4LI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C16 | sing | 1.48Å | 1.46Å | |
| C9 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C25 | sing | 1.51Å | 1.49Å | |
| C10 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N31 | sing | 1.40Å | 1.41Å | |
| C11 | N34 | sing | 1.39Å | 1.40Å | |
| C12 | CL40 | sing | 1.74Å | 1.72Å | |
| C13 | N28 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | N29 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | N32 | sing | 1.38Å | 1.40Å | |
| C14 | N28 | sing | 1.33Å | 1.33Å | Aromatic |
| C14 | N30 | doub | 1.33Å | 1.33Å | Aromatic |
| C14 | N33 | sing | 1.38Å | 1.41Å | |
| C15 | N29 | doub | 1.33Å | 1.34Å | Aromatic |
| C15 | N30 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N34 | sing | 1.38Å | 1.40Å | |
| C16 | N35 | sing | 1.35Å | 1.36Å | |
| C16 | O37 | doub | 1.22Å | 1.22Å | |
| C17 | C24 | sing | 1.51Å | 1.50Å | |
| C17 | N36 | sing | 1.35Å | 1.37Å | |
| C17 | O38 | doub | 1.21Å | 1.22Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | N31 | sing | 1.47Å | 1.45Å | |
| C19 | C21 | sing | 1.53Å | 1.51Å | |
| C19 | N31 | sing | 1.47Å | 1.45Å | |
| C20 | N32 | sing | 1.47Å | 1.44Å | |
| C21 | N32 | sing | 1.47Å | 1.45Å | |
| C22 | C24 | sing | 1.55Å | 1.51Å | |
| C22 | S39 | sing | 1.84Å | 1.81Å | |
| C23 | N33 | sing | 1.48Å | 1.45Å | |
| C23 | S39 | sing | 1.84Å | 1.81Å | |
| C24 | N33 | sing | 1.46Å | 1.45Å | |
| C26 | N35 | sing | 1.46Å | 1.44Å | |
| C27 | N36 | sing | 1.47Å | 1.44Å | |
| 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 | |
| C7 | H7 | 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 | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.4° | 120.1° |
| C1 | C2 | C7 | 119.6° | 120.1° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C2 | H2 | 120.2° | 119.9° |
| C1 | C6 | C10 | 120.4° | 119.9° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C1 | C6 | H6 | 119.8° | 120.0° |
| C2 | C7 | C12 | 119.7° | 120.1° |
| C7 | C2 | H2 | 120.2° | 119.9° |
| C2 | C7 | H7 | 120.1° | 120.0° |
| C4 | C3 | C5 | 120.0° | 120.3° |
| C3 | C4 | C8 | 118.6° | 119.9° |
| C4 | C3 | H3 | 120.0° | 119.9° |
| C3 | C4 | H4 | 120.7° | 120.0° |
| C3 | C5 | C9 | 120.7° | 120.4° |
| C5 | C3 | H3 | 120.0° | 119.8° |
| C3 | C5 | H5 | 119.7° | 119.8° |
| C4 | C8 | C11 | 122.2° | 119.7° |
| C4 | C8 | C16 | 117.7° | 120.2° |
| C8 | C4 | H4 | 120.7° | 120.1° |
| C5 | C9 | C11 | 120.0° | 120.1° |
