LMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C19 | doub | 1.22Å | 1.22Å | |
| O4 | S1 | doub | 1.42Å | 1.44Å | |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | N2 | sing | 1.66Å | 1.63Å | |
| S1 | C11 | sing | 1.81Å | 1.80Å | |
| C19 | N2 | sing | 1.35Å | 1.34Å | |
| C19 | C8 | sing | 1.48Å | 1.47Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C17 | O1 | sing | 1.36Å | 1.41Å | |
| C17 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| C7 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| O1 | C18 | sing | 1.43Å | 1.42Å | |
| C16 | N1 | sing | 1.40Å | 1.40Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C24 | sing | 1.51Å | 1.49Å | |
| C18 | C12 | sing | 1.54Å | 1.53Å | |
| N1 | C12 | sing | 1.47Å | 1.47Å | |
| N1 | C20 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | C20 | sing | 1.53Å | 1.57Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| C2 | C3 | sing | 1.54Å | 1.58Å | |
| C1 | C4 | sing | 1.54Å | 1.45Å | |
| C3 | C4 | sing | 1.54Å | 1.59Å | |
| C21 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | CL2 | sing | 1.74Å | 1.71Å | |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | CL1 | sing | 1.74Å | 1.73Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C6 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C19 | N2 | 122.2° | 120.0° |
| O2 | C19 | C8 | 123.1° | 120.0° |
| O4 | S1 | O3 | 117.7° | 121.0° |
| O4 | S1 | N2 | 107.1° | 104.3° |
| O4 | S1 | C11 | 104.5° | 110.6° |
| O3 | S1 | N2 | 111.2° | 104.2° |
| O3 | S1 | C11 | 110.9° | 110.6° |
| N2 | S1 | C11 | 104.4° | 104.4° |
| S1 | N2 | C19 | 118.2° | 120.0° |
| S1 | N2 | H24 | 120.9° | 120.1° |
| S1 | C11 | C13 | 114.8° | 109.4° |
| S1 | C11 | H9 | 108.1° | 109.5° |
| S1 | C11 | H10 | 108.1° | 109.5° |
| N2 | C19 | C8 | 114.8° | 120.0° |
| C19 | N2 | H24 | 120.9° | 120.0° |
| C19 | C8 | C9 | 115.8° | 120.1° |
| C19 | C8 | C7 | 124.3° | 120.1° |
| C10 | C9 | C8 | 121.8° | 119.9° |
| C9 | C10 | C17 | 117.8° | 120.4° |
| C10 | C9 | H7 | 119.1° | 120.0° |
| C9 | C10 | H8 | 121.1° | 119.8° |
| C9 | C8 | C7 | 119.8° | 119.8° |
| C8 | C9 | H7 | 119.1° | 120.1° |
| C10 | C17 | O1 | 117.4° | 118.6° |
| C10 | C17 | C16 | 121.9° | 120.1° |
| C17 | C10 | H8 | 121.1° | 119.8° |
| C8 | C7 | C16 | 119.9° | 120.1° |
| C8 | C7 | H6 | 120.0° | 120.0° |
| C11 | C13 | C14 | 109.4° | 109.5° |
| C11 | C13 | C15 | 109.3° | 109.5° |
| C13 | C11 | H9 | 108.1° | 109.5° |
| C13 | C11 | H10 | 108.1° | 109.5° |
| C11 | C13 | H13 | 110.8° | 109.5° |
| C14 | C13 | C15 | 105.6° | 109.4° |
