BVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C21 | sing | 1.48Å | 1.49Å | |
| C21 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C13 | sing | 1.48Å | 1.48Å | |
| C23 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| C19 | C7 | sing | 1.48Å | 1.48Å | |
| N1 | C31 | sing | 1.47Å | 1.48Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.77Å | |
| N2 | S1 | sing | 1.66Å | 1.60Å | |
| O1 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C29 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| C4 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| C8 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 120.1° | 120.2° |
| C3 | C4 | C5 | 119.8° | 120.2° |
| C3 | C4 | H20 | 120.2° | 119.9° |
| C4 | C3 | H21 | 120.0° | 119.9° |
| C3 | C2 | C1 | 121.1° | 119.9° |
| C2 | C3 | H21 | 119.9° | 119.9° |
| C3 | C2 | H22 | 119.5° | 120.1° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | H19 | 119.9° | 120.0° |
| C5 | C4 | H20 | 120.1° | 119.9° |
| C2 | C1 | C6 | 117.9° | 119.7° |
| C2 | C1 | C21 | 121.1° | 120.1° |
| C1 | C2 | H22 | 119.5° | 120.0° |
| C5 | C6 | C1 | 120.9° | 119.9° |
| C5 | C6 | H18 | 119.5° | 120.0° |
| C6 | C5 | H19 | 119.9° | 119.9° |
| C6 | C1 | C21 | 121.0° | 120.2° |
| C1 | C6 | H18 | 119.5° | 120.0° |
| C1 | C21 | C22 | 120.6° | 120.8° |
| C1 | C21 | C20 | 120.9° | 120.7° |
| C22 | C21 | C20 | 118.6° | 118.4° |
| C21 | C22 | C23 | 120.5° | 119.1° |
| C21 | C22 | H3 | 119.8° | 120.4° |
| C21 | C20 | C19 | 120.6° | 119.1° |
| C21 | C20 | H23 | 119.8° | 120.4° |
| C22 | C23 | C13 | 119.3° | 119.6° |
| C22 | C23 | N1 | 120.0° | 120.8° |
| C23 | C22 | H3 | 119.7° | 120.5° |
| C20 | C19 | N1 | 119.9° | 120.8° |
| C20 | C19 | C7 | 119.4° | 119.6° |
| C19 | C20 | H23 | 119.7° | 120.5° |
| C17 | C18 | C13 | 120.8° | 119.9° |
| C18 | C17 | C16 | 120.2° | 120.1° |
| C17 | C18 | H2 | 119.6° | 120.1° |
| C18 | C17 | H4 | 119.9° | 120.0° |
| C18 | C13 | C23 | 120.9° | 120.1° |
| C18 | C13 | C14 | 118.2° | 119.8° |
| C13 | C18 | H2 | 119.6° | 120.1° |
| C17 | C16 | C15 | 119.8° | 120.2° |
| C16 | C17 | H4 | 119.9° | 119.9° |
| C17 | C16 | H5 | 120.1° | 119.9° |
| C13 | C23 | N1 | 120.7° | 119.7° |
| C23 | C13 | C14 | 120.8° | 120.1° |
| C23 | N1 | C19 | 120.4° | 121.8° |
| C23 | N1 | C31 | 119.7° | 119.0° |
| C13 | C14 | C15 | 120.8° | 119.9° |
| C13 | C14 | H7 | 119.6° | 120.0° |
| N1 | C19 | C7 | 120.7° | 119.6° |
| C19 | N1 | C31 | 119.8° | 119.1° |
| C19 | C7 | C8 | 121.0° | 120.1° |
| C19 | C7 | C12 | 120.8° | 120.1° |
| N1 | C31 | C30 | 111.7° | 109.5° |
| N1 | C31 | H16 | 108.9° | 109.5° |
| N1 | C31 | H17 | 108.9° | 109.4° |
| C7 | C8 | C9 | 120.8° | 119.9° |
| C8 | C7 | C12 | 118.2° | 119.7° |
