FI1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C1 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| C2 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C3 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.42Å | 1.42Å | Aromatic |
| C9 | S38 | sing | 1.76Å | 1.70Å | |
| C10 | CL39 | sing | 1.74Å | 1.71Å | |
| C11 | C12 | doub | 1.36Å | 1.36Å | |
| C11 | C13 | sing | 1.40Å | 1.43Å | |
| C12 | C15 | sing | 1.40Å | 1.47Å | |
| C13 | C14 | doub | 1.36Å | 1.38Å | |
| C14 | C25 | sing | 1.51Å | 1.50Å | |
| C14 | N29 | sing | 1.35Å | 1.38Å | |
| C15 | N29 | sing | 1.36Å | 1.43Å | |
| C15 | O33 | doub | 1.22Å | 1.25Å | |
| C16 | C26 | sing | 1.50Å | 1.55Å | |
| C16 | N30 | sing | 1.33Å | 1.38Å | |
| C16 | O34 | doub | 1.21Å | 1.23Å | |
| C17 | C28 | sing | 1.51Å | 1.53Å | |
| C17 | N31 | sing | 1.35Å | 1.40Å | |
| C17 | O35 | doub | 1.21Å | 1.25Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C26 | sing | 1.53Å | 1.55Å | |
| C20 | C25 | sing | 1.53Å | 1.52Å | |
| C20 | C27 | sing | 1.53Å | 1.52Å | |
| C21 | N30 | sing | 1.46Å | 1.44Å | |
| C22 | C25 | sing | 1.54Å | 1.53Å | |
| C22 | N31 | sing | 1.47Å | 1.45Å | |
| C23 | C27 | sing | 1.52Å | 1.54Å | |
| C23 | N29 | sing | 1.46Å | 1.46Å | |
| C24 | C27 | sing | 1.52Å | 1.54Å | |
| C24 | N31 | sing | 1.47Å | 1.43Å | |
| C26 | N32 | sing | 1.46Å | 1.44Å | |
| C28 | N30 | sing | 1.47Å | 1.44Å | |
| N32 | S38 | sing | 1.66Å | 1.63Å | |
| O36 | S38 | doub | 1.42Å | 1.41Å | |
| O37 | S38 | doub | 1.42Å | 1.40Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C8 | 120.9° | 119.6° |
| C1 | C3 | C9 | 121.2° | 121.0° |
| C3 | C1 | H1 | 119.6° | 120.2° |
| C1 | C3 | H3 | 119.4° | 119.5° |
| C1 | C8 | C6 | 122.5° | 121.3° |
| C1 | C8 | C7 | 118.5° | 119.4° |
| C8 | C1 | H1 | 119.5° | 120.2° |
| C4 | C2 | C7 | 121.1° | 119.6° |
| C2 | C4 | C10 | 119.8° | 121.0° |
| C4 | C2 | H2 | 119.5° | 120.2° |
| C2 | C4 | H4 | 120.1° | 119.5° |
| C2 | C7 | C5 | 121.1° | 121.3° |
| C2 | C7 | C8 | 119.3° | 119.4° |
| C7 | C2 | H2 | 119.4° | 120.2° |
| C3 | C9 | C5 | 118.1° | 121.0° |
| C3 | C9 | S38 | 122.0° | 119.5° |
| C9 | C3 | H3 | 119.4° | 119.5° |
| C4 | C10 | C6 | 120.0° | 120.9° |
| C4 | C10 | CL39 | 117.8° | 119.6° |
| C10 | C4 | H4 | 120.1° | 119.5° |
| C7 | C5 | C9 | 121.8° | 119.7° |
| C5 | C7 | C8 | 119.5° | 119.3° |