| C14 | C13 | H13 | 111.0° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.5° | 109.4° |
| C13 | C14 | H16 | 109.5° | 109.5° |
| C15 | C13 | H13 | 110.6° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.4° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| O1 | C17 | C16 | 120.7° | 121.3° |
| C17 | O1 | C18 | 116.6° | 116.7° |
| C17 | C16 | C7 | 118.8° | 119.6° |
| C17 | C16 | N1 | 117.9° | 121.9° |
| C7 | C16 | N1 | 123.2° | 118.5° |
| C16 | C7 | H6 | 120.1° | 119.9° |
| O1 | C18 | C24 | 109.4° | 109.8° |
| O1 | C18 | C12 | 109.7° | 107.8° |
| O1 | C18 | H23 | 110.4° | 109.8° |
| C16 | N1 | C12 | 120.5° | 112.2° |
| C16 | N1 | C20 | 120.5° | 111.0° |
| C22 | C23 | C24 | 118.8° | 120.0° |
| C23 | C22 | C21 | 118.6° | 120.0° |
| C23 | C22 | H22 | 120.7° | 120.0° |
| C22 | C23 | H25 | 120.6° | 120.0° |
| C23 | C24 | C18 | 120.9° | 120.0° |
| C23 | C24 | C5 | 119.1° | 120.0° |
| C24 | C23 | H25 | 120.6° | 120.0° |
| C24 | C18 | C12 | 108.9° | 109.7° |
| C18 | C24 | C5 | 119.9° | 120.0° |
| C24 | C18 | H23 | 109.5° | 109.8° |
| C18 | C12 | N1 | 108.5° | 108.6° |
| C18 | C12 | H11 | 109.7° | 109.6° |
| C18 | C12 | H12 | 109.7° | 109.8° |
| C12 | C18 | H23 | 108.9° | 110.0° |
| C12 | N1 | C20 | 119.0° | 111.0° |
| N1 | C12 | H11 | 109.7° | 109.6° |
| N1 | C12 | H12 | 109.7° | 109.6° |
| N1 | C20 | C2 | 109.4° | 109.5° |
| N1 | C20 | H20 | 109.5° | 109.4° |
| N1 | C20 | H21 | 109.5° | 109.4° |
| C22 | C21 | C6 | 124.6° | 120.0° |
| C22 | C21 | CL2 | 120.6° | 120.0° |
| C21 | C22 | H22 | 120.7° | 120.0° |
| C24 | C5 | C6 | 123.5° | 120.0° |
| C24 | C5 | CL1 | 121.8° | 120.0° |
| C20 | C2 | C1 | 120.0° | 113.6° |
| C20 | C2 | C3 | 118.5° | 113.6° |
| C20 | C2 | H3 | 110.4° | 112.8° |
| C2 | C20 | H20 | 109.5° | 109.5° |
| C2 | C20 | H21 | 109.5° | 109.5° |
| C1 | C2 | C3 | 84.6° | 87.1° |
| C2 | C1 | C4 | 94.7° | 87.1° |
| C2 | C1 | H1 | 113.0° | 113.6° |
| C2 | C1 | H2 | 113.0° | 113.7° |
| C1 | C2 | H3 | 110.7° | 113.6° |
| C2 | C3 | C4 | 88.2° | 87.1° |
| C3 | C2 | H3 | 110.3° | 113.7° |
| C2 | C3 | H4 | 114.5° | 113.6° |
| C2 | C3 | H5 | 114.5° | 113.6° |
| C1 | C4 | C3 | 87.5° | 87.1° |
| C4 | C1 | H1 | 113.0° | 113.6° |
| C4 | C1 | H2 | 113.0° | 113.6° |
| C1 | C4 | H27 | 114.6° | 113.6° |
| C1 | C4 | H28 | 114.6° | 113.6° |
| C4 | C3 | H4 | 114.5° | 113.6° |
| C4 | C3 | H5 | 114.5° | 113.6° |
| C3 | C4 | H27 | 114.7° | 113.6° |
| C3 | C4 | H28 | 114.6° | 113.6° |
| C6 | C21 | CL2 | 114.7° | 120.0° |
| C21 | C6 | C5 | 115.4° | 120.0° |
| C21 | C6 | H26 | 122.3° | 120.0° |
| C6 | C5 | CL1 | 114.7° | 120.0° |