| C7 | C8 | H27 | 119.6° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.1° |
| C8 | C9 | H26 | 119.9° | 120.0° |
| C9 | C8 | H27 | 119.6° | 120.0° |
| C16 | C15 | C14 | 120.1° | 120.1° |
| C15 | C16 | H5 | 120.1° | 119.9° |
| C16 | C15 | H6 | 119.9° | 119.9° |
| C7 | C12 | C11 | 120.9° | 119.9° |
| C7 | C12 | H1 | 119.6° | 120.1° |
| C14 | C15 | H6 | 120.0° | 119.9° |
| C15 | C14 | H7 | 119.6° | 120.1° |
| C9 | C10 | C11 | 119.8° | 120.3° |
| C9 | C10 | H25 | 120.1° | 119.9° |
| C10 | C9 | H26 | 119.9° | 119.9° |
| C31 | C30 | C27 | 112.8° | 109.5° |
| C31 | C30 | H14 | 108.6° | 109.5° |
| C31 | C30 | H15 | 108.6° | 109.5° |
| C30 | C31 | H16 | 108.9° | 109.5° |
| C30 | C31 | H17 | 108.9° | 109.5° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C11 | C12 | H1 | 119.5° | 120.0° |
| C12 | C11 | H24 | 119.9° | 120.0° |
| C10 | C11 | H24 | 119.9° | 119.9° |
| C11 | C10 | H25 | 120.1° | 119.9° |
| C30 | C27 | C26 | 121.1° | 120.0° |
| C30 | C27 | C28 | 120.6° | 120.0° |
| C27 | C30 | H14 | 108.6° | 109.5° |
| C27 | C30 | H15 | 108.6° | 109.5° |
| C26 | C27 | C28 | 118.2° | 120.0° |
| C27 | C26 | C25 | 121.3° | 120.0° |
| C27 | C26 | H13 | 119.4° | 120.0° |
| C27 | C28 | C29 | 121.4° | 120.0° |
| C27 | C28 | H8 | 119.3° | 120.0° |
| C26 | C25 | C24 | 119.3° | 120.0° |
| C26 | C25 | H12 | 120.3° | 120.0° |
| C25 | C26 | H13 | 119.3° | 120.0° |
| C28 | C29 | C24 | 119.5° | 120.0° |
| C29 | C28 | H8 | 119.3° | 120.0° |
| C28 | C29 | H9 | 120.3° | 120.0° |
| C25 | C24 | C29 | 120.3° | 120.0° |
| C25 | C24 | S1 | 120.3° | 120.0° |
| C24 | C25 | H12 | 120.3° | 120.0° |
| C29 | C24 | S1 | 119.4° | 120.0° |
| C24 | C29 | H9 | 120.2° | 120.0° |
| C24 | S1 | N2 | 108.6° | 107.2° |
| C24 | S1 | O1 | 107.8° | 106.4° |
| C24 | S1 | O2 | 106.6° | 106.4° |
| N2 | S1 | O1 | 107.9° | 106.4° |
| N2 | S1 | O2 | 107.7° | 106.4° |
| S1 | N2 | H10 | 109.5° | 120.0° |
| S1 | N2 | H11 | 109.4° | 120.0° |
| O1 | S1 | O2 | 118.0° | 123.2° |
| H10 | N2 | H11 | 109.4° | 120.0° |
| H14 | C30 | H15 | 109.5° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H21 | 180.0° | 179.7° |
| C3 | C4 | C5 | H20 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.6° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | H19 | 180.0° | 179.9° |
| C4 | C3 | C2 | H22 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| C3 | C2 | C1 | H22 | 180.0° | 179.4° |
| C3 | C2 | C1 | C6 | 0.1° | 0.5° |
| C3 | C2 | C1 | C21 | 179.8° | 179.7° |
| C2 | C3 | C4 | H20 | 180.0° | 179.7° |
| C4 | C5 | C6 | H19 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C4 | C5 | C6 | H18 | 180.0° | 180.0° |
| C5 | C4 | C3 | H21 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.3° |