| C7 | C5 | H5 | 119.1° | 120.2° |
| C5 | C9 | S38 | 119.9° | 119.5° |
| C9 | C5 | H5 | 119.1° | 120.2° |
| C8 | C6 | C10 | 120.8° | 119.7° |
| C6 | C8 | C7 | 119.0° | 119.3° |
| C8 | C6 | H6 | 119.6° | 120.2° |
| C6 | C10 | CL39 | 122.1° | 119.5° |
| C10 | C6 | H6 | 119.6° | 120.1° |
| C9 | S38 | N32 | 105.6° | 107.2° |
| C9 | S38 | O36 | 107.3° | 106.4° |
| C9 | S38 | O37 | 109.2° | 106.4° |
| C12 | C11 | C13 | 119.6° | 118.8° |
| C11 | C12 | C15 | 121.3° | 119.1° |
| C12 | C11 | H11 | 120.2° | 120.6° |
| C11 | C12 | H12 | 119.3° | 120.4° |
| C11 | C13 | C14 | 120.0° | 120.6° |
| C13 | C11 | H11 | 120.2° | 120.6° |
| C11 | C13 | H13 | 120.0° | 119.7° |
| C12 | C15 | N29 | 117.2° | 120.6° |
| C12 | C15 | O33 | 124.2° | 119.7° |
| C15 | C12 | H12 | 119.3° | 120.4° |
| C13 | C14 | C25 | 119.0° | 117.4° |
| C13 | C14 | N29 | 122.0° | 120.4° |
| C14 | C13 | H13 | 120.0° | 119.7° |
| C25 | C14 | N29 | 118.9° | 122.1° |
| C14 | C25 | C20 | 112.2° | 109.7° |
| C14 | C25 | C22 | 103.5° | 107.7° |
| C14 | C25 | H25 | 111.8° | 110.2° |
| C14 | N29 | C15 | 119.8° | 119.9° |
| C14 | N29 | C23 | 122.4° | 123.1° |
| N29 | C15 | O33 | 118.5° | 119.7° |
| C15 | N29 | C23 | 117.8° | 117.0° |
| C26 | C16 | N30 | 121.2° | 123.5° |
| C26 | C16 | O34 | 120.8° | 118.3° |
| C16 | C26 | C19 | 111.0° | 109.9° |
| C16 | C26 | N32 | 111.8° | 109.4° |
| C16 | C26 | H26 | 108.9° | 109.4° |
| N30 | C16 | O34 | 118.0° | 118.2° |
| C16 | N30 | C21 | 123.7° | 124.1° |
| C16 | N30 | C28 | 119.4° | 117.9° |
| C28 | C17 | N31 | 121.8° | 119.9° |
| C28 | C17 | O35 | 119.1° | 120.0° |
| C17 | C28 | N30 | 106.7° | 109.4° |
| C17 | C28 | H28 | 110.4° | 109.5° |
| C17 | C28 | H28A | 110.4° | 109.4° |
| N31 | C17 | O35 | 119.2° | 120.0° |
| C17 | N31 | C22 | 121.9° | 120.8° |
| C17 | N31 | C24 | 123.1° | 120.7° |
| C19 | C18 | C21 | 112.6° | 108.7° |
| C18 | C19 | C26 | 109.1° | 108.4° |
| C19 | C18 | H18 | 108.4° | 109.6° |
| C19 | C18 | H18A | 108.5° | 109.6° |
| C18 | C19 | H19 | 109.6° | 109.7° |
| C18 | C19 | H19A | 109.6° | 109.7° |
| C18 | C21 | N30 | 114.7° | 110.4° |
| C21 | C18 | H18 | 108.5° | 109.6° |
| C21 | C18 | H18A | 108.5° | 109.6° |
| C18 | C21 | H21 | 107.8° | 109.3° |
| C18 | C21 | H21A | 107.8° | 109.3° |
| C19 | C26 | N32 | 115.0° | 109.5° |
| C26 | C19 | H19 | 109.6° | 109.6° |
| C26 | C19 | H19A | 109.6° | 109.7° |