| C5 | C9 | C25 | 119.8° | 119.9° |
| C9 | C5 | H5 | 119.6° | 119.8° |
| C6 | C10 | C12 | 118.7° | 119.9° |
| C6 | C10 | N31 | 121.2° | 120.0° |
| C10 | C6 | H6 | 119.8° | 120.1° |
| C7 | C12 | C10 | 121.2° | 119.9° |
| C7 | C12 | CL40 | 119.5° | 120.0° |
| C12 | C7 | H7 | 120.2° | 119.9° |
| C11 | C8 | C16 | 120.0° | 120.2° |
| C8 | C11 | C9 | 118.4° | 119.6° |
| C8 | C11 | N34 | 121.7° | 120.2° |
| C8 | C16 | N35 | 113.5° | 120.0° |
| C8 | C16 | O37 | 120.0° | 120.0° |
| C11 | C9 | C25 | 120.2° | 120.0° |
| C9 | C11 | N34 | 119.8° | 120.1° |
| C9 | C25 | H25 | 109.5° | 109.5° |
| C9 | C25 | H25A | 109.5° | 109.5° |
| C9 | C25 | H25B | 109.5° | 109.5° |
| C12 | C10 | N31 | 120.0° | 120.1° |
| C10 | C12 | CL40 | 119.3° | 120.0° |
| C10 | N31 | C18 | 109.6° | 111.0° |
| C10 | N31 | C19 | 108.3° | 111.0° |
| C11 | N34 | C15 | 119.3° | 120.0° |
| C11 | N34 | HN34 | 120.3° | 120.0° |
| N28 | C13 | N29 | 123.4° | 120.0° |
| N28 | C13 | N32 | 117.0° | 120.0° |
| C13 | N28 | C14 | 117.3° | 119.9° |
| N29 | C13 | N32 | 119.6° | 120.0° |
| C13 | N29 | C15 | 115.7° | 120.0° |
| C13 | N32 | C20 | 115.6° | 111.0° |
| C13 | N32 | C21 | 112.7° | 111.0° |
| N28 | C14 | N30 | 122.9° | 120.0° |
| N28 | C14 | N33 | 118.9° | 120.0° |
| N30 | C14 | N33 | 118.1° | 120.0° |
| C14 | N30 | C15 | 116.4° | 120.0° |
| C14 | N33 | C23 | 109.9° | 111.0° |
| C14 | N33 | C24 | 110.3° | 111.0° |
| N29 | C15 | N30 | 124.2° | 119.9° |
| N29 | C15 | N34 | 118.5° | 120.0° |
| N30 | C15 | N34 | 117.3° | 120.0° |
| C15 | N34 | HN34 | 120.4° | 120.0° |
| N35 | C16 | O37 | 126.5° | 120.0° |
| C16 | N35 | C26 | 120.0° | 120.0° |
| C16 | N35 | HN35 | 120.0° | 120.0° |
| C24 | C17 | N36 | 113.3° | 120.0° |
| C24 | C17 | O38 | 122.9° | 120.0° |
| C17 | C24 | C22 | 110.1° | 108.8° |
| C17 | C24 | N33 | 108.4° | 108.8° |
| C17 | C24 | H24 | 109.1° | 108.7° |
| N36 | C17 | O38 | 123.8° | 120.0° |
| C17 | N36 | C27 | 118.7° | 120.0° |
| C17 | N36 | HN36 | 120.6° | 120.0° |
| C20 | C18 | N31 | 108.1° | 109.4° |
| C18 | C20 | N32 | 106.1° | 109.3° |
| C20 | C18 | H18 | 109.9° | 109.5° |
| C20 | C18 | H18A | 109.9° | 109.4° |
| C18 | C20 | H20 | 110.6° | 109.5° |
| C18 | C20 | H20A | 110.6° | 109.5° |
| C18 | N31 | C19 | 114.7° | 110.9° |
| N31 | C18 | H18 | 109.9° | 109.5° |
| N31 | C18 | H18A | 109.9° | 109.5° |
| C21 | C19 | N31 | 110.3° | 109.3° |
| C19 | C21 | N32 | 107.3° | 109.3° |
| C21 | C19 | H19 | 109.2° | 109.5° |