| C2 | C1 | C6 | C21 | 179.7° | 179.7° |
| C2 | C1 | C21 | C22 | 53.6° | 0.2° |
| C2 | C1 | C21 | C20 | 125.8° | 179.7° |
| C2 | C1 | C6 | H18 | 180.0° | 179.8° |
| C1 | C2 | C3 | H21 | 180.0° | 179.7° |
| C5 | C6 | C1 | H18 | 180.0° | 180.0° |
| C5 | C6 | C1 | C21 | 179.8° | 180.0° |
| C6 | C5 | C4 | H20 | 180.0° | 180.0° |
| C6 | C1 | C21 | C22 | 126.6° | 180.0° |
| C6 | C1 | C21 | C20 | 53.9° | 0.0° |
| C1 | C6 | C5 | H19 | 180.0° | 179.9° |
| C6 | C1 | C2 | H22 | 180.0° | 180.0° |
| C1 | C21 | C22 | C20 | 179.5° | 180.0° |
| C1 | C21 | C22 | C23 | 179.2° | 179.9° |
| C1 | C21 | C20 | C19 | 179.2° | 180.0° |
| C1 | C21 | C22 | H3 | 0.8° | 0.4° |
| C21 | C1 | C6 | H18 | 0.3° | 0.0° |
| C21 | C1 | C2 | H22 | 0.2° | 0.3° |
| C1 | C21 | C20 | H23 | 0.7° | 0.0° |
| C21 | C22 | C23 | H3 | 180.0° | 179.6° |
| C22 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | C22 | C23 | C13 | 178.8° | 179.7° |
| C21 | C22 | C23 | N1 | 0.2° | 0.3° |
| C22 | C21 | C20 | H23 | 179.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.1° |
| C21 | C20 | C19 | H23 | 180.0° | 180.0° |
| C21 | C20 | C19 | N1 | 0.3° | 0.2° |
| C21 | C20 | C19 | C7 | 178.2° | 179.9° |
| C20 | C21 | C22 | H3 | 179.7° | 179.7° |
| C22 | C23 | C13 | C18 | 85.9° | 149.7° |
| C22 | C23 | C13 | N1 | 179.0° | 180.0° |
| C22 | C23 | C13 | C14 | 91.4° | 30.6° |
| C22 | C23 | N1 | C19 | 0.7° | 0.6° |
| C22 | C23 | N1 | C31 | 175.7° | 180.0° |
| C20 | C19 | N1 | C23 | 0.8° | 0.5° |
| C20 | C19 | N1 | C7 | 178.5° | 179.8° |
| C20 | C19 | N1 | C31 | 175.6° | 180.0° |
| C20 | C19 | C7 | C8 | 87.7° | 16.8° |
| C20 | C19 | C7 | C12 | 90.3° | 163.1° |
| C17 | C18 | C13 | H2 | 180.0° | 180.0° |
| C18 | C17 | C16 | H4 | 180.0° | 179.9° |
| C17 | C18 | C13 | C23 | 177.1° | 179.7° |
| C17 | C18 | C13 | C14 | 0.2° | 0.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.1° |
| C18 | C17 | C16 | H5 | 179.9° | 180.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.1° |
| C18 | C13 | C23 | C14 | 177.3° | 179.7° |
| C18 | C13 | C23 | N1 | 95.2° | 30.2° |
| C18 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C18 | C17 | H4 | 180.0° | 180.0° |
| C18 | C13 | C14 | H7 | 179.8° | 180.0° |
| C17 | C16 | C15 | H5 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C16 | C17 | C18 | H2 | 180.0° | 180.0° |
| C17 | C16 | C15 | H6 | 179.9° | 180.0° |
| C13 | C23 | N1 | C19 | 178.2° | 179.5° |
| C13 | C23 | N1 | C31 | 5.4° | 0.0° |
| C23 | C13 | C14 | C15 | 177.1° | 179.7° |
| C23 | C13 | C18 | H2 | 2.9° | 0.3° |
| C13 | C23 | C22 | H3 | 1.2° | 0.1° |
| C23 | C13 | C14 | H7 | 2.9° | 0.3° |
| N1 | C23 | C13 | C14 | 87.6° | 149.5° |
| C23 | N1 | C19 | C31 | 176.4° | 179.5° |