| C19 | C26 | H26 | 105.3° | 109.4° |
| C25 | C20 | C27 | 108.2° | 108.4° |
| C20 | C25 | C22 | 109.9° | 108.3° |
| C25 | C20 | H20 | 109.9° | 109.7° |
| C25 | C20 | H20A | 109.9° | 109.7° |
| C20 | C25 | H25 | 105.7° | 110.1° |
| C20 | C27 | C23 | 108.2° | 109.9° |
| C20 | C27 | C24 | 110.9° | 111.0° |
| C27 | C20 | H20 | 109.9° | 109.6° |
| C27 | C20 | H20A | 109.9° | 109.7° |
| C20 | C27 | H27 | 109.8° | 108.1° |
| C21 | N30 | C28 | 116.8° | 117.9° |
| N30 | C21 | H21 | 107.8° | 109.3° |
| N30 | C21 | H21A | 107.8° | 109.3° |
| C25 | C22 | N31 | 109.3° | 107.4° |
| C25 | C22 | H22 | 109.5° | 109.9° |
| C25 | C22 | H22A | 109.5° | 109.9° |
| C22 | C25 | H25 | 114.0° | 110.8° |
| C22 | N31 | C24 | 114.9° | 118.5° |
| N31 | C22 | H22 | 109.5° | 109.9° |
| N31 | C22 | H22A | 109.5° | 109.9° |
| C27 | C23 | N29 | 117.3° | 112.5° |
| C23 | C27 | C24 | 110.4° | 112.0° |
| C27 | C23 | H23 | 107.0° | 108.9° |
| C27 | C23 | H23A | 107.0° | 108.9° |
| C23 | C27 | H27 | 110.2° | 108.1° |
| N29 | C23 | H23 | 107.0° | 108.9° |
| N29 | C23 | H23A | 106.9° | 108.9° |
| C27 | C24 | N31 | 105.8° | 110.2° |
| C27 | C24 | H24 | 110.7° | 109.4° |
| C27 | C24 | H24A | 110.7° | 109.3° |
| C24 | C27 | H27 | 107.5° | 107.5° |
| N31 | C24 | H24 | 110.7° | 109.3° |
| N31 | C24 | H24A | 110.7° | 109.3° |
| C26 | N32 | S38 | 122.6° | 120.0° |
| N32 | C26 | H26 | 104.3° | 109.3° |
| C26 | N32 | HN32 | 105.3° | 120.0° |
| N30 | C28 | H28 | 110.4° | 109.5° |
| N30 | C28 | H28A | 110.4° | 109.4° |
| N32 | S38 | O36 | 111.7° | 106.4° |
| N32 | S38 | O37 | 106.4° | 106.4° |
| S38 | N32 | HN32 | 105.3° | 120.0° |
| O36 | S38 | O37 | 116.1° | 123.1° |
| H18 | C18 | H18A | 110.5° | 109.7° |
| H19 | C19 | H19A | 109.3° | 109.6° |
| H20 | C20 | H20A | 109.0° | 109.7° |
| H21 | C21 | H21A | 111.1° | 109.2° |
| H22 | C22 | H22A | 109.4° | 109.9° |
| H23 | C23 | H23A | 111.9° | 108.7° |
| H24 | C24 | H24A | 108.2° | 109.3° |
| H28 | C28 | H28A | 108.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C8 | H1 | 180.0° | 179.8° |
| C1 | C3 | C9 | H3 | 180.0° | 180.0° |
| C1 | C3 | C9 | C5 | 0.2° | 0.0° |
| C3 | C1 | C8 | C6 | 180.0° | 180.0° |
| C3 | C1 | C8 | C7 | 1.2° | 0.0° |
| C1 | C3 | C9 | S38 | 179.3° | 180.0° |
| C1 | C8 | C7 | C2 | 179.6° | 180.0° |
| C8 | C1 | C3 | C9 | 1.0° | 0.0° |
| C1 | C8 | C7 | C5 | 0.6° | 0.0° |