| C5 | C6 | H26 | 122.3° | 120.1° |
| H1 | C1 | H2 | 109.5° | 112.9° |
| H4 | C3 | H5 | 109.4° | 113.0° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.6° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H19 | 109.4° | 109.4° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H27 | C4 | H28 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C19 | N2 | S1 | 1.3° | 0.0° |
| O2 | C19 | N2 | C8 | 179.6° | 180.0° |
| O2 | C19 | C8 | C9 | 24.7° | 179.9° |
| O2 | C19 | C8 | C7 | 153.3° | 0.0° |
| O2 | C19 | N2 | H24 | 178.7° | 179.9° |
| O4 | S1 | O3 | N2 | 124.1° | 116.7° |
| O4 | S1 | O3 | C11 | 120.3° | 131.6° |
| O4 | S1 | N2 | C11 | 110.5° | 116.1° |
| O4 | S1 | N2 | C19 | 73.9° | 51.1° |
| O4 | S1 | C11 | C13 | 177.1° | 68.4° |
| O4 | S1 | C11 | H9 | 62.1° | 171.6° |
| O4 | S1 | C11 | H10 | 56.4° | 51.6° |
| O4 | S1 | N2 | H24 | 106.2° | 128.9° |
| O3 | S1 | N2 | C11 | 119.6° | 116.1° |
| O3 | S1 | N2 | C19 | 56.0° | 178.9° |
| O3 | S1 | C11 | C13 | 55.0° | 68.4° |
| O3 | S1 | C11 | H9 | 65.8° | 51.6° |
| O3 | S1 | C11 | H10 | 175.8° | 171.6° |
| O3 | S1 | N2 | H24 | 124.0° | 1.0° |
| S1 | N2 | C19 | H24 | 180.0° | 179.9° |
| S1 | N2 | C19 | C8 | 179.2° | 180.0° |
| N2 | S1 | C11 | C13 | 64.8° | 180.0° |
| N2 | S1 | C11 | H9 | 174.4° | 60.0° |
| N2 | S1 | C11 | H10 | 56.0° | 60.0° |
| C11 | S1 | N2 | C19 | 175.6° | 65.0° |
| S1 | C11 | C13 | H9 | 120.8° | 119.9° |
| S1 | C11 | C13 | H10 | 120.8° | 120.0° |
| S1 | C11 | C13 | C14 | 69.1° | 65.0° |
| S1 | C11 | C13 | C15 | 175.7° | 175.0° |
| S1 | C11 | H9 | H10 | 117.6° | 120.0° |
| S1 | C11 | C13 | H13 | 53.6° | 55.0° |
| C11 | S1 | N2 | H24 | 4.3° | 115.1° |
| N2 | C19 | C8 | C9 | 155.7° | 0.0° |
| N2 | C19 | C8 | C7 | 26.2° | 180.0° |
| C19 | C8 | C9 | C10 | 178.0° | 179.9° |
| C19 | C8 | C9 | C7 | 178.1° | 180.0° |
| C19 | C8 | C7 | C16 | 177.3° | 180.0° |
| C19 | C8 | C7 | H6 | 2.7° | 0.3° |
| C19 | C8 | C9 | H7 | 2.0° | 0.1° |
| C8 | C19 | N2 | H24 | 0.9° | 0.1° |
| C10 | C9 | C8 | H7 | 180.0° | 180.0° |
| C9 | C10 | C17 | H8 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.1° | 0.2° |
| C9 | C10 | C17 | O1 | 179.9° | 179.7° |
| C9 | C10 | C17 | C16 | 0.0° | 0.1° |
| C8 | C9 | C10 | C17 | 0.2° | 0.1° |
| C9 | C8 | C7 | C16 | 0.7° | 0.0° |
| C9 | C8 | C7 | H6 | 179.3° | 179.8° |
| C8 | C9 | C10 | H8 | 179.9° | 179.9° |
| C10 | C17 | O1 | C16 | 179.9° | 179.8° |
| C10 | C17 | C16 | C7 | 0.5° | 0.2° |
| C10 | C17 | O1 | C18 | 160.2° | 165.1° |
| C10 | C17 | C16 | N1 | 175.7° | 179.9° |
| C17 | C10 | C9 | H7 | 179.8° | 179.9° |