| C21 | C19 | H19A | 109.2° | 109.5° |
| C19 | C21 | H21 | 110.2° | 109.5° |
| C19 | C21 | H21A | 110.2° | 109.5° |
| N31 | C19 | H19 | 109.2° | 109.5° |
| N31 | C19 | H19A | 109.2° | 109.5° |
| C20 | N32 | C21 | 115.8° | 110.9° |
| N32 | C20 | H20 | 110.6° | 109.5° |
| N32 | C20 | H20A | 110.6° | 109.5° |
| N32 | C21 | H21 | 110.2° | 109.4° |
| N32 | C21 | H21A | 110.2° | 109.5° |
| C24 | C22 | S39 | 105.6° | 101.4° |
| C22 | C24 | N33 | 107.3° | 113.1° |
| C24 | C22 | H22 | 110.8° | 111.0° |
| C24 | C22 | H22A | 110.8° | 111.1° |
| C22 | C24 | H24 | 110.2° | 108.7° |
| C22 | S39 | C23 | 93.1° | 93.9° |
| S39 | C22 | H22 | 110.8° | 111.0° |
| S39 | C22 | H22A | 110.8° | 111.0° |
| N33 | C23 | S39 | 107.9° | 102.6° |
| C23 | N33 | C24 | 113.7° | 115.0° |
| N33 | C23 | H23 | 110.0° | 110.8° |
| N33 | C23 | H23A | 110.0° | 110.8° |
| S39 | C23 | H23 | 110.0° | 110.8° |
| S39 | C23 | H23A | 110.0° | 110.7° |
| N33 | C24 | H24 | 111.7° | 108.7° |
| N35 | C26 | H26 | 109.5° | 109.5° |
| N35 | C26 | H26A | 109.5° | 109.4° |
| N35 | C26 | H26B | 109.5° | 109.4° |
| C26 | N35 | HN35 | 120.0° | 120.0° |
| N36 | C27 | H27 | 109.5° | 109.4° |
| N36 | C27 | H27A | 109.5° | 109.5° |
| N36 | C27 | H27B | 109.5° | 109.5° |
| C27 | N36 | HN36 | 120.7° | 120.0° |
| H18 | C18 | H18A | 109.0° | 109.5° |
| H19 | C19 | H19A | 109.7° | 109.5° |
| H20 | C20 | H20A | 108.3° | 109.5° |
| H21 | C21 | H21A | 108.7° | 109.6° |
| H22 | C22 | H22A | 108.1° | 111.0° |
| H23 | C23 | H23A | 108.9° | 110.9° |
| H25 | C25 | H25A | 109.5° | 109.4° |
| H25 | C25 | H25B | 109.4° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C7 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | C10 | 0.1° | 0.0° |
| C1 | C2 | C7 | C12 | 0.0° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C1 | C2 | C7 | H7 | 180.0° | 180.0° |
| C6 | C1 | C2 | C7 | 0.1° | 0.0° |
| C1 | C6 | C10 | H6 | 180.0° | 179.9° |
| C1 | C6 | C10 | C12 | 0.1° | 0.0° |
| C1 | C6 | C10 | N31 | 180.0° | 180.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C2 | C7 | C12 | H7 | 180.0° | 180.0° |
| C2 | C7 | C12 | C10 | 0.0° | 0.0° |
| C2 | C7 | C12 | CL40 | 180.0° | 180.0° |
| C7 | C2 | C1 | H1 | 180.0° | 179.7° |
| C4 | C3 | C5 | H3 | 180.0° | 179.7° |
| C3 | C4 | C8 | H4 | 180.0° | 180.0° |
| C4 | C3 | C5 | C9 | 0.1° | 0.1° |
| C3 | C4 | C8 | C11 | 0.2° | 0.0° |
| C3 | C4 | C8 | C16 | 179.8° | 180.0° |
| C4 | C3 | C5 | H5 | 179.9° | 179.9° |