| C1 | C8 | C6 | C7 | 178.8° | 180.0° |
| C1 | C8 | C6 | C10 | 179.2° | 180.0° |
| C8 | C1 | C3 | H3 | 179.0° | 180.0° |
| C1 | C8 | C6 | H6 | 0.8° | 0.0° |
| C4 | C2 | C7 | H2 | 180.0° | 179.9° |
| C2 | C4 | C10 | H4 | 180.0° | 179.9° |
| C4 | C2 | C7 | C5 | 179.8° | 180.0° |
| C2 | C4 | C10 | C6 | 0.5° | 0.1° |
| C4 | C2 | C7 | C8 | 0.4° | 0.0° |
| C2 | C4 | C10 | CL39 | 179.4° | 180.0° |
| C7 | C2 | C4 | C10 | 0.2° | 0.0° |
| C2 | C7 | C5 | C8 | 179.8° | 180.0° |
| C2 | C7 | C5 | C9 | 179.6° | 180.0° |
| C2 | C7 | C8 | C6 | 0.7° | 0.0° |
| C7 | C2 | C4 | H4 | 179.8° | 179.9° |
| C2 | C7 | C5 | H5 | 0.4° | 0.0° |
| C3 | C9 | C5 | C7 | 0.4° | 0.0° |
| C3 | C9 | C5 | S38 | 179.4° | 180.0° |
| C3 | C9 | S38 | N32 | 60.5° | 90.0° |
| C3 | C9 | S38 | O36 | 179.8° | 156.5° |
| C3 | C9 | S38 | O37 | 53.5° | 23.6° |
| C9 | C3 | C1 | H1 | 179.0° | 179.8° |
| C3 | C9 | C5 | H5 | 179.6° | 180.0° |
| C4 | C10 | C6 | C8 | 0.2° | 0.0° |
| C4 | C10 | C6 | CL39 | 179.9° | 180.0° |
| C10 | C4 | C2 | H2 | 179.8° | 179.9° |
| C4 | C10 | C6 | H6 | 179.7° | 179.9° |
| C7 | C5 | C9 | H5 | 180.0° | 180.0° |
| C5 | C7 | C8 | C6 | 179.5° | 180.0° |
| C7 | C5 | C9 | S38 | 179.8° | 180.0° |
| C5 | C7 | C2 | H2 | 0.2° | 0.0° |
| C9 | C5 | C7 | C8 | 0.2° | 0.0° |
| C5 | C9 | S38 | N32 | 118.9° | 90.0° |
| C5 | C9 | S38 | O36 | 0.4° | 23.6° |
| C5 | C9 | S38 | O37 | 127.1° | 156.5° |
| C5 | C9 | C3 | H3 | 179.8° | 180.0° |
| C8 | C6 | C10 | H6 | 180.0° | 180.0° |
| C8 | C6 | C10 | CL39 | 179.6° | 180.0° |
| C6 | C8 | C1 | H1 | 0.0° | 0.3° |
| C10 | C6 | C8 | C7 | 0.4° | 0.0° |
| C6 | C10 | C4 | H4 | 179.5° | 179.9° |
| C7 | C8 | C1 | H1 | 178.8° | 179.7° |
| C8 | C7 | C2 | H2 | 179.6° | 179.9° |
| C8 | C7 | C5 | H5 | 179.8° | 180.0° |
| C7 | C8 | C6 | H6 | 179.7° | 180.0° |
| C9 | S38 | N32 | C26 | 65.9° | 65.0° |
| C9 | S38 | N32 | O36 | 116.3° | 113.6° |
| C9 | S38 | N32 | O37 | 116.0° | 113.5° |
| C9 | S38 | O36 | O37 | 122.5° | 122.9° |
| S38 | C9 | C3 | H3 | 0.8° | 0.0° |
| S38 | C9 | C5 | H5 | 0.2° | 0.0° |
| C9 | S38 | N32 | HN32 | 54.1° | 115.0° |
| CL39 | C10 | C4 | H4 | 0.6° | 0.1° |
| CL39 | C10 | C6 | H6 | 0.4° | 0.0° |
| C12 | C11 | C13 | H11 | 180.0° | 179.8° |
| C11 | C12 | C15 | H12 | 180.0° | 180.0° |
| C12 | C11 | C13 | C14 | 0.4° | 1.7° |
| C11 | C12 | C15 | N29 | 0.0° | 3.9° |