| C8 | C7 | C16 | C17 | 0.8° | 0.1° |
| C8 | C7 | C16 | H6 | 180.0° | 179.7° |
| C8 | C7 | C16 | N1 | 175.2° | 180.0° |
| C7 | C8 | C9 | H7 | 179.9° | 179.9° |
| C11 | C13 | C14 | C15 | 117.5° | 120.0° |
| C11 | C13 | C14 | H13 | 122.5° | 120.0° |
| C11 | C13 | C15 | H13 | 122.2° | 120.0° |
| C13 | C11 | H9 | H10 | 117.5° | 120.0° |
| C11 | C13 | C14 | H14 | 180.0° | 60.0° |
| C11 | C13 | C14 | H15 | 60.0° | 180.0° |
| C11 | C13 | C14 | H16 | 60.0° | 60.0° |
| C11 | C13 | C15 | H17 | 180.0° | 60.0° |
| C11 | C13 | C15 | H18 | 60.0° | 180.0° |
| C11 | C13 | C15 | H19 | 60.0° | 60.0° |
| C14 | C13 | C15 | H13 | 120.2° | 120.0° |
| C14 | C13 | C11 | H9 | 170.1° | 175.0° |
| C14 | C13 | C11 | H10 | 51.7° | 55.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H16 | 120.0° | 120.0° |
| C13 | C14 | H15 | H16 | 120.0° | 120.0° |
| C14 | C13 | C15 | H17 | 62.4° | 180.0° |
| C14 | C13 | C15 | H18 | 177.5° | 60.0° |
| C14 | C13 | C15 | H19 | 57.6° | 60.0° |
| C15 | C13 | C11 | H9 | 54.9° | 55.1° |
| C15 | C13 | C11 | H10 | 63.5° | 65.0° |
| C15 | C13 | C14 | H14 | 62.5° | 60.0° |
| C15 | C13 | C14 | H15 | 57.5° | 60.0° |
| C15 | C13 | C14 | H16 | 177.5° | 180.0° |
| C13 | C15 | H17 | H18 | 120.0° | 120.0° |
| C13 | C15 | H17 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H19 | 120.0° | 120.1° |
| O1 | C17 | C16 | C7 | 179.4° | 179.6° |
| O1 | C17 | C16 | N1 | 4.3° | 0.3° |
| C17 | O1 | C18 | C24 | 169.8° | 165.1° |
| C17 | O1 | C18 | C12 | 50.5° | 45.6° |
| O1 | C17 | C10 | H8 | 0.1° | 0.3° |
| C17 | O1 | C18 | H23 | 69.6° | 74.1° |
| C17 | C16 | C7 | N1 | 176.1° | 179.9° |
| C16 | C17 | O1 | C18 | 19.7° | 15.1° |
| C17 | C16 | N1 | C12 | 6.2° | 19.7° |
| C17 | C16 | N1 | C20 | 176.4° | 144.5° |
| C17 | C16 | C7 | H6 | 179.1° | 179.6° |
| C16 | C17 | C10 | H8 | 179.9° | 179.9° |
| C7 | C16 | N1 | C12 | 169.9° | 160.2° |
| C7 | C16 | N1 | C20 | 7.5° | 35.4° |
| O1 | C18 | C24 | C23 | 21.5° | 25.6° |
| O1 | C18 | C24 | C12 | 119.9° | 118.3° |
| O1 | C18 | C24 | H23 | 121.2° | 120.7° |
| O1 | C18 | C12 | H23 | 121.0° | 119.6° |
| O1 | C18 | C12 | N1 | 56.9° | 63.4° |
| O1 | C18 | C24 | C5 | 161.7° | 155.0° |
| O1 | C18 | C12 | H11 | 176.8° | 56.3° |
| O1 | C18 | C12 | H12 | 62.9° | 176.7° |
| C16 | N1 | C12 | C18 | 36.1° | 50.2° |
| C16 | N1 | C12 | C20 | 177.5° | 124.8° |
| C16 | N1 | C20 | C2 | 80.5° | 175.6° |
| N1 | C16 | C7 | H6 | 4.8° | 0.3° |
| C16 | N1 | C12 | H11 | 155.9° | 69.5° |
| C16 | N1 | C12 | H12 | 83.8° | 170.1° |
| C16 | N1 | C20 | H20 | 39.5° | 64.4° |
| C16 | N1 | C20 | H21 | 159.6° | 55.6° |