| C5 | C3 | C4 | C8 | 0.2° | 0.0° |
| C3 | C5 | C9 | H5 | 180.0° | 179.9° |
| C3 | C5 | C9 | C11 | 0.1° | 0.1° |
| C3 | C5 | C9 | C25 | 179.9° | 180.0° |
| C5 | C3 | C4 | H4 | 179.8° | 180.0° |
| C4 | C8 | C11 | C16 | 179.6° | 179.9° |
| C4 | C8 | C11 | C9 | 0.1° | 0.0° |
| C4 | C8 | C11 | N34 | 179.9° | 180.0° |
| C4 | C8 | C16 | N35 | 85.2° | 2.4° |
| C4 | C8 | C16 | O37 | 94.1° | 177.6° |
| C8 | C4 | C3 | H3 | 179.8° | 179.7° |
| C5 | C9 | C11 | C8 | 0.1° | 0.0° |
| C5 | C9 | C11 | C25 | 179.9° | 180.0° |
| C5 | C9 | C11 | N34 | 179.9° | 180.0° |
| C9 | C5 | C3 | H3 | 179.9° | 179.7° |
| C5 | C9 | C25 | H25 | 90.0° | 93.5° |
| C5 | C9 | C25 | H25A | 150.0° | 146.5° |
| C5 | C9 | C25 | H25B | 30.0° | 26.5° |
| C6 | C10 | C12 | C7 | 0.0° | 0.0° |
| C6 | C10 | C12 | N31 | 180.0° | 180.0° |
| C6 | C10 | C12 | CL40 | 180.0° | 180.0° |
| C6 | C10 | N31 | C18 | 29.6° | 60.0° |
| C6 | C10 | N31 | C19 | 96.2° | 63.8° |
| C10 | C6 | C1 | H1 | 179.9° | 179.7° |
| C7 | C12 | C10 | CL40 | 180.0° | 180.0° |
| C7 | C12 | C10 | N31 | 180.0° | 180.0° |
| C12 | C7 | C2 | H2 | 180.0° | 180.0° |
| C8 | C11 | C9 | N34 | 180.0° | 180.0° |
| C8 | C11 | C9 | C25 | 179.9° | 180.0° |
| C8 | C11 | N34 | C15 | 103.5° | 110.9° |
| C11 | C8 | C16 | N35 | 95.2° | 177.6° |
| C11 | C8 | C16 | O37 | 85.5° | 2.5° |
| C11 | C8 | C4 | H4 | 179.8° | 180.0° |
| C8 | C11 | N34 | HN34 | 76.5° | 69.0° |
| C16 | C8 | C11 | C9 | 179.7° | 180.0° |
| C16 | C8 | C11 | N34 | 0.3° | 0.0° |
| C8 | C16 | N35 | O37 | 179.3° | 180.0° |
| C8 | C16 | N35 | C26 | 175.7° | 180.0° |
| C16 | C8 | C4 | H4 | 0.2° | 0.1° |
| C8 | C16 | N35 | HN35 | 4.4° | 0.1° |
| C9 | C11 | N34 | C15 | 76.5° | 69.1° |
| C11 | C9 | C5 | H5 | 179.9° | 179.9° |
| C11 | C9 | C25 | H25 | 90.0° | 86.5° |
| C11 | C9 | C25 | H25A | 30.0° | 33.4° |
| C11 | C9 | C25 | H25B | 150.1° | 153.4° |
| C9 | C11 | N34 | HN34 | 103.5° | 111.0° |
| C25 | C9 | C11 | N34 | 0.1° | 0.0° |
| C25 | C9 | C5 | H5 | 0.1° | 0.1° |
| C9 | C25 | H25 | H25A | 120.0° | 120.0° |
| C9 | C25 | H25 | H25B | 120.0° | 120.0° |
| C9 | C25 | H25A | H25B | 120.0° | 120.0° |
| C12 | C10 | N31 | C18 | 150.4° | 120.0° |
| C12 | C10 | N31 | C19 | 83.8° | 116.2° |
| C12 | C10 | C6 | H6 | 179.9° | 180.0° |
| C10 | C12 | C7 | H7 | 180.0° | 180.0° |
| N31 | C10 | C12 | CL40 | 0.0° | 0.0° |
| C10 | N31 | C18 | C20 | 179.3° | 176.8° |
| C10 | N31 | C18 | C19 | 122.1° | 123.9° |
| C10 | N31 | C19 | C21 | 178.4° | 176.8° |