| C11 | C12 | C15 | O33 | 179.9° | 176.1° |
| C12 | C11 | C13 | H13 | 179.6° | 178.4° |
| C13 | C11 | C12 | C15 | 0.1° | 1.1° |
| C11 | C13 | C14 | H13 | 180.0° | 179.9° |
| C11 | C13 | C14 | C25 | 178.4° | 176.5° |
| C11 | C13 | C14 | N29 | 1.1° | 2.7° |
| C13 | C11 | C12 | H12 | 179.9° | 178.9° |
| C12 | C15 | N29 | C14 | 0.6° | 8.3° |
| C12 | C15 | N29 | O33 | 180.0° | 180.0° |
| C12 | C15 | N29 | C23 | 180.0° | 169.0° |
| C15 | C12 | C11 | H11 | 179.9° | 178.7° |
| C13 | C14 | C25 | N29 | 177.3° | 179.2° |
| C13 | C14 | N29 | C15 | 1.2° | 7.7° |
| C13 | C14 | C25 | C20 | 154.1° | 153.2° |
| C13 | C14 | C25 | C22 | 87.5° | 89.1° |
| C13 | C14 | N29 | C23 | 179.4° | 169.5° |
| C14 | C13 | C11 | H11 | 179.6° | 178.1° |
| C13 | C14 | C25 | H25 | 35.7° | 31.8° |
| C25 | C14 | N29 | C15 | 178.5° | 171.5° |
| C14 | C25 | C20 | C22 | 114.5° | 117.3° |
| C14 | C25 | C20 | H25 | 122.0° | 121.4° |
| C14 | C25 | C20 | C27 | 59.0° | 53.1° |
| C14 | C25 | C22 | H25 | 121.6° | 120.5° |
| C14 | C25 | C22 | N31 | 64.7° | 59.0° |
| C25 | C14 | N29 | C23 | 2.2° | 11.4° |
| C25 | C14 | C13 | H13 | 1.6° | 3.6° |
| C14 | C25 | C20 | H20 | 61.0° | 66.6° |
| C14 | C25 | C20 | H20A | 179.0° | 172.9° |
| C14 | C25 | C22 | H22 | 175.3° | 178.4° |
| C14 | C25 | C22 | H22A | 55.3° | 60.5° |
| C14 | N29 | C15 | C23 | 179.4° | 177.3° |
| C14 | N29 | C15 | O33 | 179.4° | 171.7° |
| N29 | C14 | C25 | C20 | 28.5° | 27.6° |
| N29 | C14 | C25 | C22 | 89.9° | 90.1° |
| C14 | N29 | C23 | C27 | 7.1° | 20.9° |
| N29 | C14 | C13 | H13 | 178.9° | 177.2° |
| C14 | N29 | C23 | H23 | 112.9° | 99.9° |
| C14 | N29 | C23 | H23A | 127.1° | 141.7° |
| N29 | C14 | C25 | H25 | 147.0° | 149.0° |
| C15 | N29 | C23 | C27 | 173.5° | 161.9° |
| N29 | C15 | C12 | H12 | 180.0° | 176.1° |
| C15 | N29 | C23 | H23 | 66.4° | 77.3° |
| C15 | N29 | C23 | H23A | 53.5° | 41.1° |
| O33 | C15 | N29 | C23 | 0.0° | 11.0° |
| O33 | C15 | C12 | H12 | 0.1° | 3.9° |
| C26 | C16 | N30 | O34 | 179.5° | 179.7° |
| C16 | C26 | C19 | C18 | 48.8° | 48.9° |
| C16 | C26 | C19 | N32 | 128.2° | 120.1° |
| C16 | C26 | C19 | H26 | 117.6° | 120.1° |
| C26 | C16 | N30 | C21 | 4.6° | 2.3° |
| C16 | C26 | N32 | H26 | 117.5° | 119.7° |
| C26 | C16 | N30 | C28 | 172.8° | 177.8° |
| C16 | C26 | N32 | S38 | 120.1° | 95.0° |
| C16 | C26 | C19 | H19 | 168.8° | 70.9° |
| C16 | C26 | C19 | H19A | 71.2° | 168.7° |
