 | 120.7° | 142.7° |
| C9 | C6 | C7 | H18 | 157.0° | 142.6° |
| C9 | C6 | C7 | H19 | 80.9° | 95.0° |
| O2 | S | C6 | C4 | 57.9° | 52.3° |
| O2 | S | C6 | O3 | 129.5° | 136.8° |
| O2 | S | C6 | C17 | 114.8° | 111.6° |
| O2 | S | C6 | C7 | 176.1° | 69.9° |
| O2 | S | O3 | C17 | 123.7° | 116.8° |
| O2 | S | C17 | C22 | 31.0° | 154.2° |
| O2 | S | C17 | C18 | 159.4° | 26.1° |
| C8 | N | C7 | C6 | 42.7° | 39.4° |
| C8 | N | C7 | C10 | 178.3° | 179.9° |
| C8 | N | C10 | N1 | 7.3° | 9.8° |
| C8 | N | C10 | O | 167.2° | 170.2° |
| N | C8 | C9 | H14 | 118.3° | 142.8° |
| N | C8 | C9 | H15 | 121.4° | 95.0° |
| N | C8 | H16 | H17 | 122.7° | 122.4° |
| C8 | N | C7 | H18 | 161.7° | 158.2° |
| C8 | N | C7 | H19 | 76.2° | 79.3° |
| F7 | C28 | C27 | C26 | 0.4° | 0.1° |
| F7 | C28 | C27 | C29 | 176.0° | 179.7° |
| F7 | C28 | C27 | C32 | 176.0° | 179.7° |
| F7 | C28 | C29 | C30 | 173.2° | 180.0° |
| F7 | C28 | C29 | H4 | 6.9° | 0.0° |
| C1 | C23 | O4 | C24 | 122.4° | 120.0° |
| C1 | C23 | C24 | F2 | 58.2° | 59.7° |
| C1 | C23 | O4 | C26 | 51.9° | 173.2° |
| C1 | C23 | C24 | F3 | 178.4° | 179.7° |
| C1 | C23 | C24 | F1 | 61.9° | 60.3° |
| C23 | C1 | C2 | C3 | 167.6° | 180.0° |
| C23 | C1 | C2 | H1 | 12.5° | 0.0° |
| C23 | C1 | C | H9 | 12.5° | 0.3° |
| C2 | C1 | C23 | O4 | 50.8° | 0.8° |
| C2 | C1 | C23 | C24 | 67.7° | 119.2° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 179.6° | 180.0° |
| C2 | C1 | C | H9 | 176.1° | 180.0° |
| O4 | C23 | C24 | F2 | 179.3° | 179.7° |
| C23 | O4 | C26 | C27 | 175.5° | 174.2° |
| O4 | C23 | C24 | F3 | 59.1° | 60.3° |
| O4 | C23 | C24 | F1 | 60.6° | 59.7° |
| C23 | O4 | C26 | H7 | 64.7° | 54.2° |
| C23 | O4 | C26 | H8 | 55.6° | 65.8° |
| C23 | C24 | F2 | F3 | 122.7° | 120.0° |
| C23 | C24 | F2 | F1 | 122.8° | 119.9° |
| C24 | C23 | O4 | C26 | 174.2° | 53.2° |
| C23 | C24 | F3 | F1 | 122.6° | 119.9° |
| C4 | C6 | S | C7 | 126.0° | 122.2° |
| C4 | C6 | S | O3 | 172.6° | 170.9° |
| C4 | C6 | S | C17 | 57.0° | 59.3° |
| C4 | C6 | C7 | N | 155.1° | 142.7° |
| C6 | C4 | C3 | C2 | 168.4° | 179.9° |
| C6 | C4 | C3 | H2 | 11.6° | 0.0° |
| C6 | C4 | C5 | H3 | 11.6° | 0.1° |
| C4 | C6 | C9 | H14 | 102.0° | 0.0° |
| C4 | C6 | C9 | H15 | 18.2° | 122.2° |
| C4 | C6 | C7 | H18 | 85.9° | 98.4° |
| C4 | C6 | C7 | H19 | 36.2° | 24.0° |
| C3 | C4 | C6 | S | 99.6° | 87.5° |
| C3 | C4 | C6 | C7 | 28.9° | 150.3° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.6° | 180.0° |
| C3 | C4 | C5 | H3 | 175.4° | 180.0° |
| C6 | S | O3 | C17 | 112.9° | 111.7° |