| N31 | C10 | C6 | H6 | 0.1° | 0.0° |
| C10 | N31 | C18 | H18 | 60.7° | 63.2° |
| C10 | N31 | C18 | H18A | 59.3° | 56.8° |
| C10 | N31 | C19 | H19 | 61.6° | 56.9° |
| C10 | N31 | C19 | H19A | 58.4° | 63.2° |
| C11 | N34 | C15 | N29 | 2.7° | 1.2° |
| C11 | N34 | C15 | N30 | 177.2° | 178.9° |
| C11 | N34 | C15 | HN34 | 180.0° | 179.9° |
| CL40 | C12 | C7 | H7 | 0.0° | 0.0° |
| N28 | C13 | N29 | N32 | 178.9° | 179.7° |
| C13 | N28 | C14 | N30 | 0.2° | 0.1° |
| C13 | N28 | C14 | N33 | 179.5° | 180.0° |
| N28 | C13 | N29 | C15 | 0.5° | 0.0° |
| N28 | C13 | N32 | C20 | 156.5° | 169.5° |
| N28 | C13 | N32 | C21 | 20.2° | 66.7° |
| N29 | C13 | N28 | C14 | 0.2° | 0.0° |
| C13 | N29 | C15 | N30 | 0.5° | 0.0° |
| C13 | N29 | C15 | N34 | 179.7° | 180.0° |
| N29 | C13 | N32 | C20 | 24.6° | 10.8° |
| N29 | C13 | N32 | C21 | 160.9° | 113.0° |
| N32 | C13 | N28 | C14 | 179.2° | 179.7° |
| N32 | C13 | N29 | C15 | 179.4° | 179.7° |
| C13 | N32 | C20 | C18 | 162.1° | 176.8° |
| C13 | N32 | C21 | C19 | 164.3° | 176.8° |
| C13 | N32 | C20 | C21 | 135.0° | 123.8° |
| C13 | N32 | C20 | H20 | 77.9° | 63.2° |
| C13 | N32 | C20 | H20A | 42.1° | 56.9° |
| C13 | N32 | C21 | H21 | 44.3° | 56.9° |
| C13 | N32 | C21 | H21A | 75.6° | 63.2° |
| N28 | C14 | N30 | N33 | 179.6° | 179.9° |
| N28 | C14 | N30 | C15 | 0.2° | 0.1° |
| N28 | C14 | N33 | C23 | 148.8° | 59.8° |
| N28 | C14 | N33 | C24 | 22.8° | 171.0° |
| C14 | N30 | C15 | N29 | 0.2° | 0.0° |
| C14 | N30 | C15 | N34 | 180.0° | 179.9° |
| N30 | C14 | N33 | C23 | 31.5° | 120.1° |
| N30 | C14 | N33 | C24 | 157.6° | 9.1° |
| N33 | C14 | N30 | C15 | 179.5° | 180.0° |
| C14 | N33 | C24 | C17 | 82.3° | 111.0° |
| C14 | N33 | C24 | C22 | 158.8° | 128.0° |
| C14 | N33 | C23 | C24 | 124.1° | 127.0° |
| C14 | N33 | C23 | S39 | 140.8° | 151.9° |
| C14 | N33 | C23 | H23 | 20.7° | 33.6° |
| C14 | N33 | C23 | H23A | 99.2° | 90.0° |
| C14 | N33 | C24 | H24 | 37.9° | 7.2° |
| N29 | C15 | N30 | N34 | 179.8° | 180.0° |
| N29 | C15 | N34 | HN34 | 177.3° | 178.7° |
| N30 | C15 | N34 | HN34 | 2.9° | 1.2° |
| C16 | N35 | C26 | HN35 | 180.0° | 179.9° |
| C16 | N35 | C26 | H26 | 180.0° | 60.0° |
| C16 | N35 | C26 | H26A | 60.0° | 180.0° |
| C16 | N35 | C26 | H26B | 60.0° | 60.0° |
| O37 | C16 | N35 | C26 | 3.6° | 0.0° |
| O37 | C16 | N35 | HN35 | 176.4° | 180.0° |
| C24 | C17 | N36 | O38 | 179.2° | 180.0° |
| C17 | C24 | C22 | N33 | 117.8° | 121.0° |