| C16 | C26 | N32 | HN32 | 0.1° | 85.1° |
| C16 | N30 | C28 | C17 | 97.7° | 90.0° |
| C16 | N30 | C21 | C18 | 5.7° | 19.1° |
| N30 | C16 | C26 | C19 | 17.8° | 17.5° |
| C16 | N30 | C21 | C28 | 177.5° | 179.9° |
| N30 | C16 | C26 | N32 | 112.1° | 137.7° |
| C16 | N30 | C21 | H21 | 114.3° | 139.4° |
| C16 | N30 | C21 | H21A | 125.7° | 101.2° |
| N30 | C16 | C26 | H26 | 133.2° | 102.6° |
| C16 | N30 | C28 | H28 | 22.3° | 30.0° |
| C16 | N30 | C28 | H28A | 142.3° | 150.0° |
| O34 | C16 | C26 | C19 | 161.7° | 162.1° |
| O34 | C16 | N30 | C21 | 175.8° | 177.4° |
| O34 | C16 | C26 | N32 | 68.4° | 41.9° |
| O34 | C16 | N30 | C28 | 6.7° | 2.5° |
| O34 | C16 | C26 | H26 | 46.3° | 77.7° |
| C28 | C17 | N31 | O35 | 178.6° | 180.0° |
| C17 | C28 | N30 | C21 | 79.9° | 90.0° |
| C28 | C17 | N31 | C22 | 2.5° | 0.0° |
| C28 | C17 | N31 | C24 | 177.7° | 179.9° |
| C17 | C28 | N30 | H28 | 120.0° | 120.0° |
| C17 | C28 | N30 | H28A | 120.0° | 119.9° |
| C17 | C28 | H28 | H28A | 121.1° | 120.0° |
| C17 | N31 | C22 | C25 | 114.2° | 125.0° |
| C17 | N31 | C22 | C24 | 175.6° | 180.0° |
| C17 | N31 | C24 | C27 | 113.0° | 129.6° |
| N31 | C17 | C28 | N30 | 173.8° | 180.0° |
| C17 | N31 | C22 | H22 | 125.8° | 115.5° |
| C17 | N31 | C22 | H22A | 5.8° | 5.5° |
| C17 | N31 | C24 | H24 | 7.0° | 9.4° |
| C17 | N31 | C24 | H24A | 127.0° | 110.2° |
| N31 | C17 | C28 | H28 | 66.1° | 60.0° |
| N31 | C17 | C28 | H28A | 53.9° | 60.1° |
| O35 | C17 | N31 | C22 | 178.9° | 180.0° |
| O35 | C17 | N31 | C24 | 3.6° | 0.0° |
| O35 | C17 | C28 | N30 | 7.5° | 0.1° |
| O35 | C17 | C28 | H28 | 112.5° | 120.0° |
| O35 | C17 | C28 | H28A | 127.5° | 120.0° |
| C19 | C18 | C21 | H18 | 120.0° | 119.8° |
| C19 | C18 | C21 | H18A | 120.0° | 119.7° |
| C18 | C19 | C26 | H19 | 120.0° | 119.8° |
| C18 | C19 | C26 | H19A | 120.0° | 119.8° |
| C19 | C18 | C21 | N30 | 39.1° | 50.8° |
| C18 | C19 | C26 | N32 | 79.4° | 169.0° |
| C19 | C18 | H18 | H18A | 118.7° | 120.4° |
| C18 | C19 | H19 | H19A | 120.1° | 120.6° |
| C19 | C18 | C21 | H21 | 80.9° | 171.0° |
| C19 | C18 | C21 | H21A | 159.1° | 69.5° |
| C18 | C19 | C26 | H26 | 166.4° | 71.3° |
| C21 | C18 | C19 | C26 | 60.8° | 67.6° |
| C18 | C21 | N30 | H21 | 120.0° | 120.2° |
| C18 | C21 | N30 | H21A | 120.0° | 120.3° |
| C18 | C21 | N30 | C28 | 176.8° | 160.9° |
| C21 | C18 | H18 | H18A | 118.7° | 120.4° |