| S | C6 | C7 | N | 78.0° | 95.2° |
| C6 | S | C17 | C22 | 83.9° | 89.7° |
| C6 | S | C17 | C18 | 85.7° | 90.0° |
| S | C6 | C9 | H14 | 21.9° | 122.1° |
| S | C6 | C9 | H15 | 142.2° | 0.1° |
| S | C6 | C7 | H18 | 40.9° | 23.7° |
| S | C6 | C7 | H19 | 163.0° | 146.1° |
| C7 | C6 | S | O3 | 46.6° | 66.9° |
| C7 | C6 | S | C17 | 69.1° | 178.5° |
| C6 | C7 | N | H18 | 119.0° | 118.8° |
| C6 | C7 | N | H19 | 118.9° | 118.7° |
| C6 | C7 | N | C10 | 135.6° | 140.5° |
| C7 | C6 | C9 | H14 | 142.1° | 119.0° |
| C7 | C6 | C9 | H15 | 97.7° | 118.8° |
| C6 | C7 | H18 | H19 | 123.0° | 122.4° |
| O3 | S | C17 | C22 | 160.8° | 26.3° |
| O3 | S | C17 | C18 | 29.6° | 154.0° |
| S | C17 | C22 | C18 | 169.4° | 179.8° |
| S | C17 | C22 | C21 | 162.9° | 180.0° |
| S | C17 | C18 | C19 | 164.2° | 179.8° |
| S | C17 | C22 | H10 | 17.1° | 0.0° |
| S | C17 | C18 | H13 | 15.8° | 0.0° |
| F2 | C24 | F3 | F1 | 114.6° | 120.0° |
| O4 | C26 | C27 | H7 | 119.8° | 119.9° |
| O4 | C26 | C27 | H8 | 119.8° | 120.0° |
| O4 | C26 | C27 | C28 | 84.2° | 90.0° |
| O4 | C26 | C27 | C32 | 91.2° | 89.8° |
| O4 | C26 | H7 | H8 | 120.5° | 120.0° |
| C26 | C27 | C28 | C32 | 175.6° | 179.8° |
| C26 | C27 | C28 | C29 | 175.6° | 179.7° |
| C26 | C27 | C32 | C33 | 14.5° | 0.0° |
| C26 | C27 | C32 | C31 | 172.4° | 179.6° |
| C27 | C26 | H7 | H8 | 120.6° | 120.1° |
| N1 | C11 | C12 | H29 | 120.0° | 119.8° |
| N1 | C11 | C12 | H30 | 120.0° | 119.9° |
| C11 | N1 | C10 | N | 50.4° | 11.0° |
| C11 | N1 | C10 | C14 | 147.7° | 179.8° |
| N1 | C11 | C12 | N2 | 57.3° | 49.3° |
| C11 | N1 | C10 | O | 135.2° | 169.0° |
| C11 | N1 | C14 | C13 | 57.0° | 55.0° |
| C11 | N1 | C14 | H20 | 63.1° | 64.7° |
| C11 | N1 | C14 | H21 | 177.1° | 174.7° |
| N1 | C11 | C12 | H27 | 62.7° | 169.0° |
| N1 | C11 | C12 | H28 | 177.4° | 70.5° |
| N1 | C11 | H29 | H30 | 119.9° | 120.5° |
| C12 | C11 | N1 | C10 | 90.3° | 124.8° |
| C12 | C11 | N1 | C14 | 58.8° | 55.0° |
| C11 | C12 | N2 | H27 | 120.0° | 119.8° |
| C11 | C12 | N2 | H28 | 120.1° | 119.8° |
| C11 | C12 | N2 | C15 | 121.7° | 125.0° |
| C11 | C12 | N2 | C13 | 57.3° | 55.1° |
| C11 | C12 | H27 | H28 | 119.9° | 120.5° |
| C12 | C11 | H29 | H30 | 120.0° | 120.2° |
| C7 | N | C10 | N1 | 174.7° | 170.3° |
| C7 | N | C10 | O | 10.7° | 9.7° |
| C7 | N | C8 | H16 | 91.4° | 79.3° |
| C7 | N | C8 | H17 | 146.7° | 158.3° |
| N | C7 | H18 | H19 | 123.1° | 122.5° |
| N | C10 | N1 | O | 174.4° | 180.0° |
| N | C10 | N1 | C14 | 161.9° | 169.2° |
| C10 | N | C8 | H16 | 90.4° | 100.8° |