| C17 | C24 | C22 | H24 | 120.3° | 118.2° |
| C17 | C24 | C22 | S39 | 153.8° | 97.7° |
| C17 | C24 | N33 | C23 | 153.7° | 122.0° |
| C17 | C24 | N33 | H24 | 120.3° | 118.2° |
| C24 | C17 | N36 | C27 | 178.7° | 180.0° |
| C17 | C24 | C22 | H22 | 33.8° | 20.2° |
| C17 | C24 | C22 | H22A | 86.2° | 144.2° |
| C24 | C17 | N36 | HN36 | 1.3° | 0.0° |
| N36 | C17 | C24 | C22 | 102.4° | 61.5° |
| N36 | C17 | C24 | N33 | 14.8° | 174.9° |
| C17 | N36 | C27 | HN36 | 180.0° | 180.0° |
| N36 | C17 | C24 | H24 | 136.7° | 56.8° |
| C17 | N36 | C27 | H27 | 180.0° | 60.0° |
| C17 | N36 | C27 | H27A | 60.0° | 60.0° |
| C17 | N36 | C27 | H27B | 60.0° | 180.0° |
| O38 | C17 | C24 | C22 | 78.4° | 118.6° |
| O38 | C17 | C24 | N33 | 164.5° | 5.0° |
| O38 | C17 | N36 | C27 | 0.6° | 0.0° |
| O38 | C17 | C24 | H24 | 42.6° | 123.2° |
| O38 | C17 | N36 | HN36 | 179.5° | 180.0° |
| C20 | C18 | N31 | H18 | 120.0° | 120.0° |
| C20 | C18 | N31 | H18A | 120.0° | 119.9° |
| C20 | C18 | N31 | C19 | 58.6° | 59.4° |
| C18 | C20 | N32 | H20 | 120.0° | 120.0° |
| C18 | C20 | N32 | H20A | 120.0° | 120.0° |
| C18 | C20 | N32 | C21 | 62.9° | 59.3° |
| C20 | C18 | H18 | H18A | 120.6° | 120.0° |
| C18 | C20 | H20 | H20A | 121.3° | 120.1° |
| C18 | N31 | C19 | C21 | 55.7° | 59.4° |
| N31 | C18 | C20 | N32 | 57.8° | 58.4° |
| N31 | C18 | H18 | H18A | 120.6° | 120.1° |
| C18 | N31 | C19 | H19 | 175.7° | 179.3° |
| C18 | N31 | C19 | H19A | 64.3° | 60.6° |
| N31 | C18 | C20 | H20 | 62.2° | 61.6° |
| N31 | C18 | C20 | H20A | 177.8° | 178.3° |
| C21 | C19 | N31 | H19 | 120.0° | 119.9° |
| C21 | C19 | N31 | H19A | 120.0° | 120.0° |
| C19 | C21 | N32 | C20 | 59.4° | 59.4° |
| C19 | C21 | N32 | H21 | 120.0° | 119.9° |
| C19 | C21 | N32 | H21A | 120.0° | 120.0° |
| C21 | C19 | H19 | H19A | 119.7° | 120.1° |
| C19 | C21 | H21 | H21A | 120.9° | 120.2° |
| N31 | C19 | C21 | N32 | 51.5° | 58.4° |
| C19 | N31 | C18 | H18 | 61.4° | 60.6° |
| C19 | N31 | C18 | H18A | 178.6° | 179.3° |
| N31 | C19 | H19 | H19A | 119.7° | 120.1° |
| N31 | C19 | C21 | H21 | 171.6° | 178.3° |
| N31 | C19 | C21 | H21A | 68.5° | 61.5° |
| N32 | C20 | C18 | H18 | 62.2° | 61.6° |
| N32 | C20 | C18 | H18A | 177.8° | 178.4° |
| N32 | C20 | H20 | H20A | 121.4° | 120.1° |
| C20 | N32 | C21 | H21 | 179.4° | 179.3° |
| C20 | N32 | C21 | H21A | 60.6° | 60.6° |
| N32 | C21 | C19 | H19 | 171.6° | 178.4° |
| N32 | C21 | C19 | H19A | 68.5° | 61.6° |
| C21 | N32 | C20 | H20 | 57.1° | 60.6° |