| C22 | C23 | C24 | H25 | 180.0° | 179.9° |
| C22 | C23 | C24 | C18 | 176.1° | 179.7° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C22 | C23 | C24 | C5 | 0.8° | 0.3° |
| C23 | C22 | C21 | C6 | 0.6° | 0.0° |
| C23 | C22 | C21 | CL2 | 177.6° | 179.7° |
| C23 | C24 | C18 | C5 | 176.8° | 179.4° |
| C23 | C24 | C18 | C12 | 98.4° | 92.7° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C23 | C24 | C5 | C6 | 0.8° | 0.6° |
| C23 | C24 | C5 | CL1 | 178.2° | 179.4° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | C24 | C18 | H23 | 142.7° | 146.3° |
| C24 | C18 | C12 | H23 | 119.3° | 120.8° |
| C24 | C18 | C12 | N1 | 176.7° | 177.0° |
| C18 | C24 | C5 | C6 | 176.1° | 180.0° |
| C18 | C24 | C5 | CL1 | 4.9° | 0.0° |
| C24 | C18 | C12 | H11 | 63.5° | 63.3° |
| C24 | C18 | C12 | H12 | 56.8° | 57.2° |
| C18 | C24 | C23 | H25 | 3.9° | 0.2° |
| C18 | C12 | N1 | H11 | 119.8° | 119.7° |
| C18 | C12 | N1 | H12 | 119.9° | 119.9° |
| C18 | C12 | N1 | C20 | 146.4° | 174.9° |
| C12 | C18 | C24 | C5 | 78.5° | 86.7° |
| C18 | C12 | H11 | H12 | 120.5° | 120.5° |
| C12 | N1 | C20 | C2 | 97.0° | 50.1° |
| N1 | C12 | H11 | H12 | 120.4° | 120.4° |
| C12 | N1 | C20 | H20 | 143.0° | 170.2° |
| C12 | N1 | C20 | H21 | 22.9° | 69.8° |
| N1 | C12 | C18 | H23 | 64.0° | 56.2° |
| N1 | C20 | C2 | H20 | 120.0° | 120.0° |
| N1 | C20 | C2 | H21 | 120.0° | 119.9° |
| N1 | C20 | C2 | C1 | 67.6° | 173.9° |
| N1 | C20 | C2 | C3 | 168.6° | 88.5° |
| N1 | C20 | C2 | H3 | 62.9° | 42.8° |
| C20 | N1 | C12 | H11 | 26.6° | 55.3° |
| C20 | N1 | C12 | H12 | 93.7° | 65.1° |
| N1 | C20 | H20 | H21 | 120.1° | 120.0° |
| C22 | C21 | C6 | CL2 | 178.3° | 179.7° |
| C22 | C21 | C6 | C5 | 0.6° | 0.3° |
| C21 | C22 | C23 | H25 | 179.9° | 180.0° |
| C22 | C21 | C6 | H26 | 179.4° | 179.7° |
| C24 | C5 | C6 | C21 | 0.1° | 0.6° |
| C24 | C5 | C6 | CL1 | 179.1° | 180.0° |
| C5 | C24 | C18 | H23 | 40.5° | 34.3° |
| C5 | C24 | C23 | H25 | 179.2° | 179.7° |
| C24 | C5 | C6 | H26 | 179.9° | 179.4° |
| C20 | C2 | C1 | C3 | 119.9° | 114.6° |
| C20 | C2 | C1 | H3 | 130.4° | 130.8° |
| C20 | C2 | C3 | H3 | 128.6° | 130.9° |
| C20 | C2 | C1 | C4 | 137.3° | 140.0° |
| C20 | C2 | C3 | C4 | 137.1° | 140.0° |
| C20 | C2 | C1 | H1 | 19.9° | 25.5° |
| C20 | C2 | C1 | H2 | 105.2° | 105.4° |
| C20 | C2 | C3 | H4 | 106.7° | 105.5° |
| C20 | C2 | C3 | H5 | 20.9° | 25.5° |
| C2 | C20 | H20 | H21 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 110.1° | 114.5° |
| C2 | C1 | C4 | H1 | 117.5° | 114.5° |
| C2 | C1 | C4 | H2 | 117.5° | 114.7° |