| C23 | N1 | C19 | C7 | 177.7° | 179.7° |
| C23 | N1 | C31 | C30 | 102.0° | 94.8° |
| N1 | C23 | C22 | H3 | 179.8° | 179.9° |
| C23 | N1 | C31 | H16 | 137.7° | 25.2° |
| C23 | N1 | C31 | H17 | 18.4° | 145.2° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C14 | C13 | C18 | H2 | 179.8° | 180.0° |
| C13 | C14 | C15 | H6 | 179.9° | 180.0° |
| N1 | C19 | C7 | C8 | 93.9° | 163.4° |
| N1 | C19 | C7 | C12 | 88.2° | 16.7° |
| C19 | N1 | C31 | C30 | 81.6° | 85.7° |
| C19 | N1 | C31 | H16 | 38.7° | 154.3° |
| C19 | N1 | C31 | H17 | 158.1° | 34.3° |
| N1 | C19 | C20 | H23 | 179.7° | 179.8° |
| C7 | C19 | N1 | C31 | 5.9° | 0.2° |
| C19 | C7 | C8 | C12 | 178.0° | 179.9° |
| C19 | C7 | C8 | C9 | 177.8° | 179.5° |
| C19 | C7 | C12 | C11 | 177.8° | 180.0° |
| C19 | C7 | C12 | H1 | 2.2° | 0.4° |
| C7 | C19 | C20 | H23 | 1.8° | 0.1° |
| C19 | C7 | C8 | H27 | 2.2° | 0.0° |
| N1 | C31 | C30 | H16 | 120.3° | 120.1° |
| N1 | C31 | C30 | H17 | 120.3° | 119.9° |
| N1 | C31 | C30 | C27 | 117.9° | 173.3° |
| N1 | C31 | C30 | H14 | 2.6° | 66.7° |
| N1 | C31 | C30 | H15 | 121.6° | 53.2° |
| N1 | C31 | H16 | H17 | 119.0° | 119.9° |
| C7 | C8 | C9 | H27 | 180.0° | 179.5° |
| C7 | C8 | C9 | C10 | 0.1° | 0.7° |
| C8 | C7 | C12 | C11 | 0.2° | 0.1° |
| C8 | C7 | C12 | H1 | 179.8° | 179.8° |
| C7 | C8 | C9 | H26 | 179.9° | 179.8° |
| C9 | C8 | C7 | C12 | 0.2° | 0.4° |
| C8 | C9 | C10 | H26 | 180.0° | 179.5° |
| C8 | C9 | C10 | C11 | 0.0° | 0.5° |
| C8 | C9 | C10 | H25 | 180.0° | 179.6° |
| C16 | C15 | C14 | H6 | 180.0° | 180.0° |
| C15 | C16 | C17 | H4 | 179.9° | 180.0° |
| C16 | C15 | C14 | H7 | 179.9° | 180.0° |
| C7 | C12 | C11 | H1 | 180.0° | 179.6° |
| C7 | C12 | C11 | C10 | 0.1° | 0.3° |
| C7 | C12 | C11 | H24 | 179.9° | 179.7° |
| C12 | C7 | C8 | H27 | 179.8° | 179.9° |
| C14 | C15 | C16 | H5 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.1° |
| C9 | C10 | C11 | H25 | 180.0° | 179.9° |
| C9 | C10 | C11 | H24 | 180.0° | 180.0° |
| C10 | C9 | C8 | H27 | 179.9° | 179.8° |
| C31 | C30 | C27 | H14 | 120.5° | 120.0° |
| C31 | C30 | C27 | H15 | 120.5° | 120.0° |
| C31 | C30 | C27 | C26 | 59.3° | 90.0° |
| C31 | C30 | C27 | C28 | 120.3° | 90.6° |
| C31 | C30 | H14 | H15 | 118.5° | 120.0° |
| C30 | C31 | H16 | H17 | 119.0° | 120.0° |
| C12 | C11 | C10 | H24 | 180.0° | 180.0° |
| C12 | C11 | C10 | H25 | 180.0° | 179.9° |
| C10 | C11 | C12 | H1 | 179.9° | 179.9° |
| C11 | C10 | C9 | H26 | 180.0° | 180.0° |
| C30 | C27 | C26 | C28 | 179.6° | 179.4° |
| C30 | C27 | C26 | C25 | 179.2° | 180.0° |
| C30 | C27 | C28 | C29 | 179.1° | 180.0° |
| C30 | C27 | C28 | H8 | 0.9° | 0.3° |
| C30 | C27 | C26 | H13 | 0.8° | 0.3° |