| C21 | N32 | C20 | H20A | 177.1° | 179.3° |
| N32 | C21 | H21 | H21A | 120.9° | 120.0° |
| C24 | C22 | S39 | H22 | 120.0° | 118.0° |
| C24 | C22 | S39 | H22A | 120.0° | 118.0° |
| C22 | C24 | N33 | C23 | 34.9° | 1.0° |
| C24 | C22 | S39 | C23 | 23.5° | 32.4° |
| C22 | C24 | N33 | H24 | 120.9° | 120.8° |
| C24 | C22 | H22 | H22A | 121.6° | 124.0° |
| C22 | S39 | C23 | N33 | 5.0° | 33.5° |
| S39 | C22 | C24 | N33 | 36.0° | 23.2° |
| S39 | C22 | H22 | H22A | 121.6° | 124.0° |
| C22 | S39 | C23 | H23 | 125.0° | 84.8° |
| C22 | S39 | C23 | H23A | 115.0° | 151.8° |
| S39 | C22 | C24 | H24 | 85.9° | 144.0° |
| N33 | C23 | S39 | H23 | 120.0° | 118.3° |
| N33 | C23 | S39 | H23A | 120.0° | 118.3° |
| N33 | C23 | H23 | H23A | 120.6° | 123.4° |
| C23 | N33 | C24 | H24 | 86.0° | 119.8° |
| S39 | C23 | N33 | C24 | 16.6° | 24.8° |
| C23 | S39 | C22 | H22 | 96.5° | 150.4° |
| C23 | S39 | C22 | H22A | 143.5° | 85.6° |
| S39 | C23 | H23 | H23A | 120.6° | 123.3° |
| N33 | C24 | C22 | H22 | 84.0° | 141.2° |
| N33 | C24 | C22 | H22A | 156.0° | 94.8° |
| C24 | N33 | C23 | H23 | 103.4° | 93.5° |
| C24 | N33 | C23 | H23A | 136.6° | 143.0° |
| N35 | C26 | H26 | H26A | 120.0° | 119.9° |
| N35 | C26 | H26 | H26B | 120.0° | 120.0° |
| N35 | C26 | H26A | H26B | 120.0° | 119.9° |
| N36 | C27 | H27 | H27A | 120.0° | 120.0° |
| N36 | C27 | H27 | H27B | 120.0° | 120.0° |
| N36 | C27 | H27A | H27B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.3° |
| H1 | C1 | C6 | H6 | 0.1° | 0.3° |
| H2 | C2 | C7 | H7 | 0.0° | 0.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.3° |
| H3 | C3 | C5 | H5 | 0.1° | 0.4° |
| H18 | C18 | C20 | H20 | 177.8° | 178.5° |
| H18 | C18 | C20 | H20A | 57.8° | 58.4° |
| H18A | C18 | C20 | H20 | 57.8° | 58.4° |
| H18A | C18 | C20 | H20A | 62.2° | 61.7° |
| H19 | C19 | C21 | H21 | 68.4° | 61.8° |
| H19 | C19 | C21 | H21A | 51.5° | 58.4° |
| H19A | C19 | C21 | H21 | 51.6° | 58.3° |
| H19A | C19 | C21 | H21A | 171.5° | 178.5° |
| H22 | C22 | C24 | H24 | 154.2° | 98.0° |
| H22A | C22 | C24 | H24 | 34.1° | 26.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.1° |
| H26 | C26 | N35 | HN35 | 0.0° | 119.9° |
| H26A | C26 | N35 | HN35 | 120.0° | 0.1° |
| H26B | C26 | N35 | HN35 | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| H27 | C27 | N36 | HN36 | 0.0° | 120.0° |
| H27A | C27 | N36 | HN36 | 120.0° | 120.0° |
| H27B | C27 | N36 | HN36 | 120.0° | 0.0° |