| C21 | C18 | C19 | H19 | 179.2° | 52.2° |
| C21 | C18 | C19 | H19A | 59.2° | 172.7° |
| C18 | C21 | H21 | H21A | 117.8° | 119.5° |
| C19 | C26 | N32 | H26 | 114.7° | 119.8° |
| C19 | C26 | N32 | S38 | 112.1° | 144.5° |
| C26 | C19 | C18 | H18 | 179.2° | 52.2° |
| C26 | C19 | C18 | H18A | 59.2° | 172.7° |
| C26 | C19 | H19 | H19A | 120.1° | 120.5° |
| C19 | C26 | N32 | HN32 | 127.9° | 35.4° |
| C25 | C20 | C27 | H20 | 120.0° | 119.7° |
| C25 | C20 | C27 | H20A | 120.0° | 119.8° |
| C20 | C25 | C22 | H25 | 118.4° | 120.9° |
| C20 | C25 | C22 | N31 | 55.3° | 59.6° |
| C25 | C20 | C27 | C23 | 62.0° | 65.0° |
| C25 | C20 | C27 | C24 | 59.3° | 59.5° |
| C25 | C20 | H20 | H20A | 120.5° | 120.6° |
| C20 | C25 | C22 | H22 | 64.7° | 59.9° |
| C20 | C25 | C22 | H22A | 175.3° | 179.1° |
| C25 | C20 | C27 | H27 | 177.8° | 177.2° |
| C27 | C20 | C25 | C22 | 55.5° | 64.2° |
| C20 | C27 | C23 | C24 | 121.5° | 123.9° |
| C20 | C27 | C23 | H27 | 120.0° | 117.8° |
| C20 | C27 | C23 | N29 | 37.2° | 47.3° |
| C20 | C27 | C24 | H27 | 119.9° | 118.1° |
| C20 | C27 | C24 | N31 | 60.7° | 50.3° |
| C27 | C20 | H20 | H20A | 120.5° | 120.5° |
| C20 | C27 | C23 | H23 | 82.8° | 73.5° |
| C20 | C27 | C23 | H23A | 157.2° | 168.1° |
| C20 | C27 | C24 | H24 | 179.3° | 170.5° |
| C20 | C27 | C24 | H24A | 59.3° | 69.9° |
| C27 | C20 | C25 | H25 | 179.0° | 174.5° |
| N30 | C21 | C18 | H18 | 159.1° | 69.0° |
| N30 | C21 | C18 | H18A | 80.9° | 170.5° |
| N30 | C21 | H21 | H21A | 117.9° | 119.5° |
| C21 | N30 | C28 | H28 | 160.1° | 150.0° |
| C21 | N30 | C28 | H28A | 40.1° | 29.9° |
| C25 | C22 | N31 | H22 | 120.0° | 119.5° |
| C25 | C22 | N31 | H22A | 120.0° | 119.5° |
| C25 | C22 | N31 | C24 | 61.4° | 55.0° |
| C22 | C25 | C20 | H20 | 175.5° | 176.1° |
| C22 | C25 | C20 | H20A | 64.5° | 55.6° |
| C25 | C22 | H22 | H22A | 120.1° | 121.0° |
| C22 | N31 | C24 | C27 | 62.5° | 50.4° |
| N31 | C22 | H22 | H22A | 120.1° | 121.0° |
| C22 | N31 | C24 | H24 | 177.5° | 170.6° |
| C22 | N31 | C24 | H24A | 57.4° | 69.8° |
| N31 | C22 | C25 | H25 | 173.7° | 179.5° |
| C27 | C23 | N29 | H23 | 120.0° | 120.8° |
| C27 | C23 | N29 | H23A | 120.0° | 120.8° |
| C23 | C27 | C24 | H27 | 120.2° | 118.6° |
| C23 | C27 | C24 | N31 | 59.2° | 73.0° |
| C23 | C27 | C20 | H20 | 58.1° | 54.7° |
| C23 | C27 | C20 | H20A | 178.1° | 175.1° |