| C1 | C2 | C3 | C4 | 15.8° | 25.4° |
| C2 | C1 | H1 | H2 | 127.0° | 131.3° |
| C1 | C2 | C3 | H4 | 132.0° | 139.9° |
| C1 | C2 | C3 | H5 | 100.4° | 89.1° |
| C1 | C2 | C20 | H20 | 172.4° | 54.0° |
| C1 | C2 | C20 | H21 | 52.4° | 66.1° |
| C2 | C1 | C4 | H27 | 133.3° | 140.0° |
| C2 | C1 | C4 | H28 | 98.8° | 89.2° |
| C2 | C3 | C4 | H4 | 116.2° | 114.5° |
| C2 | C3 | C4 | H5 | 116.2° | 114.5° |
| C3 | C2 | C1 | H1 | 100.0° | 89.1° |
| C3 | C2 | C1 | H2 | 134.9° | 140.0° |
| C2 | C3 | H4 | H5 | 130.1° | 131.3° |
| C3 | C2 | C20 | H20 | 71.5° | 151.5° |
| C3 | C2 | C20 | H21 | 48.6° | 31.4° |
| C2 | C3 | C4 | H27 | 132.9° | 140.0° |
| C2 | C3 | C4 | H28 | 99.2° | 89.1° |
| C1 | C4 | C3 | H27 | 116.1° | 114.6° |
| C1 | C4 | C3 | H28 | 116.0° | 114.5° |
| C4 | C1 | H1 | H2 | 126.9° | 131.2° |
| C4 | C1 | C2 | H3 | 92.3° | 89.3° |
| C1 | C4 | C3 | H4 | 133.0° | 139.9° |
| C1 | C4 | C3 | H5 | 99.4° | 89.1° |
| C1 | C4 | H27 | H28 | 130.4° | 131.2° |
| C3 | C4 | C1 | H1 | 100.2° | 89.1° |
| C3 | C4 | C1 | H2 | 134.7° | 140.1° |
| C4 | C3 | C2 | H3 | 94.3° | 89.1° |
| C4 | C3 | H4 | H5 | 130.2° | 131.3° |
| C3 | C4 | H27 | H28 | 130.5° | 131.2° |
| C21 | C6 | C5 | H26 | 180.0° | 180.0° |
| C21 | C6 | C5 | CL1 | 179.0° | 179.4° |
| C6 | C21 | C22 | H22 | 179.4° | 180.0° |
| CL2 | C21 | C6 | C5 | 177.7° | 180.0° |
| CL2 | C21 | C22 | H22 | 2.4° | 0.3° |
| CL2 | C21 | C6 | H26 | 2.3° | 0.0° |
| CL1 | C5 | C6 | H26 | 1.0° | 0.6° |
| H1 | C1 | C2 | H3 | 150.3° | 156.2° |
| H1 | C1 | C4 | H27 | 15.8° | 25.4° |
| H1 | C1 | C4 | H28 | 143.7° | 156.3° |
| H2 | C1 | C2 | H3 | 25.2° | 25.3° |
| H2 | C1 | C4 | H27 | 109.2° | 105.4° |
| H2 | C1 | C4 | H28 | 18.7° | 25.5° |
| H3 | C2 | C3 | H4 | 21.9° | 25.4° |
| H3 | C2 | C3 | H5 | 149.4° | 156.4° |
| H3 | C2 | C20 | H20 | 57.1° | 77.2° |
| H3 | C2 | C20 | H21 | 177.1° | 162.8° |
| H4 | C3 | C4 | H27 | 110.9° | 105.5° |
| H4 | C3 | C4 | H28 | 17.0° | 25.4° |
| H5 | C3 | C4 | H27 | 16.7° | 25.5° |
| H5 | C3 | C4 | H28 | 144.6° | 156.4° |
| H7 | C9 | C10 | H8 | 0.1° | 0.0° |
| H9 | C11 | C13 | H13 | 67.2° | 65.0° |
| H10 | C11 | C13 | H13 | 174.4° | 175.0° |
| H11 | C12 | C18 | H23 | 55.8° | 175.9° |
| H12 | C12 | C18 | H23 | 176.1° | 63.7° |
| H13 | C13 | C14 | H14 | 57.5° | NaN° |
| H13 | C13 | C14 | H15 | 177.5° | 60.0° |
| H13 | C13 | C14 | H16 | 62.6° | 60.0° |
| H13 | C13 | C15 | H17 | 57.8° | 60.0° |
| H13 | C13 | C15 | H18 | 62.2° | 59.9° |
| H13 | C13 | C15 | H19 | 177.8° | 180.0° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| H22 | C22 | C23 | H25 | 0.1° | 0.0° |