| C10 | N | C8 | H17 | 31.4° | 21.6° |
| C10 | N | C7 | H18 | 16.6° | 21.7° |
| C10 | N | C7 | H19 | 105.5° | 100.8° |
| C27 | C28 | C29 | C30 | 2.8° | 0.3° |
| C28 | C27 | C32 | C33 | 169.8° | 179.7° |
| C28 | C27 | C32 | C31 | 3.2° | 0.6° |
| C27 | C28 | C29 | H4 | 177.2° | 179.8° |
| C28 | C27 | C26 | H7 | 35.6° | 29.9° |
| C28 | C27 | C26 | H8 | 155.9° | 150.0° |
| C29 | C28 | C27 | C32 | 0.0° | 0.5° |
| C28 | C29 | C30 | H4 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 2.4° | 0.0° |
| C28 | C29 | C30 | H5 | 177.7° | 180.0° |
| C27 | C32 | C33 | C31 | 173.2° | 179.7° |
| C27 | C32 | C33 | N3 | 148.0° | 18.0° |
| C27 | C32 | C31 | C30 | 3.7° | 0.3° |
| C27 | C32 | C31 | H6 | 176.3° | 179.7° |
| C32 | C27 | C26 | H7 | 149.0° | 150.3° |
| C32 | C27 | C26 | H8 | 28.7° | 30.2° |
| C10 | N1 | C14 | C13 | 94.0° | 124.8° |
| C10 | N1 | C14 | H20 | 145.9° | 115.5° |
| C10 | N1 | C14 | H21 | 26.0° | 5.1° |
| C10 | N1 | C11 | H29 | 29.7° | 5.1° |
| C10 | N1 | C11 | H30 | 149.7° | 115.5° |
| C14 | N1 | C10 | O | 12.5° | 10.8° |
| N1 | C14 | C13 | H20 | 120.1° | 119.8° |
| N1 | C14 | C13 | H21 | 120.1° | 119.7° |
| N1 | C14 | C13 | N2 | 54.0° | 49.5° |
| N1 | C14 | H20 | H21 | 119.8° | 120.5° |
| N1 | C14 | C13 | H22 | 174.1° | 169.2° |
| N1 | C14 | C13 | H23 | 66.2° | 70.5° |
| C14 | N1 | C11 | H29 | 178.9° | 174.7° |
| C14 | N1 | C11 | H30 | 61.2° | 64.7° |
| C17 | C22 | C21 | H10 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 2.6° | 0.1° |
| C22 | C17 | C18 | C19 | 5.2° | 0.5° |
| C17 | C22 | C21 | H11 | 177.4° | 179.9° |
| C22 | C17 | C18 | H13 | 174.8° | 179.7° |
| C21 | C22 | C17 | C18 | 6.6° | 0.2° |
| C22 | C21 | C20 | H11 | 180.0° | 179.8° |
| C22 | C21 | C20 | C19 | 2.7° | 0.1° |
| C22 | C21 | C20 | F | 174.9° | 180.0° |
| C17 | C18 | C19 | H13 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 0.0° | 0.4° |
| C18 | C17 | C22 | H10 | 173.4° | 179.8° |
| C17 | C18 | C19 | H12 | 179.9° | 179.7° |
| C12 | N2 | C15 | C16 | 3.1° | 0.1° |
| C12 | N2 | C13 | C14 | 55.6° | 55.3° |
| C12 | N2 | C15 | C13 | 178.9° | 179.9° |
| C12 | N2 | C15 | O1 | 174.8° | 180.0° |
| C12 | N2 | C13 | H22 | 175.8° | 175.0° |
| C12 | N2 | C13 | H23 | 64.5° | 64.6° |
| N2 | C12 | H27 | H28 | 119.9° | 120.3° |
| N2 | C12 | C11 | H29 | 177.3° | 169.0° |
| N2 | C12 | C11 | H30 | 62.7° | 70.6° |
| C16 | C15 | N2 | O1 | 177.9° | 179.9° |
| C16 | C15 | N2 | C13 | 175.8° | 180.0° |
| C15 | C16 | H24 | H25 | 120.0° | 120.0° |
| C15 | C16 | H24 | H26 | 120.0° | 120.0° |