| C27 | C30 | H14 | H15 | 118.5° | 120.0° |
| C27 | C30 | C31 | H16 | 121.8° | 53.2° |
| C27 | C30 | C31 | H17 | 2.4° | 66.8° |
| C27 | C26 | C25 | H13 | 180.0° | 179.6° |
| C26 | C27 | C28 | C29 | 0.5° | 0.6° |
| C27 | C26 | C25 | C24 | 0.0° | 0.3° |
| C26 | C27 | C28 | H8 | 179.5° | 179.7° |
| C27 | C26 | C25 | H12 | 180.0° | 179.7° |
| C26 | C27 | C30 | H14 | 179.8° | 150.0° |
| C26 | C27 | C30 | H15 | 61.2° | 30.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.6° |
| C27 | C28 | C29 | H8 | 180.0° | 179.7° |
| C27 | C28 | C29 | C24 | 0.2° | 0.3° |
| C27 | C28 | C29 | H9 | 179.8° | 179.7° |
| C28 | C27 | C26 | H13 | 179.7° | 179.7° |
| C28 | C27 | C30 | H14 | 0.2° | 29.4° |
| C28 | C27 | C30 | H15 | 119.3° | 149.4° |
| C26 | C25 | C24 | H12 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.3° | 0.0° |
| C26 | C25 | C24 | S1 | 179.6° | 179.9° |
| C28 | C29 | C24 | C25 | 0.2° | 0.0° |
| C28 | C29 | C24 | H9 | 180.0° | 179.9° |
| C28 | C29 | C24 | S1 | 179.7° | 180.0° |
| C25 | C24 | C29 | S1 | 179.9° | 179.9° |
| C25 | C24 | S1 | N2 | 130.6° | 90.0° |
| C25 | C24 | S1 | O1 | 14.0° | 156.5° |
| C25 | C24 | S1 | O2 | 113.6° | 23.5° |
| C25 | C24 | C29 | H9 | 179.8° | 180.0° |
| C24 | C25 | C26 | H13 | 180.0° | 180.0° |
| C29 | C24 | S1 | N2 | 49.2° | 90.0° |
| C29 | C24 | S1 | O1 | 165.8° | 23.5° |
| C29 | C24 | S1 | O2 | 66.6° | 156.4° |
| C24 | C29 | C28 | H8 | 179.8° | 180.0° |
| C29 | C24 | C25 | H12 | 179.7° | 180.0° |
| C24 | S1 | N2 | O1 | 116.5° | 113.5° |
| C24 | S1 | N2 | O2 | 115.1° | 113.6° |
| C24 | S1 | O1 | O2 | 120.7° | 123.0° |
| S1 | C24 | C29 | H9 | 0.3° | 0.1° |
| C24 | S1 | N2 | H10 | 180.0° | 150.0° |
| C24 | S1 | N2 | H11 | 60.0° | 30.0° |
| S1 | C24 | C25 | H12 | 0.4° | 0.0° |
| N2 | S1 | O1 | O2 | 122.2° | 122.9° |
| S1 | N2 | H10 | H11 | 120.0° | 180.0° |
| O1 | S1 | N2 | H10 | 63.4° | 96.4° |
| O1 | S1 | N2 | H11 | 56.6° | 83.6° |
| O2 | S1 | N2 | H10 | 64.9° | 36.5° |
| O2 | S1 | N2 | H11 | 175.1° | 143.5° |
| H1 | C12 | C11 | H24 | 0.1° | 0.0° |
| H2 | C18 | C17 | H4 | 0.0° | 0.1° |
| H4 | C17 | C16 | H5 | 0.1° | 0.1° |
| H5 | C16 | C15 | H6 | 0.1° | 0.0° |
| H6 | C15 | C14 | H7 | 0.1° | 0.0° |
| H8 | C28 | C29 | H9 | 0.2° | 0.0° |
| H12 | C25 | C26 | H13 | 0.0° | 0.1° |
| H14 | C30 | C31 | H16 | 117.8° | 173.2° |
| H14 | C30 | C31 | H17 | 122.9° | 53.2° |
| H15 | C30 | C31 | H16 | 1.3° | 66.8° |
| H15 | C30 | C31 | H17 | 118.0° | 173.1° |
| H18 | C6 | C5 | H19 | 0.0° | 0.1° |
| H19 | C5 | C4 | H20 | 0.0° | 0.1° |
| H20 | C4 | C3 | H21 | 0.0° | 0.0° |
| H21 | C3 | C2 | H22 | 0.0° | 0.3° |
| H24 | C11 | C10 | H25 | 0.0° | 0.1° |
| H25 | C10 | C9 | H26 | 0.0° | 0.1° |
| H26 | C9 | C8 | H27 | 0.1° | 0.3° |