| C27 | C23 | H23 | H23A | 116.8° | 118.6° |
| C23 | C27 | C24 | H24 | 60.8° | 47.2° |
| C23 | C27 | C24 | H24A | 179.2° | 166.8° |
| N29 | C23 | C27 | C24 | 84.3° | 76.6° |
| N29 | C23 | H23 | H23A | 116.8° | 118.5° |
| N29 | C23 | C27 | H27 | 157.1° | 165.1° |
| C27 | C24 | N31 | H24 | 120.0° | 120.2° |
| C27 | C24 | N31 | H24A | 120.0° | 120.2° |
| C24 | C27 | C20 | H20 | 179.3° | 179.2° |
| C24 | C27 | C20 | H20A | 60.7° | 60.4° |
| C24 | C27 | C23 | H23 | 155.7° | 162.6° |
| C24 | C27 | C23 | H23A | 35.7° | 44.2° |
| C27 | C24 | H24 | H24A | 121.5° | 119.6° |
| C24 | N31 | C22 | H22 | 58.5° | 64.4° |
| C24 | N31 | C22 | H22A | 178.5° | 174.5° |
| N31 | C24 | H24 | H24A | 121.5° | 119.7° |
| N31 | C24 | C27 | H27 | 179.4° | 168.3° |
| C26 | N32 | S38 | HN32 | 120.0° | 179.9° |
| C26 | N32 | S38 | O36 | 50.5° | 48.5° |
| C26 | N32 | S38 | O37 | 178.1° | 178.5° |
| N32 | C26 | C19 | H19 | 40.6° | 49.3° |
| N32 | C26 | C19 | H19A | 160.6° | 71.2° |
| C28 | N30 | C21 | H21 | 63.1° | 40.7° |
| C28 | N30 | C21 | H21A | 56.8° | 78.8° |
| N30 | C28 | H28 | H28A | 121.1° | 120.0° |
| N32 | S38 | O36 | O37 | 122.2° | 123.0° |
| S38 | N32 | C26 | H26 | 2.6° | 24.7° |
| O36 | S38 | N32 | HN32 | 170.5° | 131.4° |
| O37 | S38 | N32 | HN32 | 61.9° | 1.5° |
| H1 | C1 | C3 | H3 | 1.0° | 0.2° |
| H2 | C2 | C4 | H4 | 0.1° | 0.0° |
| H11 | C11 | C12 | H12 | 0.1° | 1.3° |
| H11 | C11 | C13 | H13 | 0.4° | 1.8° |
| H18 | C18 | C19 | H19 | 59.2° | 172.0° |
| H18 | C18 | C19 | H19A | 60.8° | 67.5° |
| H18 | C18 | C21 | H21 | 39.1° | 51.3° |
| H18 | C18 | C21 | H21A | 80.9° | 170.7° |
| H18A | C18 | C19 | H19 | 60.8° | 67.6° |
| H18A | C18 | C19 | H19A | 179.2° | 53.0° |
| H18A | C18 | C21 | H21 | 159.0° | 69.2° |
| H18A | C18 | C21 | H21A | 39.1° | 50.2° |
| H19 | C19 | C26 | H26 | 73.6° | 169.0° |
| H19A | C19 | C26 | H26 | 46.4° | 48.5° |
| H20 | C20 | C25 | H25 | 61.0° | 54.8° |
| H20 | C20 | C27 | H27 | 62.2° | 63.1° |
| H20A | C20 | C25 | H25 | 59.0° | 65.7° |
| H20A | C20 | C27 | H27 | 57.8° | 57.4° |
| H22 | C22 | C25 | H25 | 53.7° | 61.0° |
| H22A | C22 | C25 | H25 | 66.3° | 60.0° |
| H23 | C23 | C27 | H27 | 37.1° | 44.3° |
| H23A | C23 | C27 | H27 | 82.9° | 74.1° |
| H24 | C24 | C27 | H27 | 59.4° | 71.4° |
| H24A | C24 | C27 | H27 | 60.6° | 48.2° |
| H26 | C26 | N32 | HN32 | 117.4° | 155.2° |