| C15 | C16 | H25 | H26 | 119.9° | 119.9° |
| C29 | C30 | C31 | C32 | 0.8° | 0.1° |
| C29 | C30 | C31 | H5 | 180.0° | 180.0° |
| C29 | C30 | C31 | H6 | 179.2° | 180.0° |
| C14 | C13 | N2 | C15 | 123.4° | 124.8° |
| C14 | C13 | N2 | H22 | 120.1° | 119.8° |
| C14 | C13 | N2 | H23 | 120.1° | 119.9° |
| C13 | C14 | H20 | H21 | 119.8° | 120.4° |
| C14 | C13 | H22 | H23 | 119.6° | 120.4° |
| C33 | C32 | C31 | C30 | 169.6° | 180.0° |
| C33 | C32 | C31 | H6 | 10.5° | 0.1° |
| C31 | C32 | C33 | N3 | 25.2° | 161.6° |
| C32 | C31 | C30 | H6 | 180.0° | 179.9° |
| C32 | C31 | C30 | H5 | 179.2° | 179.9° |
| C15 | N2 | C13 | H22 | 3.3° | 5.1° |
| C15 | N2 | C13 | H23 | 116.4° | 115.3° |
| N2 | C15 | C16 | H24 | 177.8° | 60.0° |
| N2 | C15 | C16 | H25 | 57.8° | 180.0° |
| N2 | C15 | C16 | H26 | 62.1° | 60.1° |
| C15 | N2 | C12 | H27 | 118.3° | 5.1° |
| C15 | N2 | C12 | H28 | 1.6° | 115.3° |
| C13 | N2 | C15 | O1 | 6.3° | 0.0° |
| N2 | C13 | C14 | H20 | 66.1° | 70.3° |
| N2 | C13 | C14 | H21 | 174.0° | 169.2° |
| N2 | C13 | H22 | H23 | 119.6° | 120.5° |
| C13 | N2 | C12 | H27 | 62.7° | 175.0° |
| C13 | N2 | C12 | H28 | 177.4° | 64.6° |
| C21 | C20 | C19 | C18 | 4.0° | 0.1° |
| C21 | C20 | C19 | F | 177.6° | 179.8° |
| C20 | C21 | C22 | H10 | 177.4° | 179.9° |
| C21 | C20 | C19 | H12 | 176.0° | 180.0° |
| O1 | C15 | C16 | H24 | 0.0° | 120.0° |
| O1 | C15 | C16 | H25 | 120.0° | 0.0° |
| O1 | C15 | C16 | H26 | 120.0° | 120.0° |
| C18 | C19 | C20 | H12 | 180.0° | 179.9° |
| C18 | C19 | C20 | F | 173.6° | 179.7° |
| C31 | C30 | C29 | H4 | 177.6° | 180.0° |
| C19 | C20 | C21 | H11 | 177.3° | 180.0° |
| C20 | C19 | C18 | H13 | 179.9° | 179.8° |
| F | C20 | C21 | H11 | 5.1° | 0.2° |
| F | C20 | C19 | H12 | 6.5° | 0.2° |
| H1 | C2 | C3 | H2 | 0.4° | 0.0° |
| H3 | C5 | C | H9 | 0.3° | 0.4° |
| H4 | C29 | C30 | H5 | 2.4° | 0.0° |
| H5 | C30 | C31 | H6 | 0.8° | 0.0° |
| H10 | C22 | C21 | H11 | 2.6° | 0.1° |
| H12 | C19 | C18 | H13 | 0.1° | 0.1° |
| H14 | C9 | C8 | H16 | 122.6° | 24.0° |
| H14 | C9 | C8 | H17 | 0.8° | 98.4° |
| H15 | C9 | C8 | H16 | 2.3° | 146.2° |
| H15 | C9 | C8 | H17 | 119.5° | 23.8° |
| H20 | C14 | C13 | H22 | 54.0° | 49.4° |
| H20 | C14 | C13 | H23 | 173.8° | 169.7° |
| H21 | C14 | C13 | H22 | 65.8° | 71.1° |
| H21 | C14 | C13 | H23 | 53.9° | 49.2° |
| H24 | C16 | H25 | H26 | 120.0° | 120.1° |
| H27 | C12 | C11 | H29 | 57.3° | 71.2° |
| H27 | C12 | C11 | H30 | 177.3° | 49.2° |
| H28 | C12 | C11 | H29 | 62.6° | 49.3° |
| H28 | C12 | C11 | H30 | 57.4° | 169.6° |
